smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812357 720073001 /nfs/dbraw/zinc/07/30/01/720073001.db2.gz QTLXWXKJYGYBCP-KDOFPFPSSA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810913 720087341 /nfs/dbraw/zinc/08/73/41/720087341.db2.gz MFRVNEAYWPQANH-KKSFZXQISA-N 1 1 397.479 2.723 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164769092 721123843 /nfs/dbraw/zinc/12/38/43/721123843.db2.gz PMNGVOHTODHWKW-IRXDYDNUSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164805385 721560185 /nfs/dbraw/zinc/56/01/85/721560185.db2.gz NDYHZINFVMQZSF-HOJAQTOUSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164805385 721560188 /nfs/dbraw/zinc/56/01/88/721560188.db2.gz NDYHZINFVMQZSF-HOJAQTOUSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1c(C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971381 722124352 /nfs/dbraw/zinc/12/43/52/722124352.db2.gz BSDFNUYILYJDFA-UYAOXDASSA-N 1 1 397.479 2.729 20 5 GFBDMO Cc1c(Br)c(NC[C@@H]2C[N@@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000542507305 532774322 /nfs/dbraw/zinc/77/43/22/532774322.db2.gz OEYYLSHLQHCYBV-GFCCVEGCSA-N 1 1 387.278 2.829 20 5 GFBDMO Nc1nc(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ncc1[N+](=O)[O-] ZINC000097138792 206225308 /nfs/dbraw/zinc/22/53/08/206225308.db2.gz SREYOEWQIOUFMW-UHFFFAOYSA-N 1 1 396.373 2.698 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688260 551322930 /nfs/dbraw/zinc/32/29/30/551322930.db2.gz MPOWZXYKCLQBCT-CYBMUJFWSA-N 1 1 375.516 2.611 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000153143665 551447290 /nfs/dbraw/zinc/44/72/90/551447290.db2.gz IWZLFSKTVMEQCD-ZDUSSCGKSA-N 1 1 382.258 2.500 20 5 GFBDMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153973716 551464607 /nfs/dbraw/zinc/46/46/07/551464607.db2.gz ALGKVEQHJPEFAP-UKRRQHHQSA-N 1 1 396.285 2.985 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000164085869 551623898 /nfs/dbraw/zinc/62/38/98/551623898.db2.gz FGXBNTFMBSMNRF-RISCZKNCSA-N 1 1 382.258 2.914 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000174026489 552096900 /nfs/dbraw/zinc/09/69/00/552096900.db2.gz ZIRIEHYOVYZQCG-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1c(Br)cncc1[N+](=O)[O-] ZINC000301939578 563416004 /nfs/dbraw/zinc/41/60/04/563416004.db2.gz TVVDUUZDHUFTKR-UHFFFAOYSA-N 1 1 387.278 2.547 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000408001173 563541324 /nfs/dbraw/zinc/54/13/24/563541324.db2.gz AVIAMLCLYAENOC-JQWIXIFHSA-N 1 1 382.258 2.974 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364079409 563742277 /nfs/dbraw/zinc/74/22/77/563742277.db2.gz UISWGVCBSDULIX-QWHCGFSZSA-N 1 1 382.258 2.643 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000416499401 563839376 /nfs/dbraw/zinc/83/93/76/563839376.db2.gz BHDCHZZKEITQKR-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000449793896 564201695 /nfs/dbraw/zinc/20/16/95/564201695.db2.gz YPEFVSNWKIRIBT-NSHDSACASA-N 1 1 390.221 2.794 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000449793896 564201698 /nfs/dbraw/zinc/20/16/98/564201698.db2.gz YPEFVSNWKIRIBT-NSHDSACASA-N 1 1 390.221 2.794 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000564504410 564236582 /nfs/dbraw/zinc/23/65/82/564236582.db2.gz KCVIYXAEOFMVMF-VXGBXAGGSA-N 1 1 375.878 2.742 20 5 GFBDMO C[C@H]([N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000570038937 564488423 /nfs/dbraw/zinc/48/84/23/564488423.db2.gz JEQIHUBNDZZRJZ-VIFPVBQESA-N 1 1 378.210 2.791 20 5 GFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000571568303 564557507 /nfs/dbraw/zinc/55/75/07/564557507.db2.gz NUHNTWYFBGTUED-UHFFFAOYSA-N 1 1 383.857 2.570 20 5 GFBDMO COc1ccc(OCC[N@@H+](C)CCn2cc(Br)cn2)c([N+](=O)[O-])c1 ZINC000572039813 564579094 /nfs/dbraw/zinc/57/90/94/564579094.db2.gz IYMSFIFBJWNJPD-UHFFFAOYSA-N 1 1 399.245 2.573 20 5 GFBDMO C[N@@H+](CCc1cnccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000521689541 564633963 /nfs/dbraw/zinc/63/39/63/564633963.db2.gz JQYKXKJDNPQDAD-UHFFFAOYSA-N 1 1 398.204 2.664 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1[N+](=O)[O-] ZINC000524638130 564684155 /nfs/dbraw/zinc/68/41/55/564684155.db2.gz HYBNDTFEPWQYPH-NSHDSACASA-N 1 1 389.237 2.977 20 5 GFBDMO C[C@@H]1[C@H](C)N(Cc2cc(I)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000554934871 564778058 /nfs/dbraw/zinc/77/80/58/564778058.db2.gz KVCQRMUKOYMJAO-MNOVXSKESA-N 1 1 389.237 2.724 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462684633 564854790 /nfs/dbraw/zinc/85/47/90/564854790.db2.gz UHAZGSRUNZSZEU-JTQLQIEISA-N 1 1 396.296 2.864 20 5 GFBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537637421 565060451 /nfs/dbraw/zinc/06/04/51/565060451.db2.gz JVLZAZXNWWRFAT-GFCCVEGCSA-N 1 1 381.479 2.576 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000589255331 565156978 /nfs/dbraw/zinc/15/69/78/565156978.db2.gz WZWJXNSPCQSRLM-CQSZACIVSA-N 1 1 388.205 2.812 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000589255331 565156981 /nfs/dbraw/zinc/15/69/81/565156981.db2.gz WZWJXNSPCQSRLM-CQSZACIVSA-N 1 1 388.205 2.812 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000619578940 565349928 /nfs/dbraw/zinc/34/99/28/565349928.db2.gz VLJLMRWNOBFOSW-CYBMUJFWSA-N 1 1 384.274 2.843 20 5 GFBDMO CCS(=O)(=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000594993338 565439429 /nfs/dbraw/zinc/43/94/29/565439429.db2.gz OPJUODBTHNRROA-UHFFFAOYSA-N 1 1 381.479 2.775 20 5 GFBDMO CCn1nccc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000596061237 565512121 /nfs/dbraw/zinc/51/21/21/565512121.db2.gz HHXLXIQIYOTILR-UHFFFAOYSA-N 1 1 386.193 2.706 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597923771 565581312 /nfs/dbraw/zinc/58/13/12/565581312.db2.gz PKALCDGHVAGBSM-GFCCVEGCSA-N 1 1 384.274 2.889 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599974774 565709068 /nfs/dbraw/zinc/70/90/68/565709068.db2.gz FULHRNQVFOYYHT-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO CC1(C)[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C[C@H]1[NH+]1CCOCC1 ZINC000603400489 565902126 /nfs/dbraw/zinc/90/21/26/565902126.db2.gz YMOKQEJUYGRKTF-CHWSQXEVSA-N 1 1 385.262 2.664 20 5 GFBDMO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370336 566127170 /nfs/dbraw/zinc/12/71/70/566127170.db2.gz CPMRCVSWGROZGF-XQQFMLRXSA-N 1 1 387.527 2.901 20 5 GFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370336 566127177 /nfs/dbraw/zinc/12/71/77/566127177.db2.gz CPMRCVSWGROZGF-XQQFMLRXSA-N 1 1 387.527 2.901 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000612576214 566166680 /nfs/dbraw/zinc/16/66/80/566166680.db2.gz ZBEJSXPJHJTDHL-HNNXBMFYSA-N 1 1 382.825 2.745 20 5 GFBDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824770835 608864378 /nfs/dbraw/zinc/86/43/78/608864378.db2.gz NBAXAJDMCXCKHD-CYBMUJFWSA-N 1 1 397.414 2.797 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000827295945 660487821 /nfs/dbraw/zinc/48/78/21/660487821.db2.gz CISRDMPPWPPXRM-SKDRFNHKSA-N 1 1 386.221 2.663 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1Cl ZINC000830002435 660629432 /nfs/dbraw/zinc/62/94/32/660629432.db2.gz KDUPTIGFECWDMO-WDEREUQCSA-N 1 1 394.280 2.807 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000832761839 660799051 /nfs/dbraw/zinc/79/90/51/660799051.db2.gz RVCXUBQVLLSELA-GFCCVEGCSA-N 1 1 375.878 2.660 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000123930935 654765959 /nfs/dbraw/zinc/76/59/59/654765959.db2.gz LLQXNCVIHNDGFH-LLVKDONJSA-N 1 1 395.257 2.857 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000058178716 654816077 /nfs/dbraw/zinc/81/60/77/654816077.db2.gz KCFSDJZTGXMIEI-RYUDHWBXSA-N 1 1 389.905 2.955 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822750 654821850 /nfs/dbraw/zinc/82/18/50/654821850.db2.gz XRTUCWQJGZLKEX-YPMHNXCESA-N 1 1 387.527 2.896 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000127948754 654838163 /nfs/dbraw/zinc/83/81/63/654838163.db2.gz URJPFRIVPGRJPZ-CYBMUJFWSA-N 1 1 382.214 2.983 20 5 GFBDMO C[C@@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1=CC[N@@H+](C)CC1 ZINC000273045363 655128542 /nfs/dbraw/zinc/12/85/42/655128542.db2.gz WSGUEPUUQNLAEU-SECBINFHSA-N 1 1 386.221 2.877 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000173276106 655166818 /nfs/dbraw/zinc/16/68/18/655166818.db2.gz NDQINJMZJKLJSC-ZYHUDNBSSA-N 1 1 375.878 2.660 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000119520564 655305665 /nfs/dbraw/zinc/30/56/65/655305665.db2.gz RFSBBFCUOGFCQE-AWEZNQCLSA-N 1 1 381.479 2.599 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000119520564 655305670 /nfs/dbraw/zinc/30/56/70/655305670.db2.gz RFSBBFCUOGFCQE-AWEZNQCLSA-N 1 1 381.479 2.599 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000119969181 655323385 /nfs/dbraw/zinc/32/33/85/655323385.db2.gz SLNHDVBNQUSLSV-OCCSQVGLSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000119969181 655323386 /nfs/dbraw/zinc/32/33/86/655323386.db2.gz SLNHDVBNQUSLSV-OCCSQVGLSA-N 1 1 381.479 2.598 20 5 GFBDMO C[N@@H+](CCCCCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289443533 655349402 /nfs/dbraw/zinc/34/94/02/655349402.db2.gz UBWUXCNZSQKPSB-UHFFFAOYSA-N 1 1 378.210 2.794 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000246224599 655429509 /nfs/dbraw/zinc/42/95/09/655429509.db2.gz HDRVBFUKZFIOTJ-GXTWGEPZSA-N 1 1 389.905 2.907 20 5 GFBDMO CC[N@@H+](CCC(=O)OC)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027257 655456263 /nfs/dbraw/zinc/45/62/63/655456263.db2.gz HJLNAGDPZGWZOH-UHFFFAOYSA-N 1 1 392.193 2.584 20 5 GFBDMO Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000774936088 656572813 /nfs/dbraw/zinc/57/28/13/656572813.db2.gz JKACSXZGWFVUBA-UHFFFAOYSA-N 1 1 383.451 2.592 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809820036 659942650 /nfs/dbraw/zinc/94/26/50/659942650.db2.gz LESHDNDHRMZOCH-WDEREUQCSA-N 1 1 393.868 2.881 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000813530400 660056381 /nfs/dbraw/zinc/05/63/81/660056381.db2.gz LZRNDCKMTPAKOO-SNVBAGLBSA-N 1 1 390.267 2.819 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000813530400 660056385 /nfs/dbraw/zinc/05/63/85/660056385.db2.gz LZRNDCKMTPAKOO-SNVBAGLBSA-N 1 1 390.267 2.819 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000815065452 660108800 /nfs/dbraw/zinc/10/88/00/660108800.db2.gz DHEBLXPLYGPKCJ-INIZCTEOSA-N 1 1 387.889 2.663 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848508317 661658437 /nfs/dbraw/zinc/65/84/37/661658437.db2.gz KWELFCUJPVAIHJ-OLZOCXBDSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2Br)n1 ZINC000860150316 662191498 /nfs/dbraw/zinc/19/14/98/662191498.db2.gz VGLFORNXUKPOHB-GXFFZTMASA-N 1 1 383.202 2.669 20 5 GFBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866048974 662458247 /nfs/dbraw/zinc/45/82/47/662458247.db2.gz DQYWDQLUGJPTCV-DGCLKSJQSA-N 1 1 384.274 2.841 20 5 GFBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867423838 662549015 /nfs/dbraw/zinc/54/90/15/662549015.db2.gz INTAAOFNYKCQKP-CYBMUJFWSA-N 1 1 394.280 2.616 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCc1c[nH+]c2n1CCCC2 ZINC000868156246 662596734 /nfs/dbraw/zinc/59/67/34/662596734.db2.gz XZPPYPDYRZXCEJ-UHFFFAOYSA-N 1 1 393.241 2.749 20 5 GFBDMO Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000881865177 663006881 /nfs/dbraw/zinc/00/68/81/663006881.db2.gz PFNYZAVIPFCJAC-NSHDSACASA-N 1 1 393.241 2.741 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883330287 663053593 /nfs/dbraw/zinc/05/35/93/663053593.db2.gz BMLVODOPHFVCMT-GFCCVEGCSA-N 1 1 399.289 2.888 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000884957228 663079541 /nfs/dbraw/zinc/07/95/41/663079541.db2.gz MWQPGJKNILWOLN-UWVGGRQHSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955248 663079560 /nfs/dbraw/zinc/07/95/60/663079560.db2.gz RNYNXVAMEXXDJH-ZJUUUORDSA-N 1 1 394.280 2.807 20 5 GFBDMO O=C(NC1CC([NH+]2CCOCC2)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000898094732 663633111 /nfs/dbraw/zinc/63/31/11/663633111.db2.gz SBUKFINNHZFWCQ-UHFFFAOYSA-N 1 1 392.214 2.634 20 5 GFBDMO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000903327310 663782221 /nfs/dbraw/zinc/78/22/21/663782221.db2.gz ZQPNBUNAURKUJN-LKFCYVNXSA-N 1 1 391.225 2.966 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933437759 664864053 /nfs/dbraw/zinc/86/40/53/664864053.db2.gz FWIAVKFYRUZYDG-ZWNOBZJWSA-N 1 1 399.289 2.742 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933779733 664877881 /nfs/dbraw/zinc/87/78/81/664877881.db2.gz QWNGAATWYRMRMS-NSHDSACASA-N 1 1 399.289 2.743 20 5 GFBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)CC2 ZINC001164651365 719313359 /nfs/dbraw/zinc/31/33/59/719313359.db2.gz KCKHJSPJPXOEED-UHFFFAOYSA-N 1 1 383.456 2.873 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164836495 720710267 /nfs/dbraw/zinc/71/02/67/720710267.db2.gz BMAREJXIYAOJIJ-GOSISDBHSA-N 1 1 397.479 2.832 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164761881 721241979 /nfs/dbraw/zinc/24/19/79/721241979.db2.gz JRUBCWSMFKXZFJ-ZWKOTPCHSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925988 721873087 /nfs/dbraw/zinc/87/30/87/721873087.db2.gz PNDLLMRKFMVKST-OALUTQOASA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925988 721873089 /nfs/dbraw/zinc/87/30/89/721873089.db2.gz PNDLLMRKFMVKST-OALUTQOASA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1nc(Cl)nc(N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-] ZINC001165042986 721952239 /nfs/dbraw/zinc/95/22/39/721952239.db2.gz WMDCVVWUQYZPCE-UHFFFAOYSA-N 1 1 377.832 2.548 20 5 GFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1 ZINC001164951752 722017713 /nfs/dbraw/zinc/01/77/13/722017713.db2.gz DFSMIFZPVABOCF-UHFFFAOYSA-N 1 1 398.467 2.589 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000153026634 551444679 /nfs/dbraw/zinc/44/46/79/551444679.db2.gz GKDMHNJKGVHXCU-YPMHNXCESA-N 1 1 384.274 2.841 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000246645418 553111494 /nfs/dbraw/zinc/11/14/94/553111494.db2.gz CNRSAWALEUYQRV-CVEARBPZSA-N 1 1 395.257 2.752 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246930654 553115509 /nfs/dbraw/zinc/11/55/09/553115509.db2.gz HBZAUZNCFMGFML-GXTWGEPZSA-N 1 1 387.889 2.661 20 5 GFBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261785651 553159184 /nfs/dbraw/zinc/15/91/84/553159184.db2.gz UJHWSTCKHWDDFM-HNNXBMFYSA-N 1 1 381.841 2.583 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C[NH2+]1 ZINC000262267085 553168532 /nfs/dbraw/zinc/16/85/32/553168532.db2.gz SBORYTWNWPGFPA-LLVKDONJSA-N 1 1 381.841 2.935 20 5 GFBDMO O=C1CC[C@@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCN1 ZINC000295384155 563244572 /nfs/dbraw/zinc/24/45/72/563244572.db2.gz QJCMVYKTUIIDQA-LLVKDONJSA-N 1 1 382.258 2.632 20 5 GFBDMO O=C1CC[C@@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCN1 ZINC000295384155 563244574 /nfs/dbraw/zinc/24/45/74/563244574.db2.gz QJCMVYKTUIIDQA-LLVKDONJSA-N 1 1 382.258 2.632 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423956406 563365525 /nfs/dbraw/zinc/36/55/25/563365525.db2.gz PKTYVVHZOCKLMO-HNNXBMFYSA-N 1 1 391.225 2.539 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000375535546 563408891 /nfs/dbraw/zinc/40/88/91/563408891.db2.gz AGNMYJIEFVZJNU-QMTHXVAHSA-N 1 1 383.246 2.915 20 5 GFBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425489740 563424406 /nfs/dbraw/zinc/42/44/06/563424406.db2.gz KQBFGYQRQHLIND-UHFFFAOYSA-N 1 1 399.333 2.863 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000283851682 563457014 /nfs/dbraw/zinc/45/70/14/563457014.db2.gz GJILFSHUABUZHP-LLVKDONJSA-N 1 1 382.258 2.880 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331581256 563553759 /nfs/dbraw/zinc/55/37/59/563553759.db2.gz WPYTZOQNSXGLJK-PSLIRLAXSA-N 1 1 382.258 2.878 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000564504405 564236909 /nfs/dbraw/zinc/23/69/09/564236909.db2.gz KCVIYXAEOFMVMF-NEPJUHHUSA-N 1 1 375.878 2.742 20 5 GFBDMO C[C@H]1c2cccc(Br)c2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465777 564300445 /nfs/dbraw/zinc/30/04/45/564300445.db2.gz TZVBJDZLNBTHKD-AAEUAGOBSA-N 1 1 395.257 2.534 20 5 GFBDMO C[C@H]1c2cccc(Br)c2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465777 564300449 /nfs/dbraw/zinc/30/04/49/564300449.db2.gz TZVBJDZLNBTHKD-AAEUAGOBSA-N 1 1 395.257 2.534 20 5 GFBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000521171576 564621070 /nfs/dbraw/zinc/62/10/70/564621070.db2.gz QVPMHUGCJAYDHT-GFCCVEGCSA-N 1 1 375.516 2.835 20 5 GFBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000486603983 564658567 /nfs/dbraw/zinc/65/85/67/564658567.db2.gz KTPQFLOPHXQLEH-ZANVPECISA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000486603983 564658571 /nfs/dbraw/zinc/65/85/71/564658571.db2.gz KTPQFLOPHXQLEH-ZANVPECISA-N 1 1 394.280 2.616 20 5 GFBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000574047323 564666011 /nfs/dbraw/zinc/66/60/11/564666011.db2.gz WVOGUKKJJBALMJ-MRXNPFEDSA-N 1 1 383.857 2.829 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@@H+](C)CCN2C)no1 ZINC000583864032 564911063 /nfs/dbraw/zinc/91/10/63/564911063.db2.gz QTBYNQNGDSWOTQ-ZDUSSCGKSA-N 1 1 396.245 2.634 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@@H]2C[N@H+](C)CCN2C)no1 ZINC000583864032 564911065 /nfs/dbraw/zinc/91/10/65/564911065.db2.gz QTBYNQNGDSWOTQ-ZDUSSCGKSA-N 1 1 396.245 2.634 20 5 GFBDMO CC(C)[N@H+]1CCC[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470678269 565053185 /nfs/dbraw/zinc/05/31/85/565053185.db2.gz NGPXSVATFXUFDI-CYBMUJFWSA-N 1 1 384.274 2.889 20 5 GFBDMO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000592828125 565299205 /nfs/dbraw/zinc/29/92/05/565299205.db2.gz CTSCEZQOACKMGC-AWEZNQCLSA-N 1 1 384.274 2.843 20 5 GFBDMO CCC[N@H+]1CC[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992111 565439468 /nfs/dbraw/zinc/43/94/68/565439468.db2.gz PAGIBVZPNGAUKX-CYBMUJFWSA-N 1 1 389.237 2.773 20 5 GFBDMO CCCN1CC[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992111 565439473 /nfs/dbraw/zinc/43/94/73/565439473.db2.gz PAGIBVZPNGAUKX-CYBMUJFWSA-N 1 1 389.237 2.773 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1ccco1 ZINC000598967328 565651582 /nfs/dbraw/zinc/65/15/82/565651582.db2.gz DZFHJEYNSDPNSV-LBPRGKRZSA-N 1 1 382.214 2.983 20 5 GFBDMO O=[N+]([O-])c1sc(CNCCCC[N@H+]2CCC[C@@H]2CO)cc1Br ZINC000602550018 565854684 /nfs/dbraw/zinc/85/46/84/565854684.db2.gz IAECSNISXPNVDB-LLVKDONJSA-N 1 1 392.319 2.745 20 5 GFBDMO O=[N+]([O-])c1sc(CNCCCC[N@@H+]2CCC[C@@H]2CO)cc1Br ZINC000602550018 565854692 /nfs/dbraw/zinc/85/46/92/565854692.db2.gz IAECSNISXPNVDB-LLVKDONJSA-N 1 1 392.319 2.745 20 5 GFBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738360322 598944798 /nfs/dbraw/zinc/94/47/98/598944798.db2.gz VPHMMAQGSBKNFW-INIZCTEOSA-N 1 1 379.424 2.851 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267602 599258247 /nfs/dbraw/zinc/25/82/47/599258247.db2.gz OWZODCGAFSYJHE-CYBMUJFWSA-N 1 1 396.455 3.000 20 5 GFBDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981684 599554745 /nfs/dbraw/zinc/55/47/45/599554745.db2.gz VPRRVNHRZNKCHX-CYBMUJFWSA-N 1 1 396.455 3.000 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000832763716 660798906 /nfs/dbraw/zinc/79/89/06/660798906.db2.gz CIGMPKDPDXTNIA-GFCCVEGCSA-N 1 1 375.878 2.660 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173670599 655175987 /nfs/dbraw/zinc/17/59/87/655175987.db2.gz IYZPDMLSRHGOLL-ZDUSSCGKSA-N 1 1 375.878 2.743 20 5 GFBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601218 661094892 /nfs/dbraw/zinc/09/48/92/661094892.db2.gz PLHQLHUUJVPFCY-JSGCOSHPSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601218 661094893 /nfs/dbraw/zinc/09/48/93/661094893.db2.gz PLHQLHUUJVPFCY-JSGCOSHPSA-N 1 1 384.274 2.652 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000119346469 655299876 /nfs/dbraw/zinc/29/98/76/655299876.db2.gz MZJPVONFLFJSCU-GFCCVEGCSA-N 1 1 387.508 2.833 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246158296 655429303 /nfs/dbraw/zinc/42/93/03/655429303.db2.gz AAJJBLZEGCXFJA-RYUDHWBXSA-N 1 1 375.878 2.660 20 5 GFBDMO Cn1nc(C(F)(F)F)c(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1Cl ZINC000754219816 655865245 /nfs/dbraw/zinc/86/52/45/655865245.db2.gz WMWYRUIIJFBXBD-UHFFFAOYSA-N 1 1 375.738 2.954 20 5 GFBDMO Cn1nc(C(F)(F)F)c(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c1Cl ZINC000754219816 655865246 /nfs/dbraw/zinc/86/52/46/655865246.db2.gz WMWYRUIIJFBXBD-UHFFFAOYSA-N 1 1 375.738 2.954 20 5 GFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985378 655877862 /nfs/dbraw/zinc/87/78/62/655877862.db2.gz FDSNEGROSZGULS-WDEREUQCSA-N 1 1 386.221 2.853 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768836812 656254631 /nfs/dbraw/zinc/25/46/31/656254631.db2.gz YVRHKMZBQLHLQN-ZIAGYGMSSA-N 1 1 387.527 2.931 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000769381220 656272889 /nfs/dbraw/zinc/27/28/89/656272889.db2.gz MIVLLRRDWCQXRI-AWEZNQCLSA-N 1 1 397.317 2.569 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000791421713 658095197 /nfs/dbraw/zinc/09/51/97/658095197.db2.gz CJBYARFHGMVGFK-DTWKUNHWSA-N 1 1 394.280 2.805 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000791421713 658095207 /nfs/dbraw/zinc/09/52/07/658095207.db2.gz CJBYARFHGMVGFK-DTWKUNHWSA-N 1 1 394.280 2.805 20 5 GFBDMO CSCCC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795451365 658821070 /nfs/dbraw/zinc/82/10/70/658821070.db2.gz ILDTVCXJKULCTM-UHFFFAOYSA-N 1 1 388.287 2.956 20 5 GFBDMO CSCCC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795451365 658821076 /nfs/dbraw/zinc/82/10/76/658821076.db2.gz ILDTVCXJKULCTM-UHFFFAOYSA-N 1 1 388.287 2.956 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000803703024 659597483 /nfs/dbraw/zinc/59/74/83/659597483.db2.gz FYZXJADBOFFPLZ-UHFFFAOYSA-N 1 1 397.204 2.959 20 5 GFBDMO Cc1ccc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804635382 659663404 /nfs/dbraw/zinc/66/34/04/659663404.db2.gz XEVXOBYSZMREGK-GFCCVEGCSA-N 1 1 386.290 2.947 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809820034 659942630 /nfs/dbraw/zinc/94/26/30/659942630.db2.gz LESHDNDHRMZOCH-MNOVXSKESA-N 1 1 393.868 2.881 20 5 GFBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809860558 659950413 /nfs/dbraw/zinc/95/04/13/659950413.db2.gz RFJRIGWQJQFLLT-SNVBAGLBSA-N 1 1 381.857 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000842484888 661341744 /nfs/dbraw/zinc/34/17/44/661341744.db2.gz BQUNXDOOOSBURP-OAHLLOKOSA-N 1 1 381.841 2.583 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848508318 661658362 /nfs/dbraw/zinc/65/83/62/661658362.db2.gz KWELFCUJPVAIHJ-QWHCGFSZSA-N 1 1 387.889 2.852 20 5 GFBDMO C[C@H]1C[NH+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@H](C)O1 ZINC000852022169 661849619 /nfs/dbraw/zinc/84/96/19/661849619.db2.gz OIFJEJKBSXYZPF-STQMWFEESA-N 1 1 398.301 2.825 20 5 GFBDMO Cc1ccc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c([N+](=O)[O-])c1Br ZINC000853966752 661909201 /nfs/dbraw/zinc/90/92/01/661909201.db2.gz YKXRQZTUSGGBTR-ZDUSSCGKSA-N 1 1 384.274 2.701 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865048663 662396188 /nfs/dbraw/zinc/39/61/88/662396188.db2.gz ZTRAJROEVZLGOP-ZDUSSCGKSA-N 1 1 384.274 2.748 20 5 GFBDMO CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000877836158 662885027 /nfs/dbraw/zinc/88/50/27/662885027.db2.gz OOHOFQAGIBPEPS-LLVKDONJSA-N 1 1 390.221 2.792 20 5 GFBDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000877836158 662885030 /nfs/dbraw/zinc/88/50/30/662885030.db2.gz OOHOFQAGIBPEPS-LLVKDONJSA-N 1 1 390.221 2.792 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCO)(CCO)CC2)c1Br ZINC000879279338 662922299 /nfs/dbraw/zinc/92/22/99/662922299.db2.gz FGIGMWVNZPBRAX-UHFFFAOYSA-N 1 1 387.274 2.704 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000883148894 663050393 /nfs/dbraw/zinc/05/03/93/663050393.db2.gz NNEZTDRPOHFJNP-UONOGXRCSA-N 1 1 397.273 2.783 20 5 GFBDMO C[C@@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000883456804 663055409 /nfs/dbraw/zinc/05/54/09/663055409.db2.gz JPKJFOLSMUBOHG-ZWNOBZJWSA-N 1 1 385.262 2.639 20 5 GFBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000907516628 664042702 /nfs/dbraw/zinc/04/27/02/664042702.db2.gz GPRVRDFLKACJKO-BDAKNGLRSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000907516628 664042704 /nfs/dbraw/zinc/04/27/04/664042704.db2.gz GPRVRDFLKACJKO-BDAKNGLRSA-N 1 1 394.230 2.568 20 5 GFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085661 664722240 /nfs/dbraw/zinc/72/22/40/664722240.db2.gz JLYBXCSTGLEUBD-UKRRQHHQSA-N 1 1 387.864 2.626 20 5 GFBDMO Nc1cc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164696934 719894572 /nfs/dbraw/zinc/89/45/72/719894572.db2.gz IKZLEILAJBLSPC-UHFFFAOYSA-N 1 1 389.481 2.505 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808491 720084758 /nfs/dbraw/zinc/08/47/58/720084758.db2.gz HRMDUKUEFNNPDM-KSSFIOAISA-N 1 1 380.876 2.828 20 5 GFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@H]2C1 ZINC001164853319 720843796 /nfs/dbraw/zinc/84/37/96/720843796.db2.gz OFSCHPKCOYENBW-VQTJNVASSA-N 1 1 392.503 2.957 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164866852 721048206 /nfs/dbraw/zinc/04/82/06/721048206.db2.gz GHUXRKARBGJXFA-HZPDHXFCSA-N 1 1 389.843 2.518 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001165021510 721822591 /nfs/dbraw/zinc/82/25/91/721822591.db2.gz FXDJYPBDFGTQCY-DKSSEZFCSA-N 1 1 382.468 2.704 20 5 GFBDMO CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165053260 722009430 /nfs/dbraw/zinc/00/94/30/722009430.db2.gz DDSHKGCXHRQFJE-UHFFFAOYSA-N 1 1 394.888 2.520 20 5 GFBDMO CSc1nc(Cl)nc(N2CC[NH+](CCc3ccccn3)CC2)c1[N+](=O)[O-] ZINC001165055903 722013853 /nfs/dbraw/zinc/01/38/53/722013853.db2.gz NEAFIVXBWWBMNV-UHFFFAOYSA-N 1 1 394.888 2.520 20 5 GFBDMO Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-] ZINC001164961916 722052216 /nfs/dbraw/zinc/05/22/16/722052216.db2.gz YPDQBUSNYAAEKT-UHFFFAOYSA-N 1 1 397.479 2.812 20 5 GFBDMO C[N@H+](CCc1ccccn1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123376953 551306182 /nfs/dbraw/zinc/30/61/82/551306182.db2.gz UIBWDDCPYNGUIL-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO C[N@@H+](CCc1ccccn1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000123376953 551306185 /nfs/dbraw/zinc/30/61/85/551306185.db2.gz UIBWDDCPYNGUIL-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO Cc1cccc(NCCNC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH+]1 ZINC000126916035 551334217 /nfs/dbraw/zinc/33/42/17/551334217.db2.gz SKWXCBXIVFTHKM-UHFFFAOYSA-N 1 1 379.214 2.903 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000153617982 551457105 /nfs/dbraw/zinc/45/71/05/551457105.db2.gz RJPZRURCUCFBBG-UHFFFAOYSA-N 1 1 382.770 2.734 20 5 GFBDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000155695086 551505907 /nfs/dbraw/zinc/50/59/07/551505907.db2.gz RUZUUCKNDOGBJD-ABAIWWIYSA-N 1 1 384.274 2.745 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000279529097 563299507 /nfs/dbraw/zinc/29/95/07/563299507.db2.gz UIHJMBQNAUCVBA-SNVBAGLBSA-N 1 1 396.296 2.864 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423968642 563365616 /nfs/dbraw/zinc/36/56/16/563365616.db2.gz YUERQWUHBPRSEL-OAHLLOKOSA-N 1 1 391.225 2.539 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000375032863 563388560 /nfs/dbraw/zinc/38/85/60/563388560.db2.gz YIRIWBSNRVJJNV-GFCCVEGCSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000425061524 563402559 /nfs/dbraw/zinc/40/25/59/563402559.db2.gz ZGGDHCNWTIVCLB-XHDPSFHLSA-N 1 1 382.258 2.832 20 5 GFBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425427237 563421971 /nfs/dbraw/zinc/42/19/71/563421971.db2.gz YBNUQLOICHSIJN-UHFFFAOYSA-N 1 1 399.333 2.815 20 5 GFBDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425427237 563421976 /nfs/dbraw/zinc/42/19/76/563421976.db2.gz YBNUQLOICHSIJN-UHFFFAOYSA-N 1 1 399.333 2.815 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000377883009 563490269 /nfs/dbraw/zinc/49/02/69/563490269.db2.gz HUDAGBLBZRQGPS-ZANVPECISA-N 1 1 394.280 2.616 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330923773 563527462 /nfs/dbraw/zinc/52/74/62/563527462.db2.gz SQESCCBONZIEOF-GFCCVEGCSA-N 1 1 375.878 2.743 20 5 GFBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000332440008 563599164 /nfs/dbraw/zinc/59/91/64/563599164.db2.gz HSYFKFKOOAEIRA-UHFFFAOYSA-N 1 1 384.845 2.779 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434757468 563637133 /nfs/dbraw/zinc/63/71/33/563637133.db2.gz NFEVCPZBJAEFQU-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434757468 563637136 /nfs/dbraw/zinc/63/71/36/563637136.db2.gz NFEVCPZBJAEFQU-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO COC(=O)[C@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412068846 563646601 /nfs/dbraw/zinc/64/66/01/563646601.db2.gz GZKWLSGHCBZWJH-LLVKDONJSA-N 1 1 378.372 2.952 20 5 GFBDMO COC(=O)[C@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412068846 563646604 /nfs/dbraw/zinc/64/66/04/563646604.db2.gz GZKWLSGHCBZWJH-LLVKDONJSA-N 1 1 378.372 2.952 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363157929 563715791 /nfs/dbraw/zinc/71/57/91/563715791.db2.gz PTYPBGCGORQWHI-APHBMKBZSA-N 1 1 394.269 2.914 20 5 GFBDMO O=C(Nc1nncs1)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000363176657 563716343 /nfs/dbraw/zinc/71/63/43/563716343.db2.gz LEDIRESTERBVDE-UHFFFAOYSA-N 1 1 381.845 2.950 20 5 GFBDMO CC[N@H+]1CC[C@H]2OCCN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])[C@H]2C1 ZINC000294008129 563829352 /nfs/dbraw/zinc/82/93/52/563829352.db2.gz XZZBAZOWSVPHED-UONOGXRCSA-N 1 1 388.251 2.837 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N=c2cc[nH]c3cc[nH+]cc32)cc1[N+](=O)[O-] ZINC000471518585 564196826 /nfs/dbraw/zinc/19/68/26/564196826.db2.gz APCYPCXTTRDJBU-UHFFFAOYSA-N 1 1 378.797 2.723 20 5 GFBDMO Cc1c(Br)cc(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000510472410 564334996 /nfs/dbraw/zinc/33/49/96/564334996.db2.gz FXBRKLRHRHALMW-ZDUSSCGKSA-N 1 1 382.258 2.974 20 5 GFBDMO C[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1=CC[N@@H+](C)CC1 ZINC000510742410 564345494 /nfs/dbraw/zinc/34/54/94/564345494.db2.gz BHTBCBXCHFOTDA-LLVKDONJSA-N 1 1 382.258 2.666 20 5 GFBDMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000549746060 564604028 /nfs/dbraw/zinc/60/40/28/564604028.db2.gz SGHFPRPPHMWMNQ-JFGNBEQYSA-N 1 1 379.240 2.751 20 5 GFBDMO C[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000549746060 564604031 /nfs/dbraw/zinc/60/40/31/564604031.db2.gz SGHFPRPPHMWMNQ-JFGNBEQYSA-N 1 1 379.240 2.751 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000580582547 564766098 /nfs/dbraw/zinc/76/60/98/564766098.db2.gz QJJBNTSZCTURMY-QWHCGFSZSA-N 1 1 382.258 2.974 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000554934793 564778376 /nfs/dbraw/zinc/77/83/76/564778376.db2.gz GYRWVTIQZDJHEI-CYBMUJFWSA-N 1 1 376.194 2.810 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000583232996 564881324 /nfs/dbraw/zinc/88/13/24/564881324.db2.gz NOVXFQSZFHBFBJ-LLVKDONJSA-N 1 1 398.204 2.570 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531269362 564905788 /nfs/dbraw/zinc/90/57/88/564905788.db2.gz MBZWPJPUOYLOPZ-GFCCVEGCSA-N 1 1 384.274 2.746 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531334618 564907497 /nfs/dbraw/zinc/90/74/97/564907497.db2.gz VFKYOYRQPXYLTQ-INIZCTEOSA-N 1 1 383.857 2.829 20 5 GFBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500157518 564947182 /nfs/dbraw/zinc/94/71/82/564947182.db2.gz OCUMEJQIUHYYGL-GFCCVEGCSA-N 1 1 375.878 2.791 20 5 GFBDMO Cc1sc(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000467421099 564963690 /nfs/dbraw/zinc/96/36/90/564963690.db2.gz XIDNJTYDBPVQLK-LLVKDONJSA-N 1 1 375.516 2.754 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000467973405 564976135 /nfs/dbraw/zinc/97/61/35/564976135.db2.gz CCGGLKNSVATNSR-HNNXBMFYSA-N 1 1 396.216 2.855 20 5 GFBDMO C[N@@H+]1CCCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415642 565677230 /nfs/dbraw/zinc/67/72/30/565677230.db2.gz PTEYOJGBLQNVNU-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO C[N@H+]1CCCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415642 565677235 /nfs/dbraw/zinc/67/72/35/565677235.db2.gz PTEYOJGBLQNVNU-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO COc1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000612029810 566149350 /nfs/dbraw/zinc/14/93/50/566149350.db2.gz AWBHENPYBIAOPC-UHFFFAOYSA-N 1 1 384.841 2.820 20 5 GFBDMO CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000825275442 660417905 /nfs/dbraw/zinc/41/79/05/660417905.db2.gz NHEGVBSNPKOXOT-UHFFFAOYSA-N 1 1 399.333 2.863 20 5 GFBDMO C[N@@H+](CCNC(=O)c1cc([N+](=O)[O-])ncc1Br)C1CCCCC1 ZINC000825467046 660429164 /nfs/dbraw/zinc/42/91/64/660429164.db2.gz LUERYRAUMVINNL-UHFFFAOYSA-N 1 1 385.262 2.747 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827633735 660506089 /nfs/dbraw/zinc/50/60/89/660506089.db2.gz COWLNWXLSAUFSA-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827633735 660506090 /nfs/dbraw/zinc/50/60/90/660506090.db2.gz COWLNWXLSAUFSA-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C(C[N@@H+](C[C@@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052752897 654738960 /nfs/dbraw/zinc/73/89/60/654738960.db2.gz IDEASBDMUYWGRP-NSHDSACASA-N 1 1 398.257 2.797 20 5 GFBDMO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000123996196 654768276 /nfs/dbraw/zinc/76/82/76/654768276.db2.gz IEASLQQVPULJJK-NWDGAFQWSA-N 1 1 399.289 2.710 20 5 GFBDMO O=C(OCC[NH+]1CCSCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000127918568 654837313 /nfs/dbraw/zinc/83/73/13/654837313.db2.gz JXYIPJACAKSZDM-UHFFFAOYSA-N 1 1 379.463 2.924 20 5 GFBDMO C[C@H](NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C1=CC[N@@H+](C)CC1 ZINC000273045365 655128579 /nfs/dbraw/zinc/12/85/79/655128579.db2.gz WSGUEPUUQNLAEU-VIFPVBQESA-N 1 1 386.221 2.877 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000173276126 655166905 /nfs/dbraw/zinc/16/69/05/655166905.db2.gz NDQINJMZJKLJSC-PWSUYJOCSA-N 1 1 375.878 2.660 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000289292981 655345744 /nfs/dbraw/zinc/34/57/44/655345744.db2.gz HBOSIPYMIJQARB-SECBINFHSA-N 1 1 394.280 2.664 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000577059484 655456680 /nfs/dbraw/zinc/45/66/80/655456680.db2.gz SCOMBDZZYDACKL-RISCZKNCSA-N 1 1 388.205 2.810 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000577059484 655456682 /nfs/dbraw/zinc/45/66/82/655456682.db2.gz SCOMBDZZYDACKL-RISCZKNCSA-N 1 1 388.205 2.810 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000725822605 655527019 /nfs/dbraw/zinc/52/70/19/655527019.db2.gz HUIHPOXTXLIVTJ-NWDGAFQWSA-N 1 1 375.878 2.789 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000725822970 655527055 /nfs/dbraw/zinc/52/70/55/655527055.db2.gz PEBJIOMRKSZKIW-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cc[nH+]1 ZINC000766078786 656160153 /nfs/dbraw/zinc/16/01/53/656160153.db2.gz ZPYYCDVYQJUPSE-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798163995 659077418 /nfs/dbraw/zinc/07/74/18/659077418.db2.gz CFNDAIKRAXSHHJ-GRYCIOLGSA-N 1 1 399.289 2.849 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000813752667 660063056 /nfs/dbraw/zinc/06/30/56/660063056.db2.gz WSUKIKIUJHZCQV-GFCCVEGCSA-N 1 1 387.889 2.743 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020758 660102582 /nfs/dbraw/zinc/10/25/82/660102582.db2.gz GWEFOFMLKDSIPV-LLVKDONJSA-N 1 1 393.868 2.882 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849411872 661718416 /nfs/dbraw/zinc/71/84/16/661718416.db2.gz WQSTXTIEVKRTSH-SNVBAGLBSA-N 1 1 393.868 2.786 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866709934 662491148 /nfs/dbraw/zinc/49/11/48/662491148.db2.gz NMFVMGWDIVRYMS-UKRRQHHQSA-N 1 1 396.285 2.843 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000867806673 662577964 /nfs/dbraw/zinc/57/79/64/662577964.db2.gz HJLURSCTWVCTKR-ONGXEEELSA-N 1 1 394.280 2.616 20 5 GFBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991683 663536284 /nfs/dbraw/zinc/53/62/84/663536284.db2.gz YRLOKBBKJHYVRE-IUCAKERBSA-N 1 1 392.214 2.634 20 5 GFBDMO COCCC[N@@H+](C)CCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896669109 663570669 /nfs/dbraw/zinc/57/06/69/663570669.db2.gz AHEIDTOXZGFWKC-UHFFFAOYSA-N 1 1 382.219 2.739 20 5 GFBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000907516631 664042681 /nfs/dbraw/zinc/04/26/81/664042681.db2.gz GPRVRDFLKACJKO-RKDXNWHRSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000907516631 664042684 /nfs/dbraw/zinc/04/26/84/664042684.db2.gz GPRVRDFLKACJKO-RKDXNWHRSA-N 1 1 394.230 2.568 20 5 GFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932810846 664839549 /nfs/dbraw/zinc/83/95/49/664839549.db2.gz WWPAOECGXIZKAY-INIZCTEOSA-N 1 1 395.257 2.537 20 5 GFBDMO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840575 720520439 /nfs/dbraw/zinc/52/04/39/720520439.db2.gz WJQFHHVQEYLUIG-KZNAEPCWSA-N 1 1 384.484 2.873 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768963 721120364 /nfs/dbraw/zinc/12/03/64/721120364.db2.gz OMJVTLHBDXJWJC-ZWKOTPCHSA-N 1 1 392.463 2.835 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001165021516 721822728 /nfs/dbraw/zinc/82/27/28/721822728.db2.gz FXDJYPBDFGTQCY-POZUXBRTSA-N 1 1 382.468 2.704 20 5 GFBDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935153 721888293 /nfs/dbraw/zinc/88/82/93/721888293.db2.gz WRMPSFQGLZTFDX-ROUUACIJSA-N 1 1 381.480 2.871 20 5 GFBDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935153 721888295 /nfs/dbraw/zinc/88/82/95/721888295.db2.gz WRMPSFQGLZTFDX-ROUUACIJSA-N 1 1 381.480 2.871 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000131269477 551373249 /nfs/dbraw/zinc/37/32/49/551373249.db2.gz CTJSFABXMGITEP-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000174740489 552109239 /nfs/dbraw/zinc/10/92/39/552109239.db2.gz CNRSAWALEUYQRV-JKSUJKDBSA-N 1 1 395.257 2.752 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000183726369 552317893 /nfs/dbraw/zinc/31/78/93/552317893.db2.gz GBJDXJPNYGYGFH-RYUDHWBXSA-N 1 1 375.878 2.517 20 5 GFBDMO Cc1csc(Sc2ccc(C(=O)NCC(F)(F)C[NH3+])cc2[N+](=O)[O-])n1 ZINC000190241976 552490614 /nfs/dbraw/zinc/49/06/14/552490614.db2.gz ABPYSAUZVDAXFJ-UHFFFAOYSA-N 1 1 388.421 2.835 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)cs1 ZINC000237977163 553084615 /nfs/dbraw/zinc/08/46/15/553084615.db2.gz CCEYAWXAQPEVPO-UHFFFAOYSA-N 1 1 381.479 2.731 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000248733456 553133651 /nfs/dbraw/zinc/13/36/51/553133651.db2.gz BINKVOJYPRBBPE-AAEUAGOBSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291602 563240478 /nfs/dbraw/zinc/24/04/78/563240478.db2.gz UEDILRKSBQVPGO-KOLCDFICSA-N 1 1 396.296 2.862 20 5 GFBDMO C[C@H](C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301236115 563397232 /nfs/dbraw/zinc/39/72/32/563397232.db2.gz KKDYOGFRBYPLLL-LLVKDONJSA-N 1 1 377.413 2.877 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000375353420 563401428 /nfs/dbraw/zinc/40/14/28/563401428.db2.gz LJCRLICQKUVOIF-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO CC[N@H+]1CCCN(c2ccc(I)cc2[N+](=O)[O-])CC1 ZINC000301495185 563405059 /nfs/dbraw/zinc/40/50/59/563405059.db2.gz AMSVMKPHSJZGNL-UHFFFAOYSA-N 1 1 375.210 2.731 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000425418219 563421724 /nfs/dbraw/zinc/42/17/24/563421724.db2.gz JEDMMHWYLZDQRJ-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452207 563423114 /nfs/dbraw/zinc/42/31/14/563423114.db2.gz YYEXBARLEDFDAR-IUODEOHRSA-N 1 1 384.274 2.652 20 5 GFBDMO Cc1c(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000332274470 563589858 /nfs/dbraw/zinc/58/98/58/563589858.db2.gz HBUQTGAPQHZXQS-AWEZNQCLSA-N 1 1 389.225 2.831 20 5 GFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCn1cc(Br)cn1 ZINC000288806535 563657664 /nfs/dbraw/zinc/65/76/64/563657664.db2.gz MEIJSIWYGWRZPB-NSHDSACASA-N 1 1 396.245 2.513 20 5 GFBDMO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cc(Br)cn1 ZINC000288806535 563657667 /nfs/dbraw/zinc/65/76/67/563657667.db2.gz MEIJSIWYGWRZPB-NSHDSACASA-N 1 1 396.245 2.513 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363157931 563715965 /nfs/dbraw/zinc/71/59/65/563715965.db2.gz PTYPBGCGORQWHI-RCBQFDQVSA-N 1 1 394.269 2.914 20 5 GFBDMO O=C(NCC[NH+]1CCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000505413699 564182734 /nfs/dbraw/zinc/18/27/34/564182734.db2.gz CIOKVUCUQWOOMS-UHFFFAOYSA-N 1 1 384.223 2.523 20 5 GFBDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412036 564592887 /nfs/dbraw/zinc/59/28/87/564592887.db2.gz PGRIIRDRHJDLGL-ZWNOBZJWSA-N 1 1 390.221 2.935 20 5 GFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412036 564592892 /nfs/dbraw/zinc/59/28/92/564592892.db2.gz PGRIIRDRHJDLGL-ZWNOBZJWSA-N 1 1 390.221 2.935 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000552402273 564690067 /nfs/dbraw/zinc/69/00/67/564690067.db2.gz RGPULCNVQQCQEB-CYBMUJFWSA-N 1 1 389.237 2.725 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000467402361 564962760 /nfs/dbraw/zinc/96/27/60/564962760.db2.gz RSCDROYEHVTYNT-HNNXBMFYSA-N 1 1 383.495 2.854 20 5 GFBDMO CCCC[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000584498521 565083729 /nfs/dbraw/zinc/08/37/29/565083729.db2.gz UJBLCWKLCLOKIU-UHFFFAOYSA-N 1 1 378.210 2.794 20 5 GFBDMO CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](C)C1 ZINC000592828126 565299286 /nfs/dbraw/zinc/29/92/86/565299286.db2.gz CTSCEZQOACKMGC-CQSZACIVSA-N 1 1 384.274 2.843 20 5 GFBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@@H+](CC)C1 ZINC000598042807 565590505 /nfs/dbraw/zinc/59/05/05/565590505.db2.gz YLQNFGPXRPLLCJ-CQSZACIVSA-N 1 1 384.274 2.843 20 5 GFBDMO CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602491649 565850889 /nfs/dbraw/zinc/85/08/89/565850889.db2.gz CHXMDFXASCGPNG-SNVBAGLBSA-N 1 1 376.276 2.719 20 5 GFBDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602491649 565850890 /nfs/dbraw/zinc/85/08/90/565850890.db2.gz CHXMDFXASCGPNG-SNVBAGLBSA-N 1 1 376.276 2.719 20 5 GFBDMO CCc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3[N+](=O)[O-])CC2)s1 ZINC000736692605 599528519 /nfs/dbraw/zinc/52/85/19/599528519.db2.gz RWSLFBOVZSFWAI-UHFFFAOYSA-N 1 1 399.480 2.721 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(NC[C@@H]3CCCn4cc[nH+]c43)cc(-c3nn[nH]n3)c2c1 ZINC000826499269 607558515 /nfs/dbraw/zinc/55/85/15/607558515.db2.gz BWTIXDQPLOYSFZ-NSHDSACASA-N 1 1 391.395 2.509 20 5 GFBDMO Cc1cccc(NCCNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)[nH+]1 ZINC000822323887 606125380 /nfs/dbraw/zinc/12/53/80/606125380.db2.gz QEKNYQVGWQUDBG-UHFFFAOYSA-N 1 1 391.395 2.551 20 5 GFBDMO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000822271100 606721531 /nfs/dbraw/zinc/72/15/31/606721531.db2.gz MIRWEMIXXNEHIJ-UHFFFAOYSA-N 1 1 393.451 2.796 20 5 GFBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000824252961 660388200 /nfs/dbraw/zinc/38/82/00/660388200.db2.gz MNCZEBZPPLDBMV-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302095 660488112 /nfs/dbraw/zinc/48/81/12/660488112.db2.gz SUCWCYLUFQVDJN-SMDDNHRTSA-N 1 1 382.258 2.832 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122821406 654743901 /nfs/dbraw/zinc/74/39/01/654743901.db2.gz NGAXEXUYMZPXMJ-NSHDSACASA-N 1 1 375.497 2.607 20 5 GFBDMO C[N@H+](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCSC1 ZINC000129615686 654868219 /nfs/dbraw/zinc/86/82/19/654868219.db2.gz FVMJVAIZJCDPRT-GFCCVEGCSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCSC1 ZINC000129615686 654868222 /nfs/dbraw/zinc/86/82/22/654868222.db2.gz FVMJVAIZJCDPRT-GFCCVEGCSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@H+]1CCC[C@@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097347522 655034627 /nfs/dbraw/zinc/03/46/27/655034627.db2.gz URFBODUAYDRYSI-JTQLQIEISA-N 1 1 375.210 2.953 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272471270 655114169 /nfs/dbraw/zinc/11/41/69/655114169.db2.gz RWIPDDRJBPBJMI-QMTHXVAHSA-N 1 1 383.246 2.915 20 5 GFBDMO CN(C)C(C)(C)C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000518015344 655419976 /nfs/dbraw/zinc/41/99/76/655419976.db2.gz UXOKAITYRQEGLO-UHFFFAOYSA-N 1 1 377.226 2.629 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264670092 655468180 /nfs/dbraw/zinc/46/81/80/655468180.db2.gz WCDQQARRFXMRPV-STQMWFEESA-N 1 1 375.397 2.630 20 5 GFBDMO C[N@@H+](CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CCCC1 ZINC000732038373 655590925 /nfs/dbraw/zinc/59/09/25/655590925.db2.gz MFDXGIHECOPHNB-UHFFFAOYSA-N 1 1 377.413 2.877 20 5 GFBDMO C[N@@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000749313058 655803204 /nfs/dbraw/zinc/80/32/04/655803204.db2.gz IEWYBNZHLTYCES-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO C[N@H+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000749313058 655803206 /nfs/dbraw/zinc/80/32/06/655803206.db2.gz IEWYBNZHLTYCES-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000752249051 655841401 /nfs/dbraw/zinc/84/14/01/655841401.db2.gz YEYCCUXLIFGOCS-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838952 656254839 /nfs/dbraw/zinc/25/48/39/656254839.db2.gz YUINCIFGRXSUPC-LBPRGKRZSA-N 1 1 375.516 2.835 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000768936351 656261219 /nfs/dbraw/zinc/26/12/19/656261219.db2.gz CAEHTTXQTLHCQQ-CYBMUJFWSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000768936351 656261222 /nfs/dbraw/zinc/26/12/22/656261222.db2.gz CAEHTTXQTLHCQQ-CYBMUJFWSA-N 1 1 384.274 2.654 20 5 GFBDMO CN(CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])S(=O)(=O)c1cccs1 ZINC000771981915 656369163 /nfs/dbraw/zinc/36/91/63/656369163.db2.gz VYBAUBMNFVBHMS-UHFFFAOYSA-N 1 1 389.886 2.720 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000784719615 657323805 /nfs/dbraw/zinc/32/38/05/657323805.db2.gz DGWWREKYPDPUOA-AAEUAGOBSA-N 1 1 389.905 2.955 20 5 GFBDMO C[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791422451 658096325 /nfs/dbraw/zinc/09/63/25/658096325.db2.gz GDPMDNRSPPKIJA-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000814990022 660100323 /nfs/dbraw/zinc/10/03/23/660100323.db2.gz YEVTWDZADIMCFK-GHMZBOCLSA-N 1 1 393.868 2.929 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000841547732 661295864 /nfs/dbraw/zinc/29/58/64/661295864.db2.gz AHFDMJHYSFHFDI-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000841550480 661296962 /nfs/dbraw/zinc/29/69/62/661296962.db2.gz XJKJPHBZAIIKPD-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848509452 661658724 /nfs/dbraw/zinc/65/87/24/661658724.db2.gz VUVNSMVZXZOIKM-UONOGXRCSA-N 1 1 387.889 2.852 20 5 GFBDMO C[C@@H]1C[N@@H+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@H](C)O1 ZINC000852022167 661849579 /nfs/dbraw/zinc/84/95/79/661849579.db2.gz OIFJEJKBSXYZPF-BETUJISGSA-N 1 1 398.301 2.825 20 5 GFBDMO C[C@@H]1C[N@H+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@H](C)O1 ZINC000852022167 661849581 /nfs/dbraw/zinc/84/95/81/661849581.db2.gz OIFJEJKBSXYZPF-BETUJISGSA-N 1 1 398.301 2.825 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+](CCN2CCOCC2)CC2CC2)ccc1Br ZINC000852636362 661869242 /nfs/dbraw/zinc/86/92/42/661869242.db2.gz SLVDWRRIQMYMRN-UHFFFAOYSA-N 1 1 398.301 2.902 20 5 GFBDMO Cc1ccc(N2CCC[C@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1Br ZINC000853652529 661896349 /nfs/dbraw/zinc/89/63/49/661896349.db2.gz OOKFVTZPSXXROP-ZDUSSCGKSA-N 1 1 384.274 2.967 20 5 GFBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729887 662039443 /nfs/dbraw/zinc/03/94/43/662039443.db2.gz YPSRDUKXMBPWOZ-CQSZACIVSA-N 1 1 397.317 2.964 20 5 GFBDMO CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C)C1 ZINC000869072701 662629017 /nfs/dbraw/zinc/62/90/17/662629017.db2.gz PZTIAERXBNPDKP-ZDUSSCGKSA-N 1 1 384.274 2.843 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CNc1nc(N2CCOCC2)cc[nH+]1 ZINC000882880697 663044340 /nfs/dbraw/zinc/04/43/40/663044340.db2.gz FGMMICRYYKETPS-UHFFFAOYSA-N 1 1 394.229 2.596 20 5 GFBDMO Cc1c(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cccc1[N+](=O)[O-] ZINC000897977927 663628389 /nfs/dbraw/zinc/62/83/89/663628389.db2.gz ITOZWRMHUJAODT-ZDUSSCGKSA-N 1 1 391.225 2.714 20 5 GFBDMO O=C([C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1)N1CCCC1 ZINC000930489418 664771683 /nfs/dbraw/zinc/77/16/83/664771683.db2.gz JURJGPDAWPIEOT-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1)N1CCCC1 ZINC000930489418 664771684 /nfs/dbraw/zinc/77/16/84/664771684.db2.gz JURJGPDAWPIEOT-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624370 719080323 /nfs/dbraw/zinc/08/03/23/719080323.db2.gz LKUBNAYIWWUZFL-RDJZCZTQSA-N 1 1 388.855 2.982 20 5 GFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624366 719081057 /nfs/dbraw/zinc/08/10/57/719081057.db2.gz LKUBNAYIWWUZFL-DOTOQJQBSA-N 1 1 388.855 2.982 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816412 720100318 /nfs/dbraw/zinc/10/03/18/720100318.db2.gz YQWIFOZWLJXTIN-RDTXWAMCSA-N 1 1 380.876 2.828 20 5 GFBDMO CCOc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)ccc1[N+](=O)[O-] ZINC001164811133 720147909 /nfs/dbraw/zinc/14/79/09/720147909.db2.gz LRDDBGFEXCXZIZ-JXFKEZNVSA-N 1 1 390.484 2.573 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1Cl ZINC001164790740 721403154 /nfs/dbraw/zinc/40/31/54/721403154.db2.gz XVDXGZYJLVCOBN-RYUDHWBXSA-N 1 1 379.873 2.976 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001165024772 721816343 /nfs/dbraw/zinc/81/63/43/721816343.db2.gz KOUXLXASQGYPPN-USXIJHARSA-N 1 1 382.468 2.704 20 5 GFBDMO Cc1c(C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971379 722124487 /nfs/dbraw/zinc/12/44/87/722124487.db2.gz BSDFNUYILYJDFA-ICSRJNTNSA-N 1 1 397.479 2.729 20 5 GFBDMO C[NH+]1CCN([C@H]2CCCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127038230 551336327 /nfs/dbraw/zinc/33/63/27/551336327.db2.gz RKLZHLCFZSVHOD-HNNXBMFYSA-N 1 1 397.317 2.964 20 5 GFBDMO Cn1cc[nH+]c1CC1CCN(c2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000130599525 551367151 /nfs/dbraw/zinc/36/71/51/551367151.db2.gz CSWCMSQSJYXLOB-UHFFFAOYSA-N 1 1 380.246 2.945 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000173260511 552081693 /nfs/dbraw/zinc/08/16/93/552081693.db2.gz YBNYBUMOSVYPBE-BXUZGUMPSA-N 1 1 375.878 2.599 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000248420534 553129592 /nfs/dbraw/zinc/12/95/92/553129592.db2.gz XDTGULFKSJZLEL-DGCLKSJQSA-N 1 1 382.258 2.914 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369540570 563216592 /nfs/dbraw/zinc/21/65/92/563216592.db2.gz ORXRPIVAFGFNCN-LRDDRELGSA-N 1 1 381.479 2.628 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000375032864 563388965 /nfs/dbraw/zinc/38/89/65/563388965.db2.gz YIRIWBSNRVJJNV-LBPRGKRZSA-N 1 1 382.258 2.976 20 5 GFBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302275852 563424732 /nfs/dbraw/zinc/42/47/32/563424732.db2.gz IVIMRXKIFPPILZ-AWEZNQCLSA-N 1 1 387.267 2.644 20 5 GFBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000332470674 563600545 /nfs/dbraw/zinc/60/05/45/563600545.db2.gz SNPBWVCZXVHORV-UHFFFAOYSA-N 1 1 384.845 2.779 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363117023 563715054 /nfs/dbraw/zinc/71/50/54/563715054.db2.gz CQPGIYGLPLSJGX-HZUKXOBISA-N 1 1 394.269 2.914 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000291816675 563760420 /nfs/dbraw/zinc/76/04/20/563760420.db2.gz DRUNCCQQPATDSR-GFCCVEGCSA-N 1 1 387.889 2.743 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000505512695 564184871 /nfs/dbraw/zinc/18/48/71/564184871.db2.gz CDMDTYKQTAZLGK-QGZVFWFLSA-N 1 1 396.285 2.844 20 5 GFBDMO CN(C)[C@@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567002840 564353668 /nfs/dbraw/zinc/35/36/68/564353668.db2.gz JKRZVZPXBOJLAV-AWEZNQCLSA-N 1 1 389.237 2.629 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000568802475 564435636 /nfs/dbraw/zinc/43/56/36/564435636.db2.gz DELMSTNJEKRASG-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO Cn1cc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312650 564453057 /nfs/dbraw/zinc/45/30/57/564453057.db2.gz VPVBEIMWSBMIKV-DGCLKSJQSA-N 1 1 383.250 2.561 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000518658158 564559494 /nfs/dbraw/zinc/55/94/94/564559494.db2.gz SNNOIUNGPZDPNC-BETUJISGSA-N 1 1 389.905 2.895 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000552402274 564690126 /nfs/dbraw/zinc/69/01/26/564690126.db2.gz RGPULCNVQQCQEB-ZDUSSCGKSA-N 1 1 389.237 2.725 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047023 564954540 /nfs/dbraw/zinc/95/45/40/564954540.db2.gz AKYINXSNROLUNV-GRYCIOLGSA-N 1 1 375.516 2.609 20 5 GFBDMO CC[N@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000589256985 565157940 /nfs/dbraw/zinc/15/79/40/565157940.db2.gz AIIRHTHGTMWQAD-NSHDSACASA-N 1 1 389.237 2.725 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597579590 565565208 /nfs/dbraw/zinc/56/52/08/565565208.db2.gz MVPCHQKTPDMXRT-KGLIPLIRSA-N 1 1 386.221 2.616 20 5 GFBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597584058 565565273 /nfs/dbraw/zinc/56/52/73/565565273.db2.gz XDKWDJQXAHTROJ-OLZOCXBDSA-N 1 1 386.221 2.616 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000599704879 565697671 /nfs/dbraw/zinc/69/76/71/565697671.db2.gz WQYGAZPMUZRFHU-YPMHNXCESA-N 1 1 382.258 2.914 20 5 GFBDMO O=[N+]([O-])c1sc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)cc1Br ZINC000602718701 565864760 /nfs/dbraw/zinc/86/47/60/565864760.db2.gz QCZVNIUSFJAILM-NSHDSACASA-N 1 1 390.303 2.762 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000603975573 565920358 /nfs/dbraw/zinc/92/03/58/565920358.db2.gz BKBLFVRRLYZZNZ-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738373727 598580743 /nfs/dbraw/zinc/58/07/43/598580743.db2.gz GEXVKIFBQVUAGU-CQSZACIVSA-N 1 1 386.460 2.627 20 5 GFBDMO Cc1c(Br)c(NCCCCN2CC[NH+](C)CC2)ncc1[N+](=O)[O-] ZINC000541591232 650387679 /nfs/dbraw/zinc/38/76/79/650387679.db2.gz MYAKLHDPJDIVIX-UHFFFAOYSA-N 1 1 386.294 2.500 20 5 GFBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000123474704 654756948 /nfs/dbraw/zinc/75/69/48/654756948.db2.gz VGMAZYIBMPTKDX-SNVBAGLBSA-N 1 1 375.256 2.901 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C ZINC000060497117 654830736 /nfs/dbraw/zinc/83/07/36/654830736.db2.gz IQKBPOLNBGNEBK-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1c(Br)cc(C(=O)O[C@H]2C[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000838905856 661063302 /nfs/dbraw/zinc/06/33/02/661063302.db2.gz GNDQIJOTPFOHRL-BETUJISGSA-N 1 1 399.241 2.686 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272471274 655114090 /nfs/dbraw/zinc/11/40/90/655114090.db2.gz RWIPDDRJBPBJMI-YGRLFVJLSA-N 1 1 383.246 2.915 20 5 GFBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000115586455 655239519 /nfs/dbraw/zinc/23/95/19/655239519.db2.gz UCYXGMPJFLTKPN-UHFFFAOYSA-N 1 1 381.479 2.599 20 5 GFBDMO C[C@@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000119911039 655320977 /nfs/dbraw/zinc/32/09/77/655320977.db2.gz DOCUZKDQSBJLEM-ZDUSSCGKSA-N 1 1 383.495 2.845 20 5 GFBDMO C[N@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1Br)[C@H]1CCSC1 ZINC000840393964 661160467 /nfs/dbraw/zinc/16/04/67/661160467.db2.gz BLAXJPNBPLHLOI-NSHDSACASA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1Br)[C@H]1CCSC1 ZINC000840393964 661160473 /nfs/dbraw/zinc/16/04/73/661160473.db2.gz BLAXJPNBPLHLOI-NSHDSACASA-N 1 1 389.271 2.838 20 5 GFBDMO CCC[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731984522 655590412 /nfs/dbraw/zinc/59/04/12/655590412.db2.gz LIGMVPXJUOJHTG-NSHDSACASA-N 1 1 377.413 2.735 20 5 GFBDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000753031194 655849546 /nfs/dbraw/zinc/84/95/46/655849546.db2.gz ZNYRVCYZKHSODD-VIFPVBQESA-N 1 1 376.226 2.955 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000768845131 656255521 /nfs/dbraw/zinc/25/55/21/656255521.db2.gz CZNOQLBTBFFJMS-CYBMUJFWSA-N 1 1 389.886 2.891 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000769492862 656278099 /nfs/dbraw/zinc/27/80/99/656278099.db2.gz NXZWMEVNWUUTLM-ZDUSSCGKSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000769492862 656278105 /nfs/dbraw/zinc/27/81/05/656278105.db2.gz NXZWMEVNWUUTLM-ZDUSSCGKSA-N 1 1 384.274 2.511 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000792474735 658286125 /nfs/dbraw/zinc/28/61/25/658286125.db2.gz WGJZYGGHPFLMHN-UHFFFAOYSA-N 1 1 389.271 2.871 20 5 GFBDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798169929 659078294 /nfs/dbraw/zinc/07/82/94/659078294.db2.gz GSOZYECJIRGJBR-LLVKDONJSA-N 1 1 385.262 2.747 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798228634 659087429 /nfs/dbraw/zinc/08/74/29/659087429.db2.gz ODZJBGRFGDXQAW-LLVKDONJSA-N 1 1 393.868 2.740 20 5 GFBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701190 659936416 /nfs/dbraw/zinc/93/64/16/659936416.db2.gz VHTNSRLHDPUHFS-QWHCGFSZSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701190 659936417 /nfs/dbraw/zinc/93/64/17/659936417.db2.gz VHTNSRLHDPUHFS-QWHCGFSZSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000809808386 659940166 /nfs/dbraw/zinc/94/01/66/659940166.db2.gz QZNUFCQXMXBGBM-QWRGUYRKSA-N 1 1 393.868 2.929 20 5 GFBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825599 659944403 /nfs/dbraw/zinc/94/44/03/659944403.db2.gz JNRBSPGZICIXQJ-PELKAZGASA-N 1 1 394.280 2.663 20 5 GFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825599 659944404 /nfs/dbraw/zinc/94/44/04/659944404.db2.gz JNRBSPGZICIXQJ-PELKAZGASA-N 1 1 394.280 2.663 20 5 GFBDMO CC(C)[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000812290158 660022593 /nfs/dbraw/zinc/02/25/93/660022593.db2.gz ANFYQKVJRKYTHI-GFCCVEGCSA-N 1 1 398.257 2.770 20 5 GFBDMO CC(C)[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCOC1 ZINC000812290158 660022595 /nfs/dbraw/zinc/02/25/95/660022595.db2.gz ANFYQKVJRKYTHI-GFCCVEGCSA-N 1 1 398.257 2.770 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018923 660102258 /nfs/dbraw/zinc/10/22/58/660102258.db2.gz DNTJHKFVEKANLW-NSHDSACASA-N 1 1 393.868 2.740 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865034115 662395787 /nfs/dbraw/zinc/39/57/87/662395787.db2.gz RZXNNJJDLAVHAE-ZDUSSCGKSA-N 1 1 384.274 2.746 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867812926 662579409 /nfs/dbraw/zinc/57/94/09/662579409.db2.gz OAMZNBYNZVCNSW-SKDRFNHKSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000867812924 662579509 /nfs/dbraw/zinc/57/95/09/662579509.db2.gz OAMZNBYNZVCNSW-CABZTGNLSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662107 662784234 /nfs/dbraw/zinc/78/42/34/662784234.db2.gz BQVVRDMHZSGTGD-VXGBXAGGSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662107 662784236 /nfs/dbraw/zinc/78/42/36/662784236.db2.gz BQVVRDMHZSGTGD-VXGBXAGGSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827214 662837584 /nfs/dbraw/zinc/83/75/84/662837584.db2.gz YBJILFMRYLHTNA-UONOGXRCSA-N 1 1 382.258 2.595 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000883148895 663050461 /nfs/dbraw/zinc/05/04/61/663050461.db2.gz NNEZTDRPOHFJNP-ZIAGYGMSSA-N 1 1 397.273 2.783 20 5 GFBDMO CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889722897 663260732 /nfs/dbraw/zinc/26/07/32/663260732.db2.gz QKGTXTUULDHIMR-UHFFFAOYSA-N 1 1 385.262 2.593 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889725198 663261132 /nfs/dbraw/zinc/26/11/32/663261132.db2.gz MNCTYRRJJHYBME-GFCCVEGCSA-N 1 1 399.289 2.841 20 5 GFBDMO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897876380 663623430 /nfs/dbraw/zinc/62/34/30/663623430.db2.gz LDTAYSCJINLKKJ-VIFPVBQESA-N 1 1 394.230 2.617 20 5 GFBDMO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000903326849 663782133 /nfs/dbraw/zinc/78/21/33/663782133.db2.gz URZLRRVDHKCJFW-YMTOWFKASA-N 1 1 391.225 2.966 20 5 GFBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3cccc([N+](=O)[O-])c31)CC2 ZINC001164654864 719316944 /nfs/dbraw/zinc/31/69/44/719316944.db2.gz SHZSTXMGRFZYED-UHFFFAOYSA-N 1 1 395.467 2.940 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810907 720087132 /nfs/dbraw/zinc/08/71/32/720087132.db2.gz MFRVNEAYWPQANH-IERDGZPVSA-N 1 1 397.479 2.723 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723102 720357910 /nfs/dbraw/zinc/35/79/10/720357910.db2.gz GWZRBOUQTSQQBF-RYUDHWBXSA-N 1 1 395.250 2.940 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723102 720357916 /nfs/dbraw/zinc/35/79/16/720357916.db2.gz GWZRBOUQTSQQBF-RYUDHWBXSA-N 1 1 395.250 2.940 20 5 GFBDMO COc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164793111 721489134 /nfs/dbraw/zinc/48/91/34/721489134.db2.gz NXDNNMWDACCHRY-UHFFFAOYSA-N 1 1 398.467 2.669 20 5 GFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899724 721511275 /nfs/dbraw/zinc/51/12/75/721511275.db2.gz LYGFRUVHIBGWSJ-OCCSQVGLSA-N 1 1 393.806 2.519 20 5 GFBDMO CC[NH+]1CCN(c2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000007109261 204233257 /nfs/dbraw/zinc/23/32/57/204233257.db2.gz GAGGIZKFCCBEDH-UHFFFAOYSA-N 1 1 390.465 2.538 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000125986425 551325271 /nfs/dbraw/zinc/32/52/71/551325271.db2.gz JYDCRUOTFPDURW-XJKSGUPXSA-N 1 1 395.257 2.752 20 5 GFBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000158597403 551554544 /nfs/dbraw/zinc/55/45/44/551554544.db2.gz UUUZQLBTSVYKHB-LBPRGKRZSA-N 1 1 387.889 2.886 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000161402666 551593974 /nfs/dbraw/zinc/59/39/74/551593974.db2.gz ITFNHYSGLHPLLB-CYBMUJFWSA-N 1 1 382.214 2.983 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173262027 552081684 /nfs/dbraw/zinc/08/16/84/552081684.db2.gz GXTCOFRACPNJAI-ABAIWWIYSA-N 1 1 389.905 2.907 20 5 GFBDMO CC[N@H+]1CCC[C@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177702724 552157069 /nfs/dbraw/zinc/15/70/69/552157069.db2.gz WOCJNHIEMQPIQW-ZDUSSCGKSA-N 1 1 399.289 2.712 20 5 GFBDMO O=C(C[NH2+][C@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183631195 552315308 /nfs/dbraw/zinc/31/53/08/552315308.db2.gz WOXCCWRFWYBKPT-OAHLLOKOSA-N 1 1 394.225 2.619 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000246204501 553104366 /nfs/dbraw/zinc/10/43/66/553104366.db2.gz FGXBNTFMBSMNRF-FZMZJTMJSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000567003032 564353554 /nfs/dbraw/zinc/35/35/54/564353554.db2.gz RUCCCEDUEHMQMZ-GXFFZTMASA-N 1 1 389.237 2.772 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369539351 563216384 /nfs/dbraw/zinc/21/63/84/563216384.db2.gz IAPKAXXKRVGUHP-MLGOLLRUSA-N 1 1 381.479 2.628 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000369783780 563224832 /nfs/dbraw/zinc/22/48/32/563224832.db2.gz WSDLUPYBHXCDNN-CVEARBPZSA-N 1 1 395.257 2.752 20 5 GFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000370643510 563250717 /nfs/dbraw/zinc/25/07/17/563250717.db2.gz AHPGVFJJTLMWSS-NSHDSACASA-N 1 1 380.246 2.945 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375114818 563391052 /nfs/dbraw/zinc/39/10/52/563391052.db2.gz RLGZFKCAVXUQES-UHFFFAOYSA-N 1 1 384.845 2.568 20 5 GFBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301360538 563401670 /nfs/dbraw/zinc/40/16/70/563401670.db2.gz PZOVNYLJZAIQNQ-OAHLLOKOSA-N 1 1 397.317 2.964 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375535544 563408897 /nfs/dbraw/zinc/40/88/97/563408897.db2.gz AGNMYJIEFVZJNU-HZMBPMFUSA-N 1 1 383.246 2.915 20 5 GFBDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992153 563417961 /nfs/dbraw/zinc/41/79/61/563417961.db2.gz QGGBKTCIUABNJD-IJLUTSLNSA-N 1 1 375.516 2.838 20 5 GFBDMO C[C@H]1C[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000286472374 563561683 /nfs/dbraw/zinc/56/16/83/563561683.db2.gz ZULJCHMYZPGZFY-RYUDHWBXSA-N 1 1 396.285 2.972 20 5 GFBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1 ZINC000290652579 563716920 /nfs/dbraw/zinc/71/69/20/563716920.db2.gz FAQIJYYYWBJQRB-ZANVPECISA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1 ZINC000290652579 563716922 /nfs/dbraw/zinc/71/69/22/563716922.db2.gz FAQIJYYYWBJQRB-ZANVPECISA-N 1 1 394.280 2.616 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363647278 563729116 /nfs/dbraw/zinc/72/91/16/563729116.db2.gz UHGPQPBOSMKXST-SGIREYDYSA-N 1 1 394.269 2.914 20 5 GFBDMO CC1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000440837222 563751873 /nfs/dbraw/zinc/75/18/73/563751873.db2.gz JBPXFNOLNQXCEY-UHFFFAOYSA-N 1 1 382.269 2.570 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000291994885 563768330 /nfs/dbraw/zinc/76/83/30/563768330.db2.gz SGSPHINZQTYRDX-NSHDSACASA-N 1 1 388.251 2.696 20 5 GFBDMO Cc1c(Br)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510476796 564334912 /nfs/dbraw/zinc/33/49/12/564334912.db2.gz RMQGQKKQLUUMLS-LKFCYVNXSA-N 1 1 382.258 2.878 20 5 GFBDMO C[C@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567003032 564353552 /nfs/dbraw/zinc/35/35/52/564353552.db2.gz RUCCCEDUEHMQMZ-GXFFZTMASA-N 1 1 389.237 2.772 20 5 GFBDMO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000544633510 564391917 /nfs/dbraw/zinc/39/19/17/564391917.db2.gz MLFFJDAMWMFANR-UHFFFAOYSA-N 1 1 384.841 2.820 20 5 GFBDMO [NH3+][C@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602013 564451119 /nfs/dbraw/zinc/45/11/19/564451119.db2.gz CZWQSDXNQSPVDL-SCZZXKLOSA-N 1 1 382.269 2.697 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Br)o2)cc1 ZINC000480287877 564467541 /nfs/dbraw/zinc/46/75/41/564467541.db2.gz RFBXIVDMZDXHSG-UHFFFAOYSA-N 1 1 389.227 2.514 20 5 GFBDMO CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000521171577 564620659 /nfs/dbraw/zinc/62/06/59/564620659.db2.gz QVPMHUGCJAYDHT-LBPRGKRZSA-N 1 1 375.516 2.835 20 5 GFBDMO C[N@@H+]1C[C@H]2CN(c3c4cc(Br)ccc4ncc3[N+](=O)[O-])C[C@H]2C1 ZINC000486010466 564635418 /nfs/dbraw/zinc/63/54/18/564635418.db2.gz VABIBVURRBGSJC-PHIMTYICSA-N 1 1 377.242 2.903 20 5 GFBDMO CC(C)[N@@H+](C)CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000573611314 564646436 /nfs/dbraw/zinc/64/64/36/564646436.db2.gz VZIMYGOYHRKMQE-UHFFFAOYSA-N 1 1 377.226 2.629 20 5 GFBDMO CC(C)N(C)CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000573611314 564646440 /nfs/dbraw/zinc/64/64/40/564646440.db2.gz VZIMYGOYHRKMQE-UHFFFAOYSA-N 1 1 377.226 2.629 20 5 GFBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486603982 564658510 /nfs/dbraw/zinc/65/85/10/564658510.db2.gz KTPQFLOPHXQLEH-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486603982 564658511 /nfs/dbraw/zinc/65/85/11/564658511.db2.gz KTPQFLOPHXQLEH-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000487481183 564689367 /nfs/dbraw/zinc/68/93/67/564689367.db2.gz QKRZPPUIEYHLGK-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000487481183 564689368 /nfs/dbraw/zinc/68/93/68/564689368.db2.gz QKRZPPUIEYHLGK-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO CC(C)[C@@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000487953346 564700172 /nfs/dbraw/zinc/70/01/72/564700172.db2.gz KFUWVKXNRGQHNM-HNNXBMFYSA-N 1 1 399.289 2.568 20 5 GFBDMO CC[NH+]1CCC(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462427739 564839014 /nfs/dbraw/zinc/83/90/14/564839014.db2.gz AQYSWDPQBHXABK-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])cc(Br)c1=O)Cc1ccc(F)cc1 ZINC000468389796 564982674 /nfs/dbraw/zinc/98/26/74/564982674.db2.gz LYHJWHXJEKSDTO-UHFFFAOYSA-N 1 1 384.205 2.790 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000561397953 564994000 /nfs/dbraw/zinc/99/40/00/564994000.db2.gz JWOFFNVOBJAAIC-HNNXBMFYSA-N 1 1 382.825 2.745 20 5 GFBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000592370494 565272439 /nfs/dbraw/zinc/27/24/39/565272439.db2.gz BKPPBLQLCHTOPJ-CYBMUJFWSA-N 1 1 382.825 2.573 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597716670 565572162 /nfs/dbraw/zinc/57/21/62/565572162.db2.gz RLBZIFBXMJJEJT-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000609138468 566030861 /nfs/dbraw/zinc/03/08/61/566030861.db2.gz NBSKZYAQGWXOML-UHFFFAOYSA-N 1 1 389.905 2.989 20 5 GFBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293139 607552874 /nfs/dbraw/zinc/55/28/74/607552874.db2.gz GDAPURINONDRPI-SFHVURJKSA-N 1 1 382.424 2.719 20 5 GFBDMO CC[N@H+]1CCCC[C@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267442 606124348 /nfs/dbraw/zinc/12/43/48/606124348.db2.gz NYVZVSZVGAMCER-ZDUSSCGKSA-N 1 1 382.428 2.609 20 5 GFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000827045860 660476984 /nfs/dbraw/zinc/47/69/84/660476984.db2.gz XSUDJAOJCHKPFQ-UHFFFAOYSA-N 1 1 395.186 2.968 20 5 GFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830838660 660682805 /nfs/dbraw/zinc/68/28/05/660682805.db2.gz ZXYOZPFOCDZUNM-GFCCVEGCSA-N 1 1 385.262 2.603 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000058561823 654819884 /nfs/dbraw/zinc/81/98/84/654819884.db2.gz DHJZYUZDDVGWRW-NSHDSACASA-N 1 1 375.878 2.709 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940682 654953322 /nfs/dbraw/zinc/95/33/22/654953322.db2.gz RWHCHPGLQPFBNA-BXKDBHETSA-N 1 1 388.237 2.909 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000272471267 655113852 /nfs/dbraw/zinc/11/38/52/655113852.db2.gz RWIPDDRJBPBJMI-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000113943681 655216097 /nfs/dbraw/zinc/21/60/97/655216097.db2.gz NEMKKDLTXJWIPV-OAHLLOKOSA-N 1 1 383.857 2.829 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000119969668 655323340 /nfs/dbraw/zinc/32/33/40/655323340.db2.gz SLNHDVBNQUSLSV-GXTWGEPZSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000119969668 655323342 /nfs/dbraw/zinc/32/33/42/655323342.db2.gz SLNHDVBNQUSLSV-GXTWGEPZSA-N 1 1 381.479 2.598 20 5 GFBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365488642 655394442 /nfs/dbraw/zinc/39/44/42/655394442.db2.gz WZQIXIIMFVFFNV-IACUBPJLSA-N 1 1 394.269 2.914 20 5 GFBDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000265783984 655490605 /nfs/dbraw/zinc/49/06/05/655490605.db2.gz PFQZXIBMXLXJQH-CYBMUJFWSA-N 1 1 378.738 2.521 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000752249054 655841317 /nfs/dbraw/zinc/84/13/17/655841317.db2.gz YEYCCUXLIFGOCS-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000775596590 656653541 /nfs/dbraw/zinc/65/35/41/656653541.db2.gz VZXQVPBLJBCDEY-YPMHNXCESA-N 1 1 389.905 2.955 20 5 GFBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000796196017 658900621 /nfs/dbraw/zinc/90/06/21/658900621.db2.gz BOXLKQNVWFKXQG-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161547 659077313 /nfs/dbraw/zinc/07/73/13/659077313.db2.gz AVBXZYRJCDPNJU-TXEJJXNPSA-N 1 1 399.289 2.850 20 5 GFBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)cc1Cl ZINC000800543458 659315817 /nfs/dbraw/zinc/31/58/17/659315817.db2.gz BYKGNMTXSUGRLO-UHFFFAOYSA-N 1 1 382.869 2.995 20 5 GFBDMO Cc1ccc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1Br ZINC000804461471 659648669 /nfs/dbraw/zinc/64/86/69/659648669.db2.gz IIZHXDXOHVCKGY-AWEZNQCLSA-N 1 1 397.317 2.882 20 5 GFBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000809381204 659925275 /nfs/dbraw/zinc/92/52/75/659925275.db2.gz VZFDFVQYHACZDX-UHFFFAOYSA-N 1 1 384.845 2.779 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813538 659940924 /nfs/dbraw/zinc/94/09/24/659940924.db2.gz ZKEWMAFNPWXHFX-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@H+]1C ZINC000809821099 659943007 /nfs/dbraw/zinc/94/30/07/659943007.db2.gz HWZSHNXAZJOJLK-BDAKNGLRSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034802 660105192 /nfs/dbraw/zinc/10/51/92/660105192.db2.gz CEAICPGLJNFALJ-GHMZBOCLSA-N 1 1 393.868 2.786 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000848509453 661658908 /nfs/dbraw/zinc/65/89/08/661658908.db2.gz VUVNSMVZXZOIKM-ZIAGYGMSSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000849411465 661718267 /nfs/dbraw/zinc/71/82/67/661718267.db2.gz KFZSCDNXTJDOOR-GFCCVEGCSA-N 1 1 389.905 2.955 20 5 GFBDMO C[N@H+]1CCCC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000858715488 662119971 /nfs/dbraw/zinc/11/99/71/662119971.db2.gz PDJYCKXHLMZGLR-LLVKDONJSA-N 1 1 377.413 2.735 20 5 GFBDMO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCOC1 ZINC000877407087 662875627 /nfs/dbraw/zinc/87/56/27/662875627.db2.gz YZHUNDRHLSOIEH-ZDUSSCGKSA-N 1 1 393.259 2.621 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000883148892 663050451 /nfs/dbraw/zinc/05/04/51/663050451.db2.gz NNEZTDRPOHFJNP-KBPBESRZSA-N 1 1 397.273 2.783 20 5 GFBDMO C[N@H+]1CCCC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000896447355 663558019 /nfs/dbraw/zinc/55/80/19/663558019.db2.gz UUZVWXMEUOKTKU-LBPRGKRZSA-N 1 1 399.289 2.888 20 5 GFBDMO CC[C@@H](CO)[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897237401 663596322 /nfs/dbraw/zinc/59/63/22/663596322.db2.gz IDZYLOUYDASYOJ-VIFPVBQESA-N 1 1 394.230 2.569 20 5 GFBDMO CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897342315 663601796 /nfs/dbraw/zinc/60/17/96/663601796.db2.gz ALSRMIZHJPHBCS-SNVBAGLBSA-N 1 1 376.276 2.813 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000919836310 664518585 /nfs/dbraw/zinc/51/85/85/664518585.db2.gz BFZMJEHCUQNWFT-VHSXEESVSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000919836310 664518586 /nfs/dbraw/zinc/51/85/86/664518586.db2.gz BFZMJEHCUQNWFT-VHSXEESVSA-N 1 1 394.280 2.759 20 5 GFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627170 719077612 /nfs/dbraw/zinc/07/76/12/719077612.db2.gz PNEBCMCPGIPYIY-SJORKVTESA-N 1 1 383.452 2.803 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807610 720080555 /nfs/dbraw/zinc/08/05/55/720080555.db2.gz GCWDAOLVXWHTEM-HRAATJIYSA-N 1 1 397.479 2.723 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cnc2c1 ZINC001164722164 720351698 /nfs/dbraw/zinc/35/16/98/720351698.db2.gz FGXZCHJCBDSRQX-RBUKOAKNSA-N 1 1 376.420 2.786 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834719 720510656 /nfs/dbraw/zinc/51/06/56/720510656.db2.gz HGYPYJCBZJIUTL-BHIYHBOVSA-N 1 1 384.484 2.873 20 5 GFBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@H]2C1 ZINC001164853311 720843506 /nfs/dbraw/zinc/84/35/06/720843506.db2.gz OFSCHPKCOYENBW-PMACEKPBSA-N 1 1 392.503 2.957 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164866853 721047774 /nfs/dbraw/zinc/04/77/74/721047774.db2.gz GHUXRKARBGJXFA-JKSUJKDBSA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930184 721882308 /nfs/dbraw/zinc/88/23/08/721882308.db2.gz CIPLZWVFSLCSHM-RTBURBONSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1cc(N2CC[C@@H]3[C@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930184 721882311 /nfs/dbraw/zinc/88/23/11/721882311.db2.gz CIPLZWVFSLCSHM-RTBURBONSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc([N+](=O)[O-])c(N)n4)CC3)C2)cc1 ZINC001164939163 721927947 /nfs/dbraw/zinc/92/79/47/721927947.db2.gz JROFLRMQXQCIHZ-UHFFFAOYSA-N 1 1 397.479 2.752 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996251 722203771 /nfs/dbraw/zinc/20/37/71/722203771.db2.gz SFAXOIYHQGVSJT-FQEVSTJZSA-N 1 1 386.427 2.921 20 5 GFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1(O)CCCC1 ZINC000152084981 551425908 /nfs/dbraw/zinc/42/59/08/551425908.db2.gz SKIGWFZUCATIDC-UHFFFAOYSA-N 1 1 386.246 2.533 20 5 GFBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000153026535 551444770 /nfs/dbraw/zinc/44/47/70/551444770.db2.gz GKDMHNJKGVHXCU-WCQYABFASA-N 1 1 384.274 2.841 20 5 GFBDMO CN(CC[N@@H+](C)C1CCCCC1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181469910 552257599 /nfs/dbraw/zinc/25/75/99/552257599.db2.gz NAWRNPRVXDENFR-UHFFFAOYSA-N 1 1 375.516 2.761 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000182539051 552287172 /nfs/dbraw/zinc/28/71/72/552287172.db2.gz UHTYCQWPPDPOBY-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246164993 553103285 /nfs/dbraw/zinc/10/32/85/553103285.db2.gz MCMJQCIIGFPDAZ-AAEUAGOBSA-N 1 1 375.878 2.599 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247517037 553123152 /nfs/dbraw/zinc/12/31/52/553123152.db2.gz NRCFFCGFTYQHQG-SWLSCSKDSA-N 1 1 387.889 2.661 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000247517020 553123281 /nfs/dbraw/zinc/12/32/81/553123281.db2.gz NRCFFCGFTYQHQG-IUODEOHRSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000249068162 553138186 /nfs/dbraw/zinc/13/81/86/553138186.db2.gz KKSFGEOQTCXNEJ-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369540569 563216093 /nfs/dbraw/zinc/21/60/93/563216093.db2.gz ORXRPIVAFGFNCN-BLLLJJGKSA-N 1 1 381.479 2.628 20 5 GFBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000420458159 563264419 /nfs/dbraw/zinc/26/44/19/563264419.db2.gz JUPVTDUIPMWCQI-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO Cc1nc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371338280 563273375 /nfs/dbraw/zinc/27/33/75/563273375.db2.gz ABRRYDWNGDDETJ-UHFFFAOYSA-N 1 1 384.845 2.568 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297623502 563331810 /nfs/dbraw/zinc/33/18/10/563331810.db2.gz BXPQEUFYNFYNAR-OAHLLOKOSA-N 1 1 383.246 2.917 20 5 GFBDMO C[C@@H]1CCC[N@H+](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301287618 563399456 /nfs/dbraw/zinc/39/94/56/563399456.db2.gz ZRZSVBQQPFQOHM-LLVKDONJSA-N 1 1 377.413 2.735 20 5 GFBDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301287618 563399459 /nfs/dbraw/zinc/39/94/59/563399459.db2.gz ZRZSVBQQPFQOHM-LLVKDONJSA-N 1 1 377.413 2.735 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@H]21 ZINC000375535545 563408878 /nfs/dbraw/zinc/40/88/78/563408878.db2.gz AGNMYJIEFVZJNU-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000290115193 563698959 /nfs/dbraw/zinc/69/89/59/563698959.db2.gz YCMDAWVBWGODNL-SNVBAGLBSA-N 1 1 376.194 2.668 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805950 563722169 /nfs/dbraw/zinc/72/21/69/563722169.db2.gz RUIYODSOSFJOLP-SKDRFNHKSA-N 1 1 396.296 2.862 20 5 GFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340565 563749821 /nfs/dbraw/zinc/74/98/21/563749821.db2.gz SAKMJKUVYWTHNE-GDBMZVCRSA-N 1 1 395.257 2.924 20 5 GFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340565 563749823 /nfs/dbraw/zinc/74/98/23/563749823.db2.gz SAKMJKUVYWTHNE-GDBMZVCRSA-N 1 1 395.257 2.924 20 5 GFBDMO Cn1cc[nH+]c1N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000292124239 563774502 /nfs/dbraw/zinc/77/45/02/563774502.db2.gz KTLWOLRPMIUWGQ-UHFFFAOYSA-N 1 1 384.223 2.598 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000564504407 564236416 /nfs/dbraw/zinc/23/64/16/564236416.db2.gz KCVIYXAEOFMVMF-NWDGAFQWSA-N 1 1 375.878 2.742 20 5 GFBDMO CCN1CCC([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000567088066 564356350 /nfs/dbraw/zinc/35/63/50/564356350.db2.gz VPQUGNKCKONNCW-UHFFFAOYSA-N 1 1 389.237 2.773 20 5 GFBDMO C[C@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307555 564698546 /nfs/dbraw/zinc/69/85/46/564698546.db2.gz VWMCLNHSPSYPNT-VIFPVBQESA-N 1 1 382.269 2.522 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[C@H]1O ZINC000554936126 564778292 /nfs/dbraw/zinc/77/82/92/564778292.db2.gz NYBVYVOBQAVOBJ-BXUZGUMPSA-N 1 1 390.221 2.792 20 5 GFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000498556257 564901655 /nfs/dbraw/zinc/90/16/55/564901655.db2.gz WMHIVDOOTJXEQQ-NEPJUHHUSA-N 1 1 384.274 2.841 20 5 GFBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500113486 564946172 /nfs/dbraw/zinc/94/61/72/564946172.db2.gz VKSBTTFNWYFQPV-CYBMUJFWSA-N 1 1 375.878 2.791 20 5 GFBDMO C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973718 565438071 /nfs/dbraw/zinc/43/80/71/565438071.db2.gz DNZWMVDFEJTNQZ-DGCLKSJQSA-N 1 1 381.479 2.774 20 5 GFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609353174 566036753 /nfs/dbraw/zinc/03/67/53/566036753.db2.gz PMYIEVPIQWRETK-TXEJJXNPSA-N 1 1 375.878 2.789 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269416 598869810 /nfs/dbraw/zinc/86/98/10/598869810.db2.gz WRWOJEHSVQHBCN-HUUCEWRRSA-N 1 1 385.472 2.866 20 5 GFBDMO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826500417 608515238 /nfs/dbraw/zinc/51/52/38/608515238.db2.gz XVCRVPNIJRHYHB-ALCCZGGFSA-N 1 1 391.435 2.610 20 5 GFBDMO C[C@H]1C[C@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266283433 654868865 /nfs/dbraw/zinc/86/88/65/654868865.db2.gz UTWMUTAXTZJQIS-WDEREUQCSA-N 1 1 377.413 2.510 20 5 GFBDMO C[C@H]1C[C@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266283433 654868867 /nfs/dbraw/zinc/86/88/67/654868867.db2.gz UTWMUTAXTZJQIS-WDEREUQCSA-N 1 1 377.413 2.510 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000101568763 655044135 /nfs/dbraw/zinc/04/41/35/655044135.db2.gz PLSGNQXOVHKOAF-LBPRGKRZSA-N 1 1 389.886 2.891 20 5 GFBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000839590871 661094347 /nfs/dbraw/zinc/09/43/47/661094347.db2.gz TWJAHAGPPBUUAK-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[C@@H]1C[N@H+](CCN(C)Cc2cccc([N+](=O)[O-])c2Br)C[C@H](C)O1 ZINC000839590871 661094350 /nfs/dbraw/zinc/09/43/50/661094350.db2.gz TWJAHAGPPBUUAK-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000772951107 656395185 /nfs/dbraw/zinc/39/51/85/656395185.db2.gz VLDPUPMYARBSTM-ZDUSSCGKSA-N 1 1 389.905 2.895 20 5 GFBDMO C[N@H+](CCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000841527525 661290999 /nfs/dbraw/zinc/29/09/99/661290999.db2.gz QFYKEVMXBWHTOM-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO C[N@@H+](CCCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CC1 ZINC000841527525 661291001 /nfs/dbraw/zinc/29/10/01/661291001.db2.gz QFYKEVMXBWHTOM-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO C[N@H+]1CCCC[C@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545969 659588335 /nfs/dbraw/zinc/58/83/35/659588335.db2.gz UIZMXWGUNUSMOD-HNNXBMFYSA-N 1 1 382.258 2.726 20 5 GFBDMO C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834851 659947272 /nfs/dbraw/zinc/94/72/72/659947272.db2.gz GTNSDXBSYSWUMK-SECBINFHSA-N 1 1 382.269 2.664 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034803 660105053 /nfs/dbraw/zinc/10/50/53/660105053.db2.gz CEAICPGLJNFALJ-MNOVXSKESA-N 1 1 393.868 2.786 20 5 GFBDMO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853764518 661899684 /nfs/dbraw/zinc/89/96/84/661899684.db2.gz WOOXCIDKKMABPF-SNVBAGLBSA-N 1 1 377.413 2.876 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853764518 661899686 /nfs/dbraw/zinc/89/96/86/661899686.db2.gz WOOXCIDKKMABPF-SNVBAGLBSA-N 1 1 377.413 2.876 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000859347802 662154926 /nfs/dbraw/zinc/15/49/26/662154926.db2.gz TXMGRMJZHRMZEO-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000859347802 662154928 /nfs/dbraw/zinc/15/49/28/662154928.db2.gz TXMGRMJZHRMZEO-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000864962123 662392636 /nfs/dbraw/zinc/39/26/36/662392636.db2.gz IJMQKRXRTJYIBI-GFCCVEGCSA-N 1 1 382.258 2.500 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1cccc(Br)c1[N+](=O)[O-])C2 ZINC000865903086 662450340 /nfs/dbraw/zinc/45/03/40/662450340.db2.gz CRIXTBFLBKLPTQ-LLVKDONJSA-N 1 1 395.257 2.824 20 5 GFBDMO C[C@@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000883601108 663057678 /nfs/dbraw/zinc/05/76/78/663057678.db2.gz QUTTXGBITHPKAL-LLVKDONJSA-N 1 1 397.273 2.807 20 5 GFBDMO O=C(N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897694808 663616203 /nfs/dbraw/zinc/61/62/03/663616203.db2.gz QCMODPXSULWDOV-KRWDZBQOSA-N 1 1 394.269 2.728 20 5 GFBDMO Cc1ccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cc1[N+](=O)[O-] ZINC000897977765 663628040 /nfs/dbraw/zinc/62/80/40/663628040.db2.gz KAXMTHMGVQXYPJ-CYBMUJFWSA-N 1 1 391.225 2.714 20 5 GFBDMO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000903327312 663782340 /nfs/dbraw/zinc/78/23/40/663782340.db2.gz ZQPNBUNAURKUJN-XPTSAGLGSA-N 1 1 391.225 2.966 20 5 GFBDMO c1cnc2c(c1)ccc1ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742357 720653894 /nfs/dbraw/zinc/65/38/94/720653894.db2.gz MZZCZBPOSMLTFY-OALUTQOASA-N 1 1 398.470 2.915 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871464 721075311 /nfs/dbraw/zinc/07/53/11/721075311.db2.gz YYSXCMJTKVCCFO-HOTGVXAUSA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164767334 721109185 /nfs/dbraw/zinc/10/91/85/721109185.db2.gz MWWSSXLKWRUPDS-CABCVRRESA-N 1 1 390.875 2.643 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@H]3C2)cn1 ZINC001164761879 721241662 /nfs/dbraw/zinc/24/16/62/721241662.db2.gz JRUBCWSMFKXZFJ-QZTJIDSGSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899722 721510929 /nfs/dbraw/zinc/51/09/29/721510929.db2.gz LYGFRUVHIBGWSJ-JSGCOSHPSA-N 1 1 393.806 2.519 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024804 721809634 /nfs/dbraw/zinc/80/96/34/721809634.db2.gz KQBRNPXKYWAJFP-CGTJXYLNSA-N 1 1 382.468 2.825 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001165024769 721816107 /nfs/dbraw/zinc/81/61/07/721816107.db2.gz KOUXLXASQGYPPN-HYVNUMGLSA-N 1 1 382.468 2.704 20 5 GFBDMO CNC(=O)c1ccc(N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)c([N+](=O)[O-])c1 ZINC000053554997 206208470 /nfs/dbraw/zinc/20/84/70/206208470.db2.gz NDDHENCMSHWBDC-UHFFFAOYSA-N 1 1 398.463 2.675 20 5 GFBDMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000123376581 551306040 /nfs/dbraw/zinc/30/60/40/551306040.db2.gz IFIPYMAEWDSSQU-ZDUSSCGKSA-N 1 1 387.483 2.919 20 5 GFBDMO C[N@H+](CCc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000159812786 551571633 /nfs/dbraw/zinc/57/16/33/551571633.db2.gz KFGLDYLCNVKRBT-UHFFFAOYSA-N 1 1 380.242 2.694 20 5 GFBDMO CC[N@H+]1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000175394123 552120822 /nfs/dbraw/zinc/12/08/22/552120822.db2.gz ZUYNTEPHKJZXNI-GFCCVEGCSA-N 1 1 375.878 2.661 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000180174561 552216252 /nfs/dbraw/zinc/21/62/52/552216252.db2.gz YZSXWJWDMCCCFF-OLZOCXBDSA-N 1 1 387.889 2.661 20 5 GFBDMO O=C(C[NH2+][C@H](CO)c1cccc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000183889374 552322116 /nfs/dbraw/zinc/32/21/16/552322116.db2.gz QBKSWMHQCFITCA-CQSZACIVSA-N 1 1 394.225 2.619 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000190426593 552495733 /nfs/dbraw/zinc/49/57/33/552495733.db2.gz BINKVOJYPRBBPE-YPMHNXCESA-N 1 1 382.258 2.914 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000245681097 553094962 /nfs/dbraw/zinc/09/49/62/553094962.db2.gz KKWAVDSSWDFQTL-IAQYHMDHSA-N 1 1 382.258 2.914 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)s1 ZINC000261771431 553158510 /nfs/dbraw/zinc/15/85/10/553158510.db2.gz SEORPWNOUVXJPS-LBPRGKRZSA-N 1 1 387.870 2.645 20 5 GFBDMO CCc1ccc([C@@H]2C[NH2+]CCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000261794017 553159217 /nfs/dbraw/zinc/15/92/17/553159217.db2.gz VFASBLVFLFUOOY-AWEZNQCLSA-N 1 1 381.479 2.554 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369539352 563215989 /nfs/dbraw/zinc/21/59/89/563215989.db2.gz IAPKAXXKRVGUHP-WBMJQRKESA-N 1 1 381.479 2.628 20 5 GFBDMO O=C1CC[C@H](C[N@@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCN1 ZINC000295384163 563244662 /nfs/dbraw/zinc/24/46/62/563244662.db2.gz QJCMVYKTUIIDQA-NSHDSACASA-N 1 1 382.258 2.632 20 5 GFBDMO O=C1CC[C@H](C[N@H+]2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CCN1 ZINC000295384163 563244664 /nfs/dbraw/zinc/24/46/64/563244664.db2.gz QJCMVYKTUIIDQA-NSHDSACASA-N 1 1 382.258 2.632 20 5 GFBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301214506 563396412 /nfs/dbraw/zinc/39/64/12/563396412.db2.gz ZCWGJDFUMJVEJG-OAHLLOKOSA-N 1 1 397.317 2.964 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@H]21 ZINC000376729789 563452289 /nfs/dbraw/zinc/45/22/89/563452289.db2.gz STWQBZUJRSBWNJ-NOZJJQNGSA-N 1 1 386.221 2.663 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000330923774 563527328 /nfs/dbraw/zinc/52/73/28/563527328.db2.gz SQESCCBONZIEOF-LBPRGKRZSA-N 1 1 375.878 2.743 20 5 GFBDMO CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440833226 563751072 /nfs/dbraw/zinc/75/10/72/563751072.db2.gz NOZDEFWADNFIBS-JTQLQIEISA-N 1 1 382.269 2.664 20 5 GFBDMO Cc1c(Br)c(=O)n(Cc2[nH+]ccn2CC(F)(F)F)cc1[N+](=O)[O-] ZINC000542217431 564304831 /nfs/dbraw/zinc/30/48/31/564304831.db2.gz SPKCMEFHGJTZMI-UHFFFAOYSA-N 1 1 395.135 2.635 20 5 GFBDMO C[C@@]1(O)CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568495876 564421113 /nfs/dbraw/zinc/42/11/13/564421113.db2.gz IIGTXJLLLZJRPG-CQSZACIVSA-N 1 1 390.221 2.936 20 5 GFBDMO C[C@@]1(O)CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568495876 564421115 /nfs/dbraw/zinc/42/11/15/564421115.db2.gz IIGTXJLLLZJRPG-CQSZACIVSA-N 1 1 390.221 2.936 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000515739898 564486998 /nfs/dbraw/zinc/48/69/98/564486998.db2.gz IQOWFZJIVUTFCF-GFCCVEGCSA-N 1 1 387.889 2.743 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000519488971 564578812 /nfs/dbraw/zinc/57/88/12/564578812.db2.gz XFIIHZRUMCJCGN-UHFFFAOYSA-N 1 1 375.878 2.791 20 5 GFBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000574047321 564666033 /nfs/dbraw/zinc/66/60/33/564666033.db2.gz WVOGUKKJJBALMJ-INIZCTEOSA-N 1 1 383.857 2.829 20 5 GFBDMO CC(C)[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000489345930 564736764 /nfs/dbraw/zinc/73/67/64/564736764.db2.gz GTCZHADNZUMIJI-HNNXBMFYSA-N 1 1 384.274 2.698 20 5 GFBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462146543 564823994 /nfs/dbraw/zinc/82/39/94/564823994.db2.gz OHJFDVQXUZPWMU-NSHDSACASA-N 1 1 394.280 2.759 20 5 GFBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462146543 564824000 /nfs/dbraw/zinc/82/40/00/564824000.db2.gz OHJFDVQXUZPWMU-NSHDSACASA-N 1 1 394.280 2.759 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000498053880 564887230 /nfs/dbraw/zinc/88/72/30/564887230.db2.gz FXRYAVJJFSYJLQ-LBPRGKRZSA-N 1 1 384.274 2.748 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000597923773 565581741 /nfs/dbraw/zinc/58/17/41/565581741.db2.gz PKALCDGHVAGBSM-LBPRGKRZSA-N 1 1 384.274 2.889 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599976969 565709160 /nfs/dbraw/zinc/70/91/60/565709160.db2.gz FNHBGHQLGZZADA-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000602801972 565869394 /nfs/dbraw/zinc/86/93/94/565869394.db2.gz WDSCOKDUWCYQNS-CQSZACIVSA-N 1 1 383.246 2.528 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000610268106 566074027 /nfs/dbraw/zinc/07/40/27/566074027.db2.gz ZJTVGUDDJDUFJR-AWEZNQCLSA-N 1 1 381.479 2.551 20 5 GFBDMO Cn1cc[nH+]c1C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000822699220 599091219 /nfs/dbraw/zinc/09/12/19/599091219.db2.gz SMNUQGAEDIAWDK-KRWDZBQOSA-N 1 1 390.407 2.904 20 5 GFBDMO C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727450 599109397 /nfs/dbraw/zinc/10/93/97/599109397.db2.gz MBAZORAFODWXFM-HNNXBMFYSA-N 1 1 393.451 2.876 20 5 GFBDMO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1Cl ZINC000821581631 599246873 /nfs/dbraw/zinc/24/68/73/599246873.db2.gz QVDMERCTCQUNBU-AWEZNQCLSA-N 1 1 388.819 2.538 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668773 606875343 /nfs/dbraw/zinc/87/53/43/606875343.db2.gz WELBVAPBBAEXTQ-UKRRQHHQSA-N 1 1 379.424 2.850 20 5 GFBDMO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499342 608466740 /nfs/dbraw/zinc/46/67/40/608466740.db2.gz FFQMUESDQSPHNQ-LJQANCHMSA-N 1 1 392.419 2.598 20 5 GFBDMO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499474 608466857 /nfs/dbraw/zinc/46/68/57/608466857.db2.gz JZDSZVXATOJGDX-UHFFFAOYSA-N 1 1 392.419 2.943 20 5 GFBDMO C[N@H+](CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000820482268 660295039 /nfs/dbraw/zinc/29/50/39/660295039.db2.gz ZEVJUIOHENLVPI-GFCCVEGCSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000820482268 660295042 /nfs/dbraw/zinc/29/50/42/660295042.db2.gz ZEVJUIOHENLVPI-GFCCVEGCSA-N 1 1 389.271 2.838 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1Cl ZINC000830435458 660656771 /nfs/dbraw/zinc/65/67/71/660656771.db2.gz TZNIHETXSWPZMU-SNVBAGLBSA-N 1 1 394.280 2.664 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000068951229 654969904 /nfs/dbraw/zinc/96/99/04/654969904.db2.gz DLAIADXLYYKIBM-OAHLLOKOSA-N 1 1 394.225 2.552 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000069137363 654974550 /nfs/dbraw/zinc/97/45/50/654974550.db2.gz WLFFQWVXSAKAIM-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000135164648 655011053 /nfs/dbraw/zinc/01/10/53/655011053.db2.gz YWTYDHCQQSPVMX-OAHLLOKOSA-N 1 1 396.216 2.855 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3cncn3)CC2)ccc1Br ZINC000275127408 655218333 /nfs/dbraw/zinc/21/83/33/655218333.db2.gz JLFRAFPDVJDYDK-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000119331653 655299186 /nfs/dbraw/zinc/29/91/86/655299186.db2.gz PVGFPFWBHFXMEG-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO C[N@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@@H](c2ccccc2)C1 ZINC000226935895 655422732 /nfs/dbraw/zinc/42/27/32/655422732.db2.gz PFTVZJINFWZQSR-CQSZACIVSA-N 1 1 380.246 2.500 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000575931131 655440251 /nfs/dbraw/zinc/44/02/51/655440251.db2.gz SNIZYURFQBBACU-GFCCVEGCSA-N 1 1 387.889 2.743 20 5 GFBDMO COCC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000577051893 655456559 /nfs/dbraw/zinc/45/65/59/655456559.db2.gz WHNGIHIFFGOVOB-UHFFFAOYSA-N 1 1 376.194 2.810 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000740893718 655700391 /nfs/dbraw/zinc/70/03/91/655700391.db2.gz BSWAOAOUZUOSSU-AAEUAGOBSA-N 1 1 375.878 2.742 20 5 GFBDMO O=[N+]([O-])c1nn(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)cc1Br ZINC000753099683 655850493 /nfs/dbraw/zinc/85/04/93/655850493.db2.gz GYLHPAMEQACKOJ-AWEZNQCLSA-N 1 1 395.257 2.845 20 5 GFBDMO O=[N+]([O-])c1nn(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)cc1Br ZINC000753099683 655850494 /nfs/dbraw/zinc/85/04/94/655850494.db2.gz GYLHPAMEQACKOJ-AWEZNQCLSA-N 1 1 395.257 2.845 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754994526 655878075 /nfs/dbraw/zinc/87/80/75/655878075.db2.gz QJNPNQWAXDQYKW-JTQLQIEISA-N 1 1 388.237 2.958 20 5 GFBDMO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767636233 656212073 /nfs/dbraw/zinc/21/20/73/656212073.db2.gz DNFFMIVAMLDDIW-UHFFFAOYSA-N 1 1 375.878 2.649 20 5 GFBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000767636233 656212076 /nfs/dbraw/zinc/21/20/76/656212076.db2.gz DNFFMIVAMLDDIW-UHFFFAOYSA-N 1 1 375.878 2.649 20 5 GFBDMO C[C@@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000783724976 657254544 /nfs/dbraw/zinc/25/45/44/657254544.db2.gz ZNAURHWSHYVKRX-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809735060 659937842 /nfs/dbraw/zinc/93/78/42/659937842.db2.gz WHMGFMUYIDCRGR-UHFFFAOYSA-N 1 1 399.333 2.815 20 5 GFBDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809735060 659937844 /nfs/dbraw/zinc/93/78/44/659937844.db2.gz WHMGFMUYIDCRGR-UHFFFAOYSA-N 1 1 399.333 2.815 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000851894392 661843862 /nfs/dbraw/zinc/84/38/62/661843862.db2.gz CGFRXZLVQQOAOX-ZDUSSCGKSA-N 1 1 387.889 2.649 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866048976 662458480 /nfs/dbraw/zinc/45/84/80/662458480.db2.gz DQYWDQLUGJPTCV-YPMHNXCESA-N 1 1 384.274 2.841 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874833451 662837776 /nfs/dbraw/zinc/83/77/76/662837776.db2.gz NBGVBAMHFFSCFH-KBPBESRZSA-N 1 1 382.258 2.974 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(CCO)(CCO)CC2)ccc1Br ZINC000877692011 662881932 /nfs/dbraw/zinc/88/19/32/662881932.db2.gz QRMHJZDOWWUFLA-UHFFFAOYSA-N 1 1 387.274 2.704 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000882022972 663013963 /nfs/dbraw/zinc/01/39/63/663013963.db2.gz TUGHWJWXKMELDP-NSHDSACASA-N 1 1 388.237 2.655 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883134193 663050118 /nfs/dbraw/zinc/05/01/18/663050118.db2.gz REYHXHGHQQFXCN-ZIAGYGMSSA-N 1 1 397.273 2.783 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000900641682 663718623 /nfs/dbraw/zinc/71/86/23/663718623.db2.gz ZBGQKWHOQMJFRQ-UHFFFAOYSA-N 1 1 380.246 2.983 20 5 GFBDMO C[C@@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000903327313 663782284 /nfs/dbraw/zinc/78/22/84/663782284.db2.gz ZQPNBUNAURKUJN-YMTOWFKASA-N 1 1 391.225 2.966 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807615 720082452 /nfs/dbraw/zinc/08/24/52/720082452.db2.gz GCWDAOLVXWHTEM-IIBYNOLFSA-N 1 1 397.479 2.723 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834722 720510496 /nfs/dbraw/zinc/51/04/96/720510496.db2.gz HGYPYJCBZJIUTL-YTQUADARSA-N 1 1 384.484 2.873 20 5 GFBDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]2C1 ZINC001164853323 720843494 /nfs/dbraw/zinc/84/34/94/720843494.db2.gz OFSCHPKCOYENBW-WOJBJXKFSA-N 1 1 392.503 2.957 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871468 721075776 /nfs/dbraw/zinc/07/57/76/721075776.db2.gz YYSXCMJTKVCCFO-JKSUJKDBSA-N 1 1 389.843 2.518 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@H]3C2)cn1 ZINC001164762111 721117034 /nfs/dbraw/zinc/11/70/34/721117034.db2.gz BYAMSYIXXAHPNX-IAGOWNOFSA-N 1 1 392.463 2.835 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164763233 721183222 /nfs/dbraw/zinc/18/32/22/721183222.db2.gz DUEDFZDBPZUBJK-ZWKOTPCHSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cnc2c1 ZINC001164782846 721398065 /nfs/dbraw/zinc/39/80/65/721398065.db2.gz GAXOFVQRBBAUFK-CHWSQXEVSA-N 1 1 382.449 2.563 20 5 GFBDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164795677 721527418 /nfs/dbraw/zinc/52/74/18/721527418.db2.gz RFRQVZHWGLEBKU-WSTZPKSXSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164795677 721527421 /nfs/dbraw/zinc/52/74/21/721527421.db2.gz RFRQVZHWGLEBKU-WSTZPKSXSA-N 1 1 383.452 2.561 20 5 GFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955056 722012622 /nfs/dbraw/zinc/01/26/22/722012622.db2.gz SBLSJVQFASMYDO-UHFFFAOYSA-N 1 1 388.859 2.926 20 5 GFBDMO C[N@@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC000155474524 551500211 /nfs/dbraw/zinc/50/02/11/551500211.db2.gz OGYNHOWSIZUQMQ-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO C[N@H+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C2(CCCCC2)C1 ZINC000155474524 551500212 /nfs/dbraw/zinc/50/02/12/551500212.db2.gz OGYNHOWSIZUQMQ-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCO1 ZINC000172172190 551671897 /nfs/dbraw/zinc/67/18/97/551671897.db2.gz ZIKOHVRPWOPEHB-LBPRGKRZSA-N 1 1 386.246 2.797 20 5 GFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCO1 ZINC000172172190 551671898 /nfs/dbraw/zinc/67/18/98/551671898.db2.gz ZIKOHVRPWOPEHB-LBPRGKRZSA-N 1 1 386.246 2.797 20 5 GFBDMO Cc1cnc([C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185327154 552360720 /nfs/dbraw/zinc/36/07/20/552360720.db2.gz YHVMSTXTFLJGGL-OAHLLOKOSA-N 1 1 381.479 2.874 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246370528 553107288 /nfs/dbraw/zinc/10/72/88/553107288.db2.gz LQABRIXGWWFRLF-ZIAGYGMSSA-N 1 1 387.527 2.931 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301305363 563399925 /nfs/dbraw/zinc/39/99/25/563399925.db2.gz UGFPWYFCULNPEO-AWEZNQCLSA-N 1 1 383.290 2.574 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000375537947 563408755 /nfs/dbraw/zinc/40/87/55/563408755.db2.gz VOAVQEXADLUERR-YGRLFVJLSA-N 1 1 383.246 2.915 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C[C@@H]21 ZINC000375535547 563409081 /nfs/dbraw/zinc/40/90/81/563409081.db2.gz AGNMYJIEFVZJNU-YGRLFVJLSA-N 1 1 383.246 2.915 20 5 GFBDMO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425471844 563423520 /nfs/dbraw/zinc/42/35/20/563423520.db2.gz HLWSVLPYRZCAJZ-NSHDSACASA-N 1 1 392.257 2.939 20 5 GFBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425471844 563423522 /nfs/dbraw/zinc/42/35/22/563423522.db2.gz HLWSVLPYRZCAJZ-NSHDSACASA-N 1 1 392.257 2.939 20 5 GFBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302275853 563424309 /nfs/dbraw/zinc/42/43/09/563424309.db2.gz IVIMRXKIFPPILZ-CQSZACIVSA-N 1 1 387.267 2.644 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077893 563735673 /nfs/dbraw/zinc/73/56/73/563735673.db2.gz KTXFBOJUNPAUMT-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292374474 563784318 /nfs/dbraw/zinc/78/43/18/563784318.db2.gz ZIAJXHASEGGZRW-LBPRGKRZSA-N 1 1 390.267 2.868 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416368620 563818418 /nfs/dbraw/zinc/81/84/18/563818418.db2.gz HRDOLJZRKWLBMV-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(C)C ZINC000416475625 563835216 /nfs/dbraw/zinc/83/52/16/563835216.db2.gz VCPKPOHTSQXXOC-UHFFFAOYSA-N 1 1 383.392 2.622 20 5 GFBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCCS3(=O)=O)cs2)c1 ZINC000544180152 564378219 /nfs/dbraw/zinc/37/82/19/564378219.db2.gz ARYMVNCSAGYLFW-HNNXBMFYSA-N 1 1 381.479 2.775 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000515733936 564486404 /nfs/dbraw/zinc/48/64/04/564486404.db2.gz AUDKWLBKNCEWCB-NSHDSACASA-N 1 1 375.878 2.567 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000518658882 564559848 /nfs/dbraw/zinc/55/98/48/564559848.db2.gz ZERAGMALEPVPRU-RYUDHWBXSA-N 1 1 375.878 2.789 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cc[nH+]1 ZINC000463847819 564891963 /nfs/dbraw/zinc/89/19/63/564891963.db2.gz GWAXSMYWKJRGRY-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1F ZINC000467973406 564975986 /nfs/dbraw/zinc/97/59/86/564975986.db2.gz CCGGLKNSVATNSR-OAHLLOKOSA-N 1 1 396.216 2.855 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000536523001 565039081 /nfs/dbraw/zinc/03/90/81/565039081.db2.gz UHBFULZADXUMEP-HNNXBMFYSA-N 1 1 394.225 2.552 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000585698995 565105571 /nfs/dbraw/zinc/10/55/71/565105571.db2.gz ZDADYKDSCIPLHN-GFCCVEGCSA-N 1 1 382.258 2.880 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165267 565179833 /nfs/dbraw/zinc/17/98/33/565179833.db2.gz BDVIYLUXVPYWHB-MRXNPFEDSA-N 1 1 387.889 2.663 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000593731793 565358156 /nfs/dbraw/zinc/35/81/56/565358156.db2.gz FGHLXCCRWHQQPV-UHFFFAOYSA-N 1 1 382.269 2.570 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000599704878 565697345 /nfs/dbraw/zinc/69/73/45/565697345.db2.gz WQYGAZPMUZRFHU-WCQYABFASA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CCCF)CC1 ZINC000600075191 565713202 /nfs/dbraw/zinc/71/32/02/565713202.db2.gz AHAREEXQBKPNJS-UHFFFAOYSA-N 1 1 388.237 2.783 20 5 GFBDMO C[N@@H+]1CCN(CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1(C)C ZINC000602658345 565861368 /nfs/dbraw/zinc/86/13/68/565861368.db2.gz UWJCZDTWDGKZNB-UHFFFAOYSA-N 1 1 391.335 2.534 20 5 GFBDMO C[N@H+]1CCN(CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1(C)C ZINC000602658345 565861370 /nfs/dbraw/zinc/86/13/70/565861370.db2.gz UWJCZDTWDGKZNB-UHFFFAOYSA-N 1 1 391.335 2.534 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609196202 566032209 /nfs/dbraw/zinc/03/22/09/566032209.db2.gz FWSWMLGHMPZWHQ-GFCCVEGCSA-N 1 1 375.878 2.791 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267832 598869795 /nfs/dbraw/zinc/86/97/95/598869795.db2.gz PKKRBUGVYPVJEI-LSDHHAIUSA-N 1 1 385.472 2.866 20 5 GFBDMO C[C@H](c1cccc(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000736200085 598796659 /nfs/dbraw/zinc/79/66/59/598796659.db2.gz RMDRJRBBMHBFNZ-CYBMUJFWSA-N 1 1 395.423 2.912 20 5 GFBDMO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820571449 599561416 /nfs/dbraw/zinc/56/14/16/599561416.db2.gz YREFBDMKHWELNP-OAHLLOKOSA-N 1 1 393.451 2.654 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[N@@H+](C)C1CC1 ZINC000830371380 660650729 /nfs/dbraw/zinc/65/07/29/660650729.db2.gz APNMDUDGNNVKOH-MRVPVSSYSA-N 1 1 382.269 2.663 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122830845 654744189 /nfs/dbraw/zinc/74/41/89/654744189.db2.gz XPJSCPDLEHAVHQ-CQSZACIVSA-N 1 1 387.458 2.685 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822294 654821818 /nfs/dbraw/zinc/82/18/18/654821818.db2.gz XRTUCWQJGZLKEX-DGCLKSJQSA-N 1 1 387.527 2.896 20 5 GFBDMO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133562659 654967626 /nfs/dbraw/zinc/96/76/26/654967626.db2.gz OXVYKHFPWMPDHD-UWVGGRQHSA-N 1 1 375.397 2.628 20 5 GFBDMO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133562659 654967628 /nfs/dbraw/zinc/96/76/28/654967628.db2.gz OXVYKHFPWMPDHD-UWVGGRQHSA-N 1 1 375.397 2.628 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000269001220 654994697 /nfs/dbraw/zinc/99/46/97/654994697.db2.gz PDHMLSAUVNDUQG-RISCZKNCSA-N 1 1 382.258 2.914 20 5 GFBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839612081 661095764 /nfs/dbraw/zinc/09/57/64/661095764.db2.gz AOQWDOIONTVGLY-LLVKDONJSA-N 1 1 384.230 2.631 20 5 GFBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839612081 661095767 /nfs/dbraw/zinc/09/57/67/661095767.db2.gz AOQWDOIONTVGLY-LLVKDONJSA-N 1 1 384.230 2.631 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)s1 ZINC000115586492 655239633 /nfs/dbraw/zinc/23/96/33/655239633.db2.gz DOEFJCCJSOLMJF-UHFFFAOYSA-N 1 1 387.508 2.661 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cs1 ZINC000119346614 655299865 /nfs/dbraw/zinc/29/98/65/655299865.db2.gz MZJPVONFLFJSCU-LBPRGKRZSA-N 1 1 387.508 2.833 20 5 GFBDMO C[C@H]1CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120568648 655339506 /nfs/dbraw/zinc/33/95/06/655339506.db2.gz LWYHATPUFRQHRI-LBPRGKRZSA-N 1 1 384.274 2.748 20 5 GFBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000575039679 655434598 /nfs/dbraw/zinc/43/45/98/655434598.db2.gz YPHUOCHHCVFLES-HNNXBMFYSA-N 1 1 391.225 2.539 20 5 GFBDMO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411523 655717912 /nfs/dbraw/zinc/71/79/12/655717912.db2.gz HABLXCGGHAMDLY-NXEZZACHSA-N 1 1 381.376 2.783 20 5 GFBDMO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411523 655717913 /nfs/dbraw/zinc/71/79/13/655717913.db2.gz HABLXCGGHAMDLY-NXEZZACHSA-N 1 1 381.376 2.783 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000770381225 656318032 /nfs/dbraw/zinc/31/80/32/656318032.db2.gz JSGDNXFGPIPHAJ-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000784706442 657322680 /nfs/dbraw/zinc/32/26/80/657322680.db2.gz DBPXEUWKPAKGFB-GFCCVEGCSA-N 1 1 375.878 2.708 20 5 GFBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440399 658819492 /nfs/dbraw/zinc/81/94/92/658819492.db2.gz UBRVKPNUOXAPKH-CMPLNLGQSA-N 1 1 398.257 2.506 20 5 GFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440399 658819497 /nfs/dbraw/zinc/81/94/97/658819497.db2.gz UBRVKPNUOXAPKH-CMPLNLGQSA-N 1 1 398.257 2.506 20 5 GFBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701189 659936408 /nfs/dbraw/zinc/93/64/08/659936408.db2.gz VHTNSRLHDPUHFS-OLZOCXBDSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701189 659936409 /nfs/dbraw/zinc/93/64/09/659936409.db2.gz VHTNSRLHDPUHFS-OLZOCXBDSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825601 659944266 /nfs/dbraw/zinc/94/42/66/659944266.db2.gz JNRBSPGZICIXQJ-QPUJVOFHSA-N 1 1 394.280 2.663 20 5 GFBDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825601 659944267 /nfs/dbraw/zinc/94/42/67/659944267.db2.gz JNRBSPGZICIXQJ-QPUJVOFHSA-N 1 1 394.280 2.663 20 5 GFBDMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813379785 660052539 /nfs/dbraw/zinc/05/25/39/660052539.db2.gz HLQRWWGTMCHMSL-LBPRGKRZSA-N 1 1 390.267 2.988 20 5 GFBDMO CO[C@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351708 662241609 /nfs/dbraw/zinc/24/16/09/662241609.db2.gz VINUWQGXVGEKCL-UKRRQHHQSA-N 1 1 387.230 2.623 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867812925 662579455 /nfs/dbraw/zinc/57/94/55/662579455.db2.gz OAMZNBYNZVCNSW-JOYOIKCWSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869416625 662645978 /nfs/dbraw/zinc/64/59/78/662645978.db2.gz QKOOMCDTFUBSKJ-CYBMUJFWSA-N 1 1 384.274 2.748 20 5 GFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000885886197 663100585 /nfs/dbraw/zinc/10/05/85/663100585.db2.gz SUKPHQLOFWCVII-GFCCVEGCSA-N 1 1 388.251 2.885 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000887926381 663170274 /nfs/dbraw/zinc/17/02/74/663170274.db2.gz HENRCUXFKHAPHG-BZNIZROVSA-N 1 1 382.258 2.689 20 5 GFBDMO C[N@H+]1CCCC12CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)CC2 ZINC000935216353 664946557 /nfs/dbraw/zinc/94/65/57/664946557.db2.gz AAWADIMTUGHBQS-UHFFFAOYSA-N 1 1 397.273 2.640 20 5 GFBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc([N+](=O)[O-])cc[n+]2[O-])CC3)cs1 ZINC001164691466 719803762 /nfs/dbraw/zinc/80/37/62/719803762.db2.gz HNMBUNCZLBVVRR-UHFFFAOYSA-N 1 1 389.481 2.628 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815898 720134926 /nfs/dbraw/zinc/13/49/26/720134926.db2.gz XFALOKUGNOOKSL-MGPUTAFESA-N 1 1 385.468 2.656 20 5 GFBDMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840798 720510071 /nfs/dbraw/zinc/51/00/71/720510071.db2.gz XNJCHMIHDIKMMG-RCCFBDPRSA-N 1 1 384.484 2.873 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@@H]3C2)cn1 ZINC001164762113 721115321 /nfs/dbraw/zinc/11/53/21/721115321.db2.gz BYAMSYIXXAHPNX-IRXDYDNUSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122469217 551298382 /nfs/dbraw/zinc/29/83/82/551298382.db2.gz QAUUARFCVBDKAR-DOMZBBRYSA-N 1 1 387.889 2.661 20 5 GFBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000152363538 551431398 /nfs/dbraw/zinc/43/13/98/551431398.db2.gz PRZAXGRVXNVNRO-LBPRGKRZSA-N 1 1 399.289 2.569 20 5 GFBDMO C[NH+](C)CCN(Cc1ccccc1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181530069 552259537 /nfs/dbraw/zinc/25/95/37/552259537.db2.gz QKADVZXKTCHXQC-UHFFFAOYSA-N 1 1 383.495 2.628 20 5 GFBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261785656 553159267 /nfs/dbraw/zinc/15/92/67/553159267.db2.gz UJHWSTCKHWDDFM-OAHLLOKOSA-N 1 1 381.841 2.583 20 5 GFBDMO CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+]1C ZINC000421001885 563293363 /nfs/dbraw/zinc/29/33/63/563293363.db2.gz QCMXSXIZDUJNCD-ZDUSSCGKSA-N 1 1 389.237 2.725 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000373180474 563331072 /nfs/dbraw/zinc/33/10/72/563331072.db2.gz USGDAPCDLOTMPR-YGRLFVJLSA-N 1 1 383.246 2.915 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375059519 563388512 /nfs/dbraw/zinc/38/85/12/563388512.db2.gz JTTUSMAALMNYNX-NHYWBVRUSA-N 1 1 382.258 2.832 20 5 GFBDMO NC(=O)C[NH+]1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000301094297 563393111 /nfs/dbraw/zinc/39/31/11/563393111.db2.gz UGTVRGIIYQWGTI-UHFFFAOYSA-N 1 1 380.754 2.629 20 5 GFBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395267 563518657 /nfs/dbraw/zinc/51/86/57/563518657.db2.gz ARQMGEUBHUDAHQ-GXTWGEPZSA-N 1 1 384.274 2.652 20 5 GFBDMO O=C([C@H]1CCC[N@H+]1C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286337658 563557032 /nfs/dbraw/zinc/55/70/32/563557032.db2.gz RUVLDGSLCAFAEE-MRXNPFEDSA-N 1 1 394.269 2.869 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332046519 563572606 /nfs/dbraw/zinc/57/26/06/563572606.db2.gz MKBGQIYKAQGVAC-HUUCEWRRSA-N 1 1 382.258 2.643 20 5 GFBDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000292198473 563777970 /nfs/dbraw/zinc/77/79/70/563777970.db2.gz ZNYRVCYZKHSODD-SECBINFHSA-N 1 1 376.226 2.955 20 5 GFBDMO CC[N@@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000564435611 564233238 /nfs/dbraw/zinc/23/32/38/564233238.db2.gz JUKQMDSPWUDBSX-TXEJJXNPSA-N 1 1 384.274 2.841 20 5 GFBDMO O=C1CC[C@H]([NH+]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450892000 564254238 /nfs/dbraw/zinc/25/42/38/564254238.db2.gz MGLQMRLMIJJURC-LBPRGKRZSA-N 1 1 387.267 2.692 20 5 GFBDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000543621377 564356520 /nfs/dbraw/zinc/35/65/20/564356520.db2.gz OEKCWHOPFKMDLY-UHFFFAOYSA-N 1 1 384.841 2.820 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000517870013 564543262 /nfs/dbraw/zinc/54/32/62/564543262.db2.gz QSNJPERJPAZLPR-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO CC[N@H+]1CC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253356 564630258 /nfs/dbraw/zinc/63/02/58/564630258.db2.gz JPKGKXMFFCTVBJ-LLVKDONJSA-N 1 1 389.237 2.631 20 5 GFBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000554921788 564777401 /nfs/dbraw/zinc/77/74/01/564777401.db2.gz APLKICXFMIORSK-LBPRGKRZSA-N 1 1 389.886 2.891 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000531269363 564905654 /nfs/dbraw/zinc/90/56/54/564905654.db2.gz MBZWPJPUOYLOPZ-LBPRGKRZSA-N 1 1 384.274 2.746 20 5 GFBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000500113487 564946186 /nfs/dbraw/zinc/94/61/86/564946186.db2.gz VKSBTTFNWYFQPV-ZDUSSCGKSA-N 1 1 375.878 2.791 20 5 GFBDMO CC[N@H+]1CCCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000561398142 564993954 /nfs/dbraw/zinc/99/39/54/564993954.db2.gz PZIHOLSOCBDHMR-UHFFFAOYSA-N 1 1 389.237 2.727 20 5 GFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614172 565050403 /nfs/dbraw/zinc/05/04/03/565050403.db2.gz TWLOJQDNYRIAQT-XQQFMLRXSA-N 1 1 389.905 2.893 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599413546 565677052 /nfs/dbraw/zinc/67/70/52/565677052.db2.gz ZTQSZEISDLVIRS-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000599704876 565697717 /nfs/dbraw/zinc/69/77/17/565697717.db2.gz WQYGAZPMUZRFHU-AAEUAGOBSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000602801951 565869123 /nfs/dbraw/zinc/86/91/23/565869123.db2.gz WDSCOKDUWCYQNS-AWEZNQCLSA-N 1 1 383.246 2.528 20 5 GFBDMO CC1(C)[C@H]([NH+]2CCOCC2)C[C@@H]1Nc1ncc([N+](=O)[O-])cc1Br ZINC000603400491 565902182 /nfs/dbraw/zinc/90/21/82/565902182.db2.gz YMOKQEJUYGRKTF-QWHCGFSZSA-N 1 1 385.262 2.664 20 5 GFBDMO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263217 566073801 /nfs/dbraw/zinc/07/38/01/566073801.db2.gz AWTRJLBNMJJKDJ-SECBINFHSA-N 1 1 382.269 2.522 20 5 GFBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263217 566073803 /nfs/dbraw/zinc/07/38/03/566073803.db2.gz AWTRJLBNMJJKDJ-SECBINFHSA-N 1 1 382.269 2.522 20 5 GFBDMO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1Cl ZINC000821581632 599247138 /nfs/dbraw/zinc/24/71/38/599247138.db2.gz QVDMERCTCQUNBU-CQSZACIVSA-N 1 1 388.819 2.538 20 5 GFBDMO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000820711411 599477821 /nfs/dbraw/zinc/47/78/21/599477821.db2.gz YQDFDYHFISFWHH-OLZOCXBDSA-N 1 1 396.455 2.855 20 5 GFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820571326 599569593 /nfs/dbraw/zinc/56/95/93/599569593.db2.gz YHPUGMJQXNYAIP-AWEZNQCLSA-N 1 1 379.424 2.658 20 5 GFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399413 607553263 /nfs/dbraw/zinc/55/32/63/607553263.db2.gz SEJBIGLKGFXUKC-UGSOOPFHSA-N 1 1 382.424 2.891 20 5 GFBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619390 606044472 /nfs/dbraw/zinc/04/44/72/606044472.db2.gz VCNLXPGFARDZDA-KRWDZBQOSA-N 1 1 393.451 2.876 20 5 GFBDMO CC(C)C[N@H+]1CC[C@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092082 606808802 /nfs/dbraw/zinc/80/88/02/606808802.db2.gz HDGBMOUGTLFEIT-CYBMUJFWSA-N 1 1 396.455 2.713 20 5 GFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820120812 606857245 /nfs/dbraw/zinc/85/72/45/606857245.db2.gz KDHJYMBUZQAILD-GOSISDBHSA-N 1 1 382.424 2.719 20 5 GFBDMO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668774 606875633 /nfs/dbraw/zinc/87/56/33/606875633.db2.gz WELBVAPBBAEXTQ-ZFWWWQNUSA-N 1 1 379.424 2.850 20 5 GFBDMO COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000826159121 608567476 /nfs/dbraw/zinc/56/74/76/608567476.db2.gz RKQOLMVFUWUKPV-UHFFFAOYSA-N 1 1 382.424 2.732 20 5 GFBDMO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000826159121 608567479 /nfs/dbraw/zinc/56/74/79/608567479.db2.gz RKQOLMVFUWUKPV-UHFFFAOYSA-N 1 1 382.424 2.732 20 5 GFBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000823205423 660365018 /nfs/dbraw/zinc/36/50/18/660365018.db2.gz OYWUCWRCGROZKN-LLVKDONJSA-N 1 1 384.230 2.631 20 5 GFBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000823205423 660365020 /nfs/dbraw/zinc/36/50/20/660365020.db2.gz OYWUCWRCGROZKN-LLVKDONJSA-N 1 1 384.230 2.631 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C1CC1 ZINC000830348267 660649585 /nfs/dbraw/zinc/64/95/85/660649585.db2.gz FGPRSEXFKSTWIK-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000124938048 654783941 /nfs/dbraw/zinc/78/39/41/654783941.db2.gz KQPQDKRUSDXKQO-OCCSQVGLSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266283429 654868918 /nfs/dbraw/zinc/86/89/18/654868918.db2.gz UTWMUTAXTZJQIS-MNOVXSKESA-N 1 1 377.413 2.510 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266283429 654868924 /nfs/dbraw/zinc/86/89/24/654868924.db2.gz UTWMUTAXTZJQIS-MNOVXSKESA-N 1 1 377.413 2.510 20 5 GFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940695 654953251 /nfs/dbraw/zinc/95/32/51/654953251.db2.gz RXJLIQLSESAMMX-NWDGAFQWSA-N 1 1 386.221 2.853 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940687 654953378 /nfs/dbraw/zinc/95/33/78/654953378.db2.gz RWHCHPGLQPFBNA-SKDRFNHKSA-N 1 1 388.237 2.909 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272824184 655122428 /nfs/dbraw/zinc/12/24/28/655122428.db2.gz JPKXTJSHEIKPQG-LBPRGKRZSA-N 1 1 375.516 2.840 20 5 GFBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530554 661090117 /nfs/dbraw/zinc/09/01/17/661090117.db2.gz ACBISZRXTKAEAA-OLZOCXBDSA-N 1 1 382.258 2.848 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000176084439 655234662 /nfs/dbraw/zinc/23/46/62/655234662.db2.gz IJZMKYBRXJYNKY-AWEZNQCLSA-N 1 1 382.258 2.597 20 5 GFBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365488640 655394446 /nfs/dbraw/zinc/39/44/46/655394446.db2.gz WZQIXIIMFVFFNV-FPMFFAJLSA-N 1 1 394.269 2.914 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247979586 655432189 /nfs/dbraw/zinc/43/21/89/655432189.db2.gz MCCPMQUZFCFCMM-GXTWGEPZSA-N 1 1 387.889 2.661 20 5 GFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000575174630 655436700 /nfs/dbraw/zinc/43/67/00/655436700.db2.gz LYFPECCUVKHIMS-VIFPVBQESA-N 1 1 377.344 2.600 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000575922387 655440013 /nfs/dbraw/zinc/44/00/13/655440013.db2.gz WBIDYCZWGBLFGI-JTQLQIEISA-N 1 1 382.269 2.712 20 5 GFBDMO Cc1cc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596540985 655516439 /nfs/dbraw/zinc/51/64/39/655516439.db2.gz XQFDEZRMYKKTQL-CYBMUJFWSA-N 1 1 384.274 2.701 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000840338632 661155534 /nfs/dbraw/zinc/15/55/34/661155534.db2.gz DBGYPGOWXVHIHT-NSHDSACASA-N 1 1 377.413 2.735 20 5 GFBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733318558 655612178 /nfs/dbraw/zinc/61/21/78/655612178.db2.gz AAIXZFHLBIVVGA-CYBMUJFWSA-N 1 1 375.878 2.791 20 5 GFBDMO CC1(C)[C@@H]2C[N@@H+](CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000795430746 658818231 /nfs/dbraw/zinc/81/82/31/658818231.db2.gz GOEBABOCRYZMQP-TXEJJXNPSA-N 1 1 380.242 2.858 20 5 GFBDMO CC1(C)[C@@H]2C[N@H+](CN3Cc4cc(Br)c([N+](=O)[O-])cc4C3=O)C[C@@H]21 ZINC000795430746 658818237 /nfs/dbraw/zinc/81/82/37/658818237.db2.gz GOEBABOCRYZMQP-TXEJJXNPSA-N 1 1 380.242 2.858 20 5 GFBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000808355978 659892409 /nfs/dbraw/zinc/89/24/09/659892409.db2.gz RBWZFEUABUCJSN-LBPRGKRZSA-N 1 1 377.894 2.955 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846056588 661527624 /nfs/dbraw/zinc/52/76/24/661527624.db2.gz ONGKQYGMGMMSOB-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848509450 661659020 /nfs/dbraw/zinc/65/90/20/661659020.db2.gz VUVNSMVZXZOIKM-KBPBESRZSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849411602 661718272 /nfs/dbraw/zinc/71/82/72/661718272.db2.gz OWWXPFNKYRUJND-GFCCVEGCSA-N 1 1 389.905 2.955 20 5 GFBDMO CO[C@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCOC1 ZINC000852021928 661849623 /nfs/dbraw/zinc/84/96/23/661849623.db2.gz MLEPYELOZREULT-MEDUHNTESA-N 1 1 385.258 2.767 20 5 GFBDMO CO[C@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCOC1 ZINC000852021928 661849626 /nfs/dbraw/zinc/84/96/26/661849626.db2.gz MLEPYELOZREULT-MEDUHNTESA-N 1 1 385.258 2.767 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000864962124 662392626 /nfs/dbraw/zinc/39/26/26/662392626.db2.gz IJMQKRXRTJYIBI-LBPRGKRZSA-N 1 1 382.258 2.500 20 5 GFBDMO C[N@@H+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCC1(C)C ZINC000866113681 662460886 /nfs/dbraw/zinc/46/08/86/662460886.db2.gz CGIQMTMLRSMWFC-UHFFFAOYSA-N 1 1 377.413 2.512 20 5 GFBDMO C[N@H+]1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CCC1(C)C ZINC000866113681 662460892 /nfs/dbraw/zinc/46/08/92/662460892.db2.gz CGIQMTMLRSMWFC-UHFFFAOYSA-N 1 1 377.413 2.512 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836277 662837896 /nfs/dbraw/zinc/83/78/96/662837896.db2.gz DYOLIJLWYQLEGV-LSDHHAIUSA-N 1 1 382.258 2.595 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000882635646 663034368 /nfs/dbraw/zinc/03/43/68/663034368.db2.gz JACNNQHBLQLPCN-GFCCVEGCSA-N 1 1 388.237 2.532 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)s2)cc1 ZINC000897618882 663613980 /nfs/dbraw/zinc/61/39/80/663613980.db2.gz JRODMOTZNPQCQZ-OKILXGFUSA-N 1 1 378.475 2.800 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CS(=O)(=O)C[C@@H]4C3)s2)cc1 ZINC000897618882 663613982 /nfs/dbraw/zinc/61/39/82/663613982.db2.gz JRODMOTZNPQCQZ-OKILXGFUSA-N 1 1 378.475 2.800 20 5 GFBDMO C[C@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000907516630 664042767 /nfs/dbraw/zinc/04/27/67/664042767.db2.gz GPRVRDFLKACJKO-IUCAKERBSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@H](O)C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000907516630 664042771 /nfs/dbraw/zinc/04/27/71/664042771.db2.gz GPRVRDFLKACJKO-IUCAKERBSA-N 1 1 394.230 2.568 20 5 GFBDMO Cn1cc(C[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)c([N+](=O)[O-])n1 ZINC000932813700 664839644 /nfs/dbraw/zinc/83/96/44/664839644.db2.gz COJJFLZWUCSOSW-INIZCTEOSA-N 1 1 395.257 2.574 20 5 GFBDMO Cn1cc(C[N@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)c([N+](=O)[O-])n1 ZINC000932813700 664839646 /nfs/dbraw/zinc/83/96/46/664839646.db2.gz COJJFLZWUCSOSW-INIZCTEOSA-N 1 1 395.257 2.574 20 5 GFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)n1 ZINC001164856116 720937422 /nfs/dbraw/zinc/93/74/22/720937422.db2.gz AIWARKCLHQITFF-LLVKDONJSA-N 1 1 393.879 2.965 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164785153 721406143 /nfs/dbraw/zinc/40/61/43/721406143.db2.gz LHCGKDGVTRBCNI-CHWSQXEVSA-N 1 1 382.449 2.563 20 5 GFBDMO CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014651393 207026209 /nfs/dbraw/zinc/02/62/09/207026209.db2.gz UCSZGQCYTBIKFE-UHFFFAOYSA-N 1 1 381.436 2.961 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030361881 207369279 /nfs/dbraw/zinc/36/92/79/207369279.db2.gz WWXBLKNWTRYWOR-INIZCTEOSA-N 1 1 375.450 2.538 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030361881 207369284 /nfs/dbraw/zinc/36/92/84/207369284.db2.gz WWXBLKNWTRYWOR-INIZCTEOSA-N 1 1 375.450 2.538 20 5 GFBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162076110 551602979 /nfs/dbraw/zinc/60/29/79/551602979.db2.gz OFGGENQOESIPJB-ZDUSSCGKSA-N 1 1 398.301 2.994 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)c1 ZINC000174740478 552109118 /nfs/dbraw/zinc/10/91/18/552109118.db2.gz CNRSAWALEUYQRV-HOTGVXAUSA-N 1 1 395.257 2.752 20 5 GFBDMO C[N@@H+](CCn1cc(Br)c(=O)c([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000185695228 552369143 /nfs/dbraw/zinc/36/91/43/552369143.db2.gz XGMSFEZCCRDIED-UHFFFAOYSA-N 1 1 384.205 2.790 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248549056 553131140 /nfs/dbraw/zinc/13/11/40/553131140.db2.gz KAHJCRWYJUUFGU-QWHCGFSZSA-N 1 1 387.889 2.661 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375059520 563388627 /nfs/dbraw/zinc/38/86/27/563388627.db2.gz JTTUSMAALMNYNX-XHDPSFHLSA-N 1 1 382.258 2.832 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301412583 563402820 /nfs/dbraw/zinc/40/28/20/563402820.db2.gz ZCEJLGVOXNNSCB-CQSZACIVSA-N 1 1 383.290 2.574 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000377883006 563490000 /nfs/dbraw/zinc/49/00/00/563490000.db2.gz HUDAGBLBZRQGPS-NOZJJQNGSA-N 1 1 394.280 2.616 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000332234174 563585982 /nfs/dbraw/zinc/58/59/82/563585982.db2.gz QFZDPFXHFANNCL-LBPRGKRZSA-N 1 1 375.878 2.661 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CNCCO3)o2)c(Br)c1 ZINC000415093123 563758706 /nfs/dbraw/zinc/75/87/06/563758706.db2.gz HNMRUPKRKIPBMK-CYBMUJFWSA-N 1 1 396.241 2.695 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000294378456 563840489 /nfs/dbraw/zinc/84/04/89/563840489.db2.gz ZVWFUNKZVFALCV-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543120 563847749 /nfs/dbraw/zinc/84/77/49/563847749.db2.gz XWPVFFUTEDHDLG-JSGCOSHPSA-N 1 1 382.258 2.848 20 5 GFBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000520073837 564596879 /nfs/dbraw/zinc/59/68/79/564596879.db2.gz WVYQWMCPNDICER-OAHLLOKOSA-N 1 1 383.495 2.800 20 5 GFBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000521222371 564621994 /nfs/dbraw/zinc/62/19/94/564621994.db2.gz WDONMELHEDQKLS-SNVBAGLBSA-N 1 1 383.392 2.621 20 5 GFBDMO C[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000486748969 564665704 /nfs/dbraw/zinc/66/57/04/564665704.db2.gz OFHRHZNASZNZAH-GFCCVEGCSA-N 1 1 377.388 2.667 20 5 GFBDMO C[N@H+]1CCC[C@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978086 564780256 /nfs/dbraw/zinc/78/02/56/564780256.db2.gz FQNBLLBJPIROTA-LLVKDONJSA-N 1 1 389.237 2.631 20 5 GFBDMO C[NH+]1CCC(CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462260556 564829554 /nfs/dbraw/zinc/82/95/54/564829554.db2.gz PRBADTLLEGVKDP-UHFFFAOYSA-N 1 1 396.296 2.912 20 5 GFBDMO C[N@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000467152286 564956815 /nfs/dbraw/zinc/95/68/15/564956815.db2.gz OPHXNTYSAIMDFG-GFCCVEGCSA-N 1 1 386.246 2.797 20 5 GFBDMO C[N@@H+](CC[C@H]1CCCO1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000467152286 564956817 /nfs/dbraw/zinc/95/68/17/564956817.db2.gz OPHXNTYSAIMDFG-GFCCVEGCSA-N 1 1 386.246 2.797 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467788587 564972692 /nfs/dbraw/zinc/97/26/92/564972692.db2.gz NFYGSSYYRHRAOF-ZDUSSCGKSA-N 1 1 387.889 2.601 20 5 GFBDMO C[NH+](C)C1CCN(CCNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602587466 565856173 /nfs/dbraw/zinc/85/61/73/565856173.db2.gz HLSVYGLMKOKGCE-UHFFFAOYSA-N 1 1 391.335 2.534 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135165 566068430 /nfs/dbraw/zinc/06/84/30/566068430.db2.gz LWFGSBSDSAUNPN-DGCLKSJQSA-N 1 1 375.878 2.742 20 5 GFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820698250 599543717 /nfs/dbraw/zinc/54/37/17/599543717.db2.gz RUBQDMCGGMLTTR-BETUJISGSA-N 1 1 396.455 2.998 20 5 GFBDMO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500864 608464884 /nfs/dbraw/zinc/46/48/84/608464884.db2.gz PAKULOHXVIURQV-UHFFFAOYSA-N 1 1 392.419 2.943 20 5 GFBDMO CCCNC(=O)C[NH+]1CCC(Nc2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000820624607 660300871 /nfs/dbraw/zinc/30/08/71/660300871.db2.gz SHTIMVPZHLUEQT-UHFFFAOYSA-N 1 1 399.289 2.760 20 5 GFBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000830021800 660630837 /nfs/dbraw/zinc/63/08/37/660630837.db2.gz JEZOMSOFLUJPIN-GOEBONIOSA-N 1 1 383.901 2.877 20 5 GFBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC000123474460 654756996 /nfs/dbraw/zinc/75/69/96/654756996.db2.gz VGMAZYIBMPTKDX-JTQLQIEISA-N 1 1 375.256 2.901 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@H](C)C1 ZINC000124281438 654773711 /nfs/dbraw/zinc/77/37/11/654773711.db2.gz HDRVBFUKZFIOTJ-TZMCWYRMSA-N 1 1 389.905 2.907 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124283180 654773803 /nfs/dbraw/zinc/77/38/03/654773803.db2.gz AAJJBLZEGCXFJA-VXGBXAGGSA-N 1 1 375.878 2.660 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000271412471 655080276 /nfs/dbraw/zinc/08/02/76/655080276.db2.gz PVXHMUOOIOIREJ-YPMHNXCESA-N 1 1 385.511 2.513 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000271412471 655080279 /nfs/dbraw/zinc/08/02/79/655080279.db2.gz PVXHMUOOIOIREJ-YPMHNXCESA-N 1 1 385.511 2.513 20 5 GFBDMO CS(=O)(=O)CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000174940933 655210903 /nfs/dbraw/zinc/21/09/03/655210903.db2.gz ARFSFCZWHVCAEZ-UHFFFAOYSA-N 1 1 381.479 2.633 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754987653 655877801 /nfs/dbraw/zinc/87/78/01/655877801.db2.gz LVBFEHDWKFSLKN-JTQLQIEISA-N 1 1 388.237 2.957 20 5 GFBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000761533557 656017964 /nfs/dbraw/zinc/01/79/64/656017964.db2.gz ULOTZIIBTPIQAU-ZDUSSCGKSA-N 1 1 378.738 2.521 20 5 GFBDMO C[C@H]1CN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1CC(C)(C)O ZINC000783724977 657254792 /nfs/dbraw/zinc/25/47/92/657254792.db2.gz ZNAURHWSHYVKRX-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161567 659077506 /nfs/dbraw/zinc/07/75/06/659077506.db2.gz BUADHIPXYKIFBF-GFCCVEGCSA-N 1 1 399.289 2.994 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000798228637 659087372 /nfs/dbraw/zinc/08/73/72/659087372.db2.gz ODZJBGRFGDXQAW-NSHDSACASA-N 1 1 393.868 2.740 20 5 GFBDMO Cc1ccc(N2CCN(c3[nH+]ccn3C)CC2)c([N+](=O)[O-])c1Br ZINC000804466431 659648862 /nfs/dbraw/zinc/64/88/62/659648862.db2.gz YVPQNBZFMJTIOC-UHFFFAOYSA-N 1 1 380.246 2.726 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809445 659940616 /nfs/dbraw/zinc/94/06/16/659940616.db2.gz XZCAIRDUTPZTLI-VXGBXAGGSA-N 1 1 394.280 2.807 20 5 GFBDMO CO[C@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCOC1 ZINC000852021926 661849572 /nfs/dbraw/zinc/84/95/72/661849572.db2.gz MLEPYELOZREULT-BDJLRTHQSA-N 1 1 385.258 2.767 20 5 GFBDMO CO[C@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCOC1 ZINC000852021926 661849575 /nfs/dbraw/zinc/84/95/75/661849575.db2.gz MLEPYELOZREULT-BDJLRTHQSA-N 1 1 385.258 2.767 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864942904 662392049 /nfs/dbraw/zinc/39/20/49/662392049.db2.gz NNSPIYWICUFAIH-LLVKDONJSA-N 1 1 395.257 2.857 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@@H]21 ZINC000867809185 662578165 /nfs/dbraw/zinc/57/81/65/662578165.db2.gz QCKJJZPWUAEWGZ-CABZTGNLSA-N 1 1 394.280 2.616 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869226633 662636304 /nfs/dbraw/zinc/63/63/04/662636304.db2.gz YBNHDVMVVUAADG-LBPRGKRZSA-N 1 1 384.274 2.889 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878480101 662897146 /nfs/dbraw/zinc/89/71/46/662897146.db2.gz MDXHPUVDPQRKLW-LBPRGKRZSA-N 1 1 399.289 2.887 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000884957229 663079620 /nfs/dbraw/zinc/07/96/20/663079620.db2.gz MWQPGJKNILWOLN-VHSXEESVSA-N 1 1 394.280 2.807 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000889718263 663259487 /nfs/dbraw/zinc/25/94/87/663259487.db2.gz JCLRBKMEBDUYQE-INIZCTEOSA-N 1 1 397.273 2.595 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447594 663558100 /nfs/dbraw/zinc/55/81/00/663558100.db2.gz ZAHGCVZNDKSQNA-KBPBESRZSA-N 1 1 397.273 2.735 20 5 GFBDMO COc1cc(C)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164648134 719310510 /nfs/dbraw/zinc/31/05/10/719310510.db2.gz FLRUXLSXDCDWPV-UHFFFAOYSA-N 1 1 388.472 2.709 20 5 GFBDMO Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164706691 719903595 /nfs/dbraw/zinc/90/35/95/719903595.db2.gz JYHFCSZEPBOMAP-UHFFFAOYSA-N 1 1 389.481 2.626 20 5 GFBDMO Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ncc1[N+](=O)[O-] ZINC001164706691 719903611 /nfs/dbraw/zinc/90/36/11/719903611.db2.gz JYHFCSZEPBOMAP-UHFFFAOYSA-N 1 1 389.481 2.626 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806868 720073181 /nfs/dbraw/zinc/07/31/81/720073181.db2.gz DMTUBMCDRVJVHZ-KDOFPFPSSA-N 1 1 380.876 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721785 720373969 /nfs/dbraw/zinc/37/39/69/720373969.db2.gz BAPLPAKWXOVEEU-RBUKOAKNSA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870906 721046571 /nfs/dbraw/zinc/04/65/71/721046571.db2.gz XJQMUJCVHAOPOA-JKSUJKDBSA-N 1 1 389.843 2.518 20 5 GFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164899720 721511114 /nfs/dbraw/zinc/51/11/14/721511114.db2.gz LYGFRUVHIBGWSJ-GXTWGEPZSA-N 1 1 393.806 2.519 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806747 721559806 /nfs/dbraw/zinc/55/98/06/721559806.db2.gz ROTVJYSFHGQMEY-BJLQDIEVSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1 ZINC001164806747 721559809 /nfs/dbraw/zinc/55/98/09/721559809.db2.gz ROTVJYSFHGQMEY-BJLQDIEVSA-N 1 1 397.479 2.870 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccco1 ZINC000128066348 551346003 /nfs/dbraw/zinc/34/60/03/551346003.db2.gz CXBVHCIBRBCPLQ-ZDUSSCGKSA-N 1 1 382.214 2.983 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153003295 551444917 /nfs/dbraw/zinc/44/49/17/551444917.db2.gz OOKSFJCNZQZLQK-NHYWBVRUSA-N 1 1 384.274 2.698 20 5 GFBDMO NC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000157150856 551533964 /nfs/dbraw/zinc/53/39/64/551533964.db2.gz IJDMSVVSYSBXHI-SNVBAGLBSA-N 1 1 394.225 2.925 20 5 GFBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000158597251 551554343 /nfs/dbraw/zinc/55/43/43/551554343.db2.gz UUUZQLBTSVYKHB-GFCCVEGCSA-N 1 1 387.889 2.886 20 5 GFBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000162076007 551603300 /nfs/dbraw/zinc/60/33/00/551603300.db2.gz OFGGENQOESIPJB-CYBMUJFWSA-N 1 1 398.301 2.994 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173954955 552095634 /nfs/dbraw/zinc/09/56/34/552095634.db2.gz DUCSNNUOIRQCOT-GFCCVEGCSA-N 1 1 375.878 2.601 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176723428 552144474 /nfs/dbraw/zinc/14/44/74/552144474.db2.gz XZRIIYLNVKRJHP-AAEUAGOBSA-N 1 1 375.878 2.517 20 5 GFBDMO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C(F)(F)F)cs1 ZINC000185982476 552376472 /nfs/dbraw/zinc/37/64/72/552376472.db2.gz BMUWXDJCCQWLOP-JTQLQIEISA-N 1 1 376.360 2.973 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246508477 553109070 /nfs/dbraw/zinc/10/90/70/553109070.db2.gz YBNYBUMOSVYPBE-SMDDNHRTSA-N 1 1 375.878 2.599 20 5 GFBDMO C[C@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295233226 563237608 /nfs/dbraw/zinc/23/76/08/563237608.db2.gz BWACTJBCPJVLLH-LLVKDONJSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291605 563240645 /nfs/dbraw/zinc/24/06/45/563240645.db2.gz UEDILRKSBQVPGO-MWLCHTKSSA-N 1 1 396.296 2.862 20 5 GFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ncc(Br)cc2[N+](=O)[O-])C1 ZINC000370643508 563250682 /nfs/dbraw/zinc/25/06/82/563250682.db2.gz AHPGVFJJTLMWSS-LLVKDONJSA-N 1 1 380.246 2.945 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](C2CCOCC2)CC1 ZINC000291492882 563745336 /nfs/dbraw/zinc/74/53/36/563745336.db2.gz MWRXSSYKSAQNSI-UHFFFAOYSA-N 1 1 388.251 2.838 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000291994881 563768348 /nfs/dbraw/zinc/76/83/48/563768348.db2.gz SGSPHINZQTYRDX-LLVKDONJSA-N 1 1 388.251 2.696 20 5 GFBDMO Cc1c[nH+]ccc1OC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000365827067 563794222 /nfs/dbraw/zinc/79/42/22/563794222.db2.gz RQDUDCFRNFLHDM-UHFFFAOYSA-N 1 1 383.451 2.592 20 5 GFBDMO C[C@]1(O)CCC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568495875 564421174 /nfs/dbraw/zinc/42/11/74/564421174.db2.gz IIGTXJLLLZJRPG-AWEZNQCLSA-N 1 1 390.221 2.936 20 5 GFBDMO C[C@]1(O)CCC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000568495875 564421177 /nfs/dbraw/zinc/42/11/77/564421177.db2.gz IIGTXJLLLZJRPG-AWEZNQCLSA-N 1 1 390.221 2.936 20 5 GFBDMO CCc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000515378970 564477668 /nfs/dbraw/zinc/47/76/68/564477668.db2.gz BYHGTFFQKUERLY-HNNXBMFYSA-N 1 1 383.495 2.800 20 5 GFBDMO CCc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000515378971 564477787 /nfs/dbraw/zinc/47/77/87/564477787.db2.gz BYHGTFFQKUERLY-OAHLLOKOSA-N 1 1 383.495 2.800 20 5 GFBDMO COc1cc(CSC[C@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000571083841 564535544 /nfs/dbraw/zinc/53/55/44/564535544.db2.gz VPNYWZPPMLOCFI-LLVKDONJSA-N 1 1 378.397 2.769 20 5 GFBDMO COc1cc(CSC[C@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000571083841 564535545 /nfs/dbraw/zinc/53/55/45/564535545.db2.gz VPNYWZPPMLOCFI-LLVKDONJSA-N 1 1 378.397 2.769 20 5 GFBDMO C[N@@H+](CC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000486748970 564665432 /nfs/dbraw/zinc/66/54/32/564665432.db2.gz OFHRHZNASZNZAH-LBPRGKRZSA-N 1 1 377.388 2.667 20 5 GFBDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554934870 564778478 /nfs/dbraw/zinc/77/84/78/564778478.db2.gz KVCQRMUKOYMJAO-GHMZBOCLSA-N 1 1 389.237 2.724 20 5 GFBDMO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462431878 564838600 /nfs/dbraw/zinc/83/86/00/564838600.db2.gz YJPUTYWGHIFKJG-VIFPVBQESA-N 1 1 384.285 2.910 20 5 GFBDMO CCC[C@@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499656660 564932511 /nfs/dbraw/zinc/93/25/11/564932511.db2.gz LQAMDTVDBQWCQN-CYBMUJFWSA-N 1 1 387.278 2.689 20 5 GFBDMO COCC1([N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)CC1 ZINC000589258169 565159263 /nfs/dbraw/zinc/15/92/63/565159263.db2.gz KIQIWLMAESFNPW-UHFFFAOYSA-N 1 1 376.194 2.810 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854431 565430728 /nfs/dbraw/zinc/43/07/28/565430728.db2.gz KJQISJGBJKOAGW-LBPRGKRZSA-N 1 1 387.889 2.934 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C2)C1 ZINC000599974770 565709483 /nfs/dbraw/zinc/70/94/83/565709483.db2.gz FULHRNQVFOYYHT-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO CCN1CCN([C@@H](C)C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602515902 565852693 /nfs/dbraw/zinc/85/26/93/565852693.db2.gz SXGPDZOJLDCUCG-NSHDSACASA-N 1 1 391.335 2.534 20 5 GFBDMO CN1CCC([N@H+]2CC[C@@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000609571048 566044307 /nfs/dbraw/zinc/04/43/07/566044307.db2.gz IXRAYBRUORDBEJ-CYBMUJFWSA-N 1 1 383.290 2.938 20 5 GFBDMO C[NH+]1CCC(N2CC[C@@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000609571048 566044311 /nfs/dbraw/zinc/04/43/11/566044311.db2.gz IXRAYBRUORDBEJ-CYBMUJFWSA-N 1 1 383.290 2.938 20 5 GFBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820728545 606138804 /nfs/dbraw/zinc/13/88/04/606138804.db2.gz XCJHSXXUXQWYHJ-HNNXBMFYSA-N 1 1 393.451 2.876 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000826498480 608173359 /nfs/dbraw/zinc/17/33/59/608173359.db2.gz WRTZRFFTUHWYNF-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000826287952 608584854 /nfs/dbraw/zinc/58/48/54/608584854.db2.gz KMFHFVKPZJLLRG-UHFFFAOYSA-N 1 1 393.451 2.796 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000055591537 654779245 /nfs/dbraw/zinc/77/92/45/654779245.db2.gz NRTNRWZCPJRMGR-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C(C)(C)CN1CCOCC1 ZINC000839674373 661099546 /nfs/dbraw/zinc/09/95/46/661099546.db2.gz NXEITLGRVNNQHD-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1Br ZINC000839497310 661087615 /nfs/dbraw/zinc/08/76/15/661087615.db2.gz HEOOPGHZERKJJS-ZDUSSCGKSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1Br ZINC000839497310 661087619 /nfs/dbraw/zinc/08/76/19/661087619.db2.gz HEOOPGHZERKJJS-ZDUSSCGKSA-N 1 1 384.274 2.511 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120559346 655339036 /nfs/dbraw/zinc/33/90/36/655339036.db2.gz SJQDYPFGOACOBK-LBPRGKRZSA-N 1 1 384.274 2.890 20 5 GFBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814358 656252549 /nfs/dbraw/zinc/25/25/49/656252549.db2.gz QVHQBQYUZANUGF-GXTWGEPZSA-N 1 1 381.479 2.770 20 5 GFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814358 656252553 /nfs/dbraw/zinc/25/25/53/656252553.db2.gz QVHQBQYUZANUGF-GXTWGEPZSA-N 1 1 381.479 2.770 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768845130 656255585 /nfs/dbraw/zinc/25/55/85/656255585.db2.gz ZNSOYPCVOJMCNT-AWEZNQCLSA-N 1 1 381.479 2.551 20 5 GFBDMO CC(C)[N@@H+](C)CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790711431 658014876 /nfs/dbraw/zinc/01/48/76/658014876.db2.gz NQGVVXISZYSBPG-UHFFFAOYSA-N 1 1 399.289 2.765 20 5 GFBDMO COC(C)(C)C[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795436702 658818885 /nfs/dbraw/zinc/81/88/85/658818885.db2.gz NYQRSWAZIJFIEE-UHFFFAOYSA-N 1 1 386.246 2.627 20 5 GFBDMO COC(C)(C)C[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795436702 658818892 /nfs/dbraw/zinc/81/88/92/658818892.db2.gz NYQRSWAZIJFIEE-UHFFFAOYSA-N 1 1 386.246 2.627 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000809820035 659942701 /nfs/dbraw/zinc/94/27/01/659942701.db2.gz LESHDNDHRMZOCH-QWRGUYRKSA-N 1 1 393.868 2.881 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@H+]1C ZINC000809821101 659942870 /nfs/dbraw/zinc/94/28/70/659942870.db2.gz HWZSHNXAZJOJLK-IUCAKERBSA-N 1 1 382.269 2.663 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cn3cnnc3)CC2)c1Br ZINC000844412424 661419857 /nfs/dbraw/zinc/41/98/57/661419857.db2.gz VRIOUDRBXWDLCW-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO CN(CC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000845770261 661495833 /nfs/dbraw/zinc/49/58/33/661495833.db2.gz SMKKYXWFUUOYTN-UHFFFAOYSA-N 1 1 377.413 2.513 20 5 GFBDMO C[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000867307370 662541124 /nfs/dbraw/zinc/54/11/24/662541124.db2.gz ZCIWIZLXTIXFDW-NSHDSACASA-N 1 1 382.258 2.666 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881985683 663012444 /nfs/dbraw/zinc/01/24/44/663012444.db2.gz RKFGRUNEHGLAIU-UHFFFAOYSA-N 1 1 390.253 2.779 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000889726945 663261450 /nfs/dbraw/zinc/26/14/50/663261450.db2.gz YQXVLFPBSGBACH-RISCZKNCSA-N 1 1 399.289 2.981 20 5 GFBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896138683 663542239 /nfs/dbraw/zinc/54/22/39/663542239.db2.gz SZEGEBWDSQNRNP-SECBINFHSA-N 1 1 394.230 2.881 20 5 GFBDMO CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C)C1 ZINC000896447573 663558069 /nfs/dbraw/zinc/55/80/69/663558069.db2.gz YHTQINUPDJIMNF-CYBMUJFWSA-N 1 1 385.262 2.593 20 5 GFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627163 719077583 /nfs/dbraw/zinc/07/75/83/719077583.db2.gz PNEBCMCPGIPYIY-IAGOWNOFSA-N 1 1 383.452 2.803 20 5 GFBDMO Cc1nc(Cl)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-] ZINC001164647303 719307111 /nfs/dbraw/zinc/30/71/11/719307111.db2.gz LVHPRGPAHCBJPZ-UHFFFAOYSA-N 1 1 393.879 2.748 20 5 GFBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164839416 720519949 /nfs/dbraw/zinc/51/99/49/720519949.db2.gz UDAWPBMUSJCJQU-PVAVHDDUSA-N 1 1 388.447 2.703 20 5 GFBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC001164838470 720528937 /nfs/dbraw/zinc/52/89/37/720528937.db2.gz OADWRNZXEZSAKD-ZVZYQTTQSA-N 1 1 388.447 2.703 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870905 721047022 /nfs/dbraw/zinc/04/70/22/721047022.db2.gz XJQMUJCVHAOPOA-HZPDHXFCSA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164767248 721104247 /nfs/dbraw/zinc/10/42/47/721104247.db2.gz LZZFVVAORYWLOU-GJZGRUSLSA-N 1 1 390.875 2.643 20 5 GFBDMO COc1ncnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1[N+](=O)[O-] ZINC001164792296 721495350 /nfs/dbraw/zinc/49/53/50/721495350.db2.gz NFFLJPNWRMVKDX-UHFFFAOYSA-N 1 1 398.467 2.669 20 5 GFBDMO COCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)C ZINC000026449834 551120965 /nfs/dbraw/zinc/12/09/65/551120965.db2.gz CKZWLBXSDIGTEF-UHFFFAOYSA-N 1 1 388.262 2.900 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000124278904 551313053 /nfs/dbraw/zinc/31/30/53/551313053.db2.gz GGLWSJWPNOERTI-WCQYABFASA-N 1 1 375.878 2.517 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152853709 551441224 /nfs/dbraw/zinc/44/12/24/551441224.db2.gz ZYMQJWXJUVZSRI-JSGCOSHPSA-N 1 1 387.889 2.661 20 5 GFBDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247438375 553122033 /nfs/dbraw/zinc/12/20/33/553122033.db2.gz RUZUUCKNDOGBJD-XHDPSFHLSA-N 1 1 384.274 2.745 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000247710362 553125062 /nfs/dbraw/zinc/12/50/62/553125062.db2.gz ZZCFKLFWUUDKJZ-HZPDHXFCSA-N 1 1 382.873 2.596 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000247710362 553125064 /nfs/dbraw/zinc/12/50/64/553125064.db2.gz ZZCFKLFWUUDKJZ-HZPDHXFCSA-N 1 1 382.873 2.596 20 5 GFBDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421064 564185471 /nfs/dbraw/zinc/18/54/71/564185471.db2.gz KTAQWWGWKPJMJQ-RISCZKNCSA-N 1 1 390.221 2.792 20 5 GFBDMO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000569158414 564451672 /nfs/dbraw/zinc/45/16/72/564451672.db2.gz UQCNDWOTDBVPOZ-SECBINFHSA-N 1 1 384.285 2.909 20 5 GFBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000569158414 564451678 /nfs/dbraw/zinc/45/16/78/564451678.db2.gz UQCNDWOTDBVPOZ-SECBINFHSA-N 1 1 384.285 2.909 20 5 GFBDMO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000297386465 563325726 /nfs/dbraw/zinc/32/57/26/563325726.db2.gz DUBUFESOXILERT-UHFFFAOYSA-N 1 1 383.495 2.628 20 5 GFBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301348562 563400704 /nfs/dbraw/zinc/40/07/04/563400704.db2.gz LQWLYHYJMBOJOM-UHFFFAOYSA-N 1 1 399.289 2.760 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000425461118 563423935 /nfs/dbraw/zinc/42/39/35/563423935.db2.gz UIFXUGFVELVWHZ-UHFFFAOYSA-N 1 1 383.495 2.581 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000425461118 563423937 /nfs/dbraw/zinc/42/39/37/563423937.db2.gz UIFXUGFVELVWHZ-UHFFFAOYSA-N 1 1 383.495 2.581 20 5 GFBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462075 563424030 /nfs/dbraw/zinc/42/40/30/563424030.db2.gz VYMIYRTVPOTUSC-IUODEOHRSA-N 1 1 384.274 2.652 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@@H]21 ZINC000377883007 563490306 /nfs/dbraw/zinc/49/03/06/563490306.db2.gz HUDAGBLBZRQGPS-RNCFNFMXSA-N 1 1 394.280 2.616 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363117027 563714756 /nfs/dbraw/zinc/71/47/56/563714756.db2.gz CQPGIYGLPLSJGX-PEYYIBSZSA-N 1 1 394.269 2.914 20 5 GFBDMO C[C@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440834588 563751077 /nfs/dbraw/zinc/75/10/77/563751077.db2.gz ALMZWDIWHHGEDY-ZDUSSCGKSA-N 1 1 382.269 2.570 20 5 GFBDMO CC[NH+](CC)CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000441811183 563764217 /nfs/dbraw/zinc/76/42/17/563764217.db2.gz MAKVNWBXHGVSFA-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO CN(CCC[NH+]1CCN(C)CC1)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291989145 563768415 /nfs/dbraw/zinc/76/84/15/563768415.db2.gz RUCXEEIGTSQFQQ-UHFFFAOYSA-N 1 1 389.283 2.611 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292741994 563794415 /nfs/dbraw/zinc/79/44/15/563794415.db2.gz HJBYKSZSRKQYEP-INIZCTEOSA-N 1 1 387.889 2.663 20 5 GFBDMO CN1CCC[C@]2(CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1=O ZINC000368923699 563882419 /nfs/dbraw/zinc/88/24/19/563882419.db2.gz BRZYZIYNWIOUIO-MRXNPFEDSA-N 1 1 382.258 2.802 20 5 GFBDMO Cc1cccc(NCCNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[nH+]1 ZINC000470788456 564177862 /nfs/dbraw/zinc/17/78/62/564177862.db2.gz FRYUFJRJQIHRSD-UHFFFAOYSA-N 1 1 384.845 2.650 20 5 GFBDMO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421064 564185468 /nfs/dbraw/zinc/18/54/68/564185468.db2.gz KTAQWWGWKPJMJQ-RISCZKNCSA-N 1 1 390.221 2.792 20 5 GFBDMO [NH3+]C1C[C@H]2CC[C@@H](C1)C2NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000574756152 564688372 /nfs/dbraw/zinc/68/83/72/564688372.db2.gz OHRQFYVHTHYXFB-LVUSLIMOSA-N 1 1 394.280 2.696 20 5 GFBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000492236452 564801020 /nfs/dbraw/zinc/80/10/20/564801020.db2.gz GXWZVXUVYIRFKI-OAHLLOKOSA-N 1 1 399.289 2.712 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(c3ccc(I)cc3[N+](=O)[O-])C2)C1 ZINC000558953037 564918670 /nfs/dbraw/zinc/91/86/70/564918670.db2.gz KLZALAIDLVNDBD-AWEZNQCLSA-N 1 1 387.221 2.731 20 5 GFBDMO Cc1sc(S(=O)(=O)NCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467416866 564962523 /nfs/dbraw/zinc/96/25/23/564962523.db2.gz CNDZIBWYDUGCCQ-UHFFFAOYSA-N 1 1 383.495 2.765 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000467402362 564962786 /nfs/dbraw/zinc/96/27/86/564962786.db2.gz RSCDROYEHVTYNT-OAHLLOKOSA-N 1 1 383.495 2.854 20 5 GFBDMO CC[N@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000589256983 565157019 /nfs/dbraw/zinc/15/70/19/565157019.db2.gz AIIRHTHGTMWQAD-LLVKDONJSA-N 1 1 389.237 2.725 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120918 565450246 /nfs/dbraw/zinc/45/02/46/565450246.db2.gz OTRYGHKFMOOXOK-JTQLQIEISA-N 1 1 394.280 2.855 20 5 GFBDMO Cc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)cc1[N+](=O)[O-] ZINC000826288207 608595801 /nfs/dbraw/zinc/59/58/01/608595801.db2.gz VVMGCHTYTSMQDC-UHFFFAOYSA-N 1 1 397.414 2.545 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)[N@@H+](C)C1CC1 ZINC000830371381 660650745 /nfs/dbraw/zinc/65/07/45/660650745.db2.gz APNMDUDGNNVKOH-QMMMGPOBSA-N 1 1 382.269 2.663 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830529557 660661536 /nfs/dbraw/zinc/66/15/36/660661536.db2.gz LNDMAJDASMBWJR-JTQLQIEISA-N 1 1 396.296 2.864 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000124283429 654773755 /nfs/dbraw/zinc/77/37/55/654773755.db2.gz AAJJBLZEGCXFJA-NEPJUHHUSA-N 1 1 375.878 2.660 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000124378084 654775756 /nfs/dbraw/zinc/77/57/56/654775756.db2.gz HJPTYXHPYFAIOE-CYBMUJFWSA-N 1 1 389.905 2.909 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118994366 655286108 /nfs/dbraw/zinc/28/61/08/655286108.db2.gz PEJYZWKFPLTSQT-CZUORRHYSA-N 1 1 396.285 2.843 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000119055814 655288300 /nfs/dbraw/zinc/28/83/00/655288300.db2.gz YSZUVDLEYGSBEZ-UHFFFAOYSA-N 1 1 386.861 2.772 20 5 GFBDMO C[C@H]1CCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000742424751 655718089 /nfs/dbraw/zinc/71/80/89/655718089.db2.gz DFMZKVOGGMMMJN-JTQLQIEISA-N 1 1 381.376 2.785 20 5 GFBDMO C[C@H]1CCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000742424751 655718090 /nfs/dbraw/zinc/71/80/90/655718090.db2.gz DFMZKVOGGMMMJN-JTQLQIEISA-N 1 1 381.376 2.785 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766207944 656165164 /nfs/dbraw/zinc/16/51/64/656165164.db2.gz SZFUDCCJTFSCIQ-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766207944 656165166 /nfs/dbraw/zinc/16/51/66/656165166.db2.gz SZFUDCCJTFSCIQ-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814369 656252469 /nfs/dbraw/zinc/25/24/69/656252469.db2.gz QVHQBQYUZANUGF-OCCSQVGLSA-N 1 1 381.479 2.770 20 5 GFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814369 656252472 /nfs/dbraw/zinc/25/24/72/656252472.db2.gz QVHQBQYUZANUGF-OCCSQVGLSA-N 1 1 381.479 2.770 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809813539 659941036 /nfs/dbraw/zinc/94/10/36/659941036.db2.gz ZKEWMAFNPWXHFX-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809833103 659947015 /nfs/dbraw/zinc/94/70/15/659947015.db2.gz VNDXMKKOEWCSJP-UHFFFAOYSA-N 1 1 382.269 2.616 20 5 GFBDMO CC[N@H+](C[C@H](C)OC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000812303671 660023298 /nfs/dbraw/zinc/02/32/98/660023298.db2.gz RTRPRQPCANIPDO-JTQLQIEISA-N 1 1 386.246 2.627 20 5 GFBDMO CC[N@@H+](C[C@H](C)OC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000812303671 660023299 /nfs/dbraw/zinc/02/32/99/660023299.db2.gz RTRPRQPCANIPDO-JTQLQIEISA-N 1 1 386.246 2.627 20 5 GFBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000817151592 660183962 /nfs/dbraw/zinc/18/39/62/660183962.db2.gz VDNIIIKVBCVJFZ-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000817151593 660183993 /nfs/dbraw/zinc/18/39/93/660183993.db2.gz VDNIIIKVBCVJFZ-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](CC4(Br)CC4)CC3)nc2c1 ZINC000846861424 661567897 /nfs/dbraw/zinc/56/78/97/661567897.db2.gz UWORUYKUSRSISP-UHFFFAOYSA-N 1 1 394.273 2.911 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855161113 661974306 /nfs/dbraw/zinc/97/43/06/661974306.db2.gz LBWLYULTJHSBQF-SNVBAGLBSA-N 1 1 385.262 2.603 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864883449 662389457 /nfs/dbraw/zinc/38/94/57/662389457.db2.gz AAUGYPNZPGDTCZ-UONOGXRCSA-N 1 1 382.258 2.643 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044056 662458348 /nfs/dbraw/zinc/45/83/48/662458348.db2.gz OOAVYFJQQKAGDT-FZMZJTMJSA-N 1 1 384.274 2.698 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878480100 662897231 /nfs/dbraw/zinc/89/72/31/662897231.db2.gz MDXHPUVDPQRKLW-GFCCVEGCSA-N 1 1 399.289 2.887 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879022970 662913628 /nfs/dbraw/zinc/91/36/28/662913628.db2.gz DPLLBOPGMIFXGJ-ZWNOBZJWSA-N 1 1 383.246 2.915 20 5 GFBDMO Cn1cc[nH+]c1N1CCN(c2cc(F)cc(Br)c2[N+](=O)[O-])CC1 ZINC000881996430 663012785 /nfs/dbraw/zinc/01/27/85/663012785.db2.gz ULGZDXXIFLNMEC-UHFFFAOYSA-N 1 1 384.209 2.557 20 5 GFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928085660 664722341 /nfs/dbraw/zinc/72/23/41/664722341.db2.gz JLYBXCSTGLEUBD-HIFRSBDPSA-N 1 1 387.864 2.626 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928099265 664723051 /nfs/dbraw/zinc/72/30/51/664723051.db2.gz SPEBCKOWFJNJJJ-VBNZEHGJSA-N 1 1 381.523 2.771 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928099265 664723053 /nfs/dbraw/zinc/72/30/53/664723053.db2.gz SPEBCKOWFJNJJJ-VBNZEHGJSA-N 1 1 381.523 2.771 20 5 GFBDMO CON(C)C(=O)C1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000930529679 664772361 /nfs/dbraw/zinc/77/23/61/664772361.db2.gz FRAHEAUDZXSBRF-UHFFFAOYSA-N 1 1 386.246 2.589 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000931706693 664803153 /nfs/dbraw/zinc/80/31/53/664803153.db2.gz JAPMNIUABHAYJP-AWEZNQCLSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1 ZINC000931706693 664803154 /nfs/dbraw/zinc/80/31/54/664803154.db2.gz JAPMNIUABHAYJP-AWEZNQCLSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723099 720357533 /nfs/dbraw/zinc/35/75/33/720357533.db2.gz GWZRBOUQTSQQBF-NWDGAFQWSA-N 1 1 395.250 2.940 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723099 720357538 /nfs/dbraw/zinc/35/75/38/720357538.db2.gz GWZRBOUQTSQQBF-NWDGAFQWSA-N 1 1 395.250 2.940 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164911441 721526662 /nfs/dbraw/zinc/52/66/62/721526662.db2.gz WSFUSIVHBOKUHH-GDBMZVCRSA-N 1 1 376.363 2.610 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908429 721752744 /nfs/dbraw/zinc/75/27/44/721752744.db2.gz IZUSIYJRWXEYLF-UHFFFAOYSA-N 1 1 394.435 2.876 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1 ZINC001164908429 721752748 /nfs/dbraw/zinc/75/27/48/721752748.db2.gz IZUSIYJRWXEYLF-UHFFFAOYSA-N 1 1 394.435 2.876 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001165025518 721815726 /nfs/dbraw/zinc/81/57/26/721815726.db2.gz NDFSJVCPKLZUTH-QILLFSRXSA-N 1 1 382.468 2.704 20 5 GFBDMO CN(C)/C=C/c1cc(N2CC[NH+](CCOc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001165044700 721959648 /nfs/dbraw/zinc/95/96/48/721959648.db2.gz MUIDIHJPSIGLTK-CMDGGOBGSA-N 1 1 397.479 2.723 20 5 GFBDMO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@H+](CC4CC4)C[C@H](C2)O3)nc1-c1ccccc1 ZINC001164968283 722077068 /nfs/dbraw/zinc/07/70/68/722077068.db2.gz ZPYMZCHNYMTCHC-HDICACEKSA-N 1 1 380.448 2.956 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000123293964 551304355 /nfs/dbraw/zinc/30/43/55/551304355.db2.gz VJLHBFBCIFIORZ-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000124316797 551313273 /nfs/dbraw/zinc/31/32/73/551313273.db2.gz XXYHMNCKESPQTE-UHFFFAOYSA-N 1 1 375.256 2.866 20 5 GFBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@H+]1C1CC1 ZINC000127563259 551342023 /nfs/dbraw/zinc/34/20/23/551342023.db2.gz MPFPOYJDHSPWNU-PWSUYJOCSA-N 1 1 382.258 2.641 20 5 GFBDMO C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583049 552088934 /nfs/dbraw/zinc/08/89/34/552088934.db2.gz ATZDGYRAUDXKCX-AAEUAGOBSA-N 1 1 383.246 2.608 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000183728740 552318192 /nfs/dbraw/zinc/31/81/92/552318192.db2.gz NHKJSXZPTAOPMW-VXGBXAGGSA-N 1 1 375.878 2.660 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000246370519 553107274 /nfs/dbraw/zinc/10/72/74/553107274.db2.gz LQABRIXGWWFRLF-UONOGXRCSA-N 1 1 387.527 2.931 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295229169 563236971 /nfs/dbraw/zinc/23/69/71/563236971.db2.gz BJYJLZCGNUSSHM-NSHDSACASA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291599 563240586 /nfs/dbraw/zinc/24/05/86/563240586.db2.gz UEDILRKSBQVPGO-GXSJLCMTSA-N 1 1 396.296 2.862 20 5 GFBDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000374354471 563368893 /nfs/dbraw/zinc/36/88/93/563368893.db2.gz UJNBHQHLNHWQKC-JTQLQIEISA-N 1 1 398.204 2.927 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)cc1[N+](=O)[O-] ZINC000375059515 563389007 /nfs/dbraw/zinc/38/90/07/563389007.db2.gz JTTUSMAALMNYNX-ABAIWWIYSA-N 1 1 382.258 2.832 20 5 GFBDMO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438833739 563711902 /nfs/dbraw/zinc/71/19/02/563711902.db2.gz IRAGXXUNUIHDBI-MRXNPFEDSA-N 1 1 397.273 2.825 20 5 GFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340567 563749884 /nfs/dbraw/zinc/74/98/84/563749884.db2.gz SAKMJKUVYWTHNE-HOCLYGCPSA-N 1 1 395.257 2.924 20 5 GFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340567 563749887 /nfs/dbraw/zinc/74/98/87/563749887.db2.gz SAKMJKUVYWTHNE-HOCLYGCPSA-N 1 1 395.257 2.924 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000543680563 564359170 /nfs/dbraw/zinc/35/91/70/564359170.db2.gz VGHJJIILMQSPHJ-HNNXBMFYSA-N 1 1 383.495 2.854 20 5 GFBDMO CCc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000567769360 564387695 /nfs/dbraw/zinc/38/76/95/564387695.db2.gz ALQQECCEZSCFMM-INIZCTEOSA-N 1 1 383.495 2.800 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000582844288 564864092 /nfs/dbraw/zinc/86/40/92/564864092.db2.gz DTHMSVOIHDCLKP-HNNXBMFYSA-N 1 1 391.225 2.539 20 5 GFBDMO CCC[C@H]1CN(c2ncc(Br)cc2[N+](=O)[O-])CC[N@H+]1CCOC ZINC000499656661 564932984 /nfs/dbraw/zinc/93/29/84/564932984.db2.gz LQAMDTVDBQWCQN-ZDUSSCGKSA-N 1 1 387.278 2.689 20 5 GFBDMO Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467033761 564953741 /nfs/dbraw/zinc/95/37/41/564953741.db2.gz LAQJTDMGRAVKEB-UHFFFAOYSA-N 1 1 396.245 2.563 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000561405442 564994107 /nfs/dbraw/zinc/99/41/07/564994107.db2.gz GWCABSUIQUCFLG-LBPRGKRZSA-N 1 1 387.221 2.526 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(CN[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000561405442 564994110 /nfs/dbraw/zinc/99/41/10/564994110.db2.gz GWCABSUIQUCFLG-LBPRGKRZSA-N 1 1 387.221 2.526 20 5 GFBDMO C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000588987073 565147180 /nfs/dbraw/zinc/14/71/80/565147180.db2.gz XLRCTKPHJPIXAW-UHFFFAOYSA-N 1 1 383.246 2.955 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789714 565421381 /nfs/dbraw/zinc/42/13/81/565421381.db2.gz KHFWXRLZABABMI-NSHDSACASA-N 1 1 375.878 2.647 20 5 GFBDMO COc1cc(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(Br)cn1 ZINC000598601437 565628963 /nfs/dbraw/zinc/62/89/63/565628963.db2.gz LCUWPPXJNSTTSZ-UHFFFAOYSA-N 1 1 379.214 2.714 20 5 GFBDMO COc1cc(C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(Br)cn1 ZINC000598601437 565628968 /nfs/dbraw/zinc/62/89/68/565628968.db2.gz LCUWPPXJNSTTSZ-UHFFFAOYSA-N 1 1 379.214 2.714 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1c(Br)cccc1[N+](=O)[O-])c1ccco1 ZINC000598967326 565651625 /nfs/dbraw/zinc/65/16/25/565651625.db2.gz DZFHJEYNSDPNSV-GFCCVEGCSA-N 1 1 382.214 2.983 20 5 GFBDMO CN1CCN(C(C)(C)C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602509953 565852426 /nfs/dbraw/zinc/85/24/26/565852426.db2.gz IJXDLZHMBYJYLO-UHFFFAOYSA-N 1 1 391.335 2.534 20 5 GFBDMO C[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820726756 599109964 /nfs/dbraw/zinc/10/99/64/599109964.db2.gz BKUHPFZBCWECHN-OAHLLOKOSA-N 1 1 393.451 2.876 20 5 GFBDMO Cc1cccc2c(NCCNc3ccc([N+](=O)[O-])cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407395 599260452 /nfs/dbraw/zinc/26/04/52/599260452.db2.gz APOLKRAAZIVZHV-UHFFFAOYSA-N 1 1 390.407 2.577 20 5 GFBDMO CC1(C)CN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000736214316 598246126 /nfs/dbraw/zinc/24/61/26/598246126.db2.gz QNGOLEFYYZNFMH-UHFFFAOYSA-N 1 1 393.451 2.876 20 5 GFBDMO CC(C)C[N@H+]1CC[C@@H](CNc2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000820092083 606808525 /nfs/dbraw/zinc/80/85/25/606808525.db2.gz HDGBMOUGTLFEIT-ZDUSSCGKSA-N 1 1 396.455 2.713 20 5 GFBDMO O=[N+]([O-])c1ccsc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826500798 608866469 /nfs/dbraw/zinc/86/64/69/608866469.db2.gz MQBXEHYHOVVHBC-UHFFFAOYSA-N 1 1 385.453 2.549 20 5 GFBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000819719457 660267849 /nfs/dbraw/zinc/26/78/49/660267849.db2.gz VERRORAQXXJTRZ-TVQRCGJNSA-N 1 1 386.221 2.663 20 5 GFBDMO C[N@H+]1CC[C@@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000822788218 660354376 /nfs/dbraw/zinc/35/43/76/660354376.db2.gz DAVBHOVROWKVQX-NSHDSACASA-N 1 1 382.258 2.584 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000824655393 660398724 /nfs/dbraw/zinc/39/87/24/660398724.db2.gz WGRUDJDZYUENMK-GUTXKFCHSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)ccc1Br ZINC000824655393 660398727 /nfs/dbraw/zinc/39/87/27/660398727.db2.gz WGRUDJDZYUENMK-GUTXKFCHSA-N 1 1 385.258 2.719 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000827295940 660487931 /nfs/dbraw/zinc/48/79/31/660487931.db2.gz CISRDMPPWPPXRM-BXKDBHETSA-N 1 1 386.221 2.663 20 5 GFBDMO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000123996508 654768130 /nfs/dbraw/zinc/76/81/30/654768130.db2.gz IEASLQQVPULJJK-RYUDHWBXSA-N 1 1 399.289 2.710 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000127948550 654838153 /nfs/dbraw/zinc/83/81/53/654838153.db2.gz URJPFRIVPGRJPZ-ZDUSSCGKSA-N 1 1 382.214 2.983 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000838144526 661030392 /nfs/dbraw/zinc/03/03/92/661030392.db2.gz OYJMNGPLLQCNMN-SNVBAGLBSA-N 1 1 388.237 2.958 20 5 GFBDMO O=c1c(Br)cn(Cc2[nH+]ccn2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000132928257 654949888 /nfs/dbraw/zinc/94/98/88/654949888.db2.gz HWXHBXQLOMTFKP-UHFFFAOYSA-N 1 1 389.209 2.812 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267939693 654953109 /nfs/dbraw/zinc/95/31/09/654953109.db2.gz RJMFWJQWFLAINA-JTQLQIEISA-N 1 1 388.237 2.910 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000271279540 655074358 /nfs/dbraw/zinc/07/43/58/655074358.db2.gz LSXHOILVRDYTCK-ZDUSSCGKSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1Br ZINC000271279540 655074363 /nfs/dbraw/zinc/07/43/63/655074363.db2.gz LSXHOILVRDYTCK-ZDUSSCGKSA-N 1 1 380.246 2.861 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000173986713 655188393 /nfs/dbraw/zinc/18/83/93/655188393.db2.gz ZIXWXJUHHFNHJN-HNNXBMFYSA-N 1 1 396.216 2.855 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000791421715 658095483 /nfs/dbraw/zinc/09/54/83/658095483.db2.gz CJBYARFHGMVGFK-RKDXNWHRSA-N 1 1 394.280 2.805 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000791421715 658095493 /nfs/dbraw/zinc/09/54/93/658095493.db2.gz CJBYARFHGMVGFK-RKDXNWHRSA-N 1 1 394.280 2.805 20 5 GFBDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798164412 659077341 /nfs/dbraw/zinc/07/73/41/659077341.db2.gz KSMUDSFWWBGDEP-LLVKDONJSA-N 1 1 399.289 2.993 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164286 659077515 /nfs/dbraw/zinc/07/75/15/659077515.db2.gz JFDJYLNKDMQHMW-QWRGUYRKSA-N 1 1 385.262 2.603 20 5 GFBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000802137484 659447653 /nfs/dbraw/zinc/44/76/53/659447653.db2.gz SCGLUYVGGFOOSK-LBPRGKRZSA-N 1 1 387.230 2.623 20 5 GFBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000802137484 659447658 /nfs/dbraw/zinc/44/76/58/659447658.db2.gz SCGLUYVGGFOOSK-LBPRGKRZSA-N 1 1 387.230 2.623 20 5 GFBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000810091238 659961147 /nfs/dbraw/zinc/96/11/47/659961147.db2.gz LWYITAIZINPKAI-SECBINFHSA-N 1 1 384.285 2.909 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546267 661295348 /nfs/dbraw/zinc/29/53/48/661295348.db2.gz KAOFEOWLODELLK-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044055 662458268 /nfs/dbraw/zinc/45/82/68/662458268.db2.gz OOAVYFJQQKAGDT-BXUZGUMPSA-N 1 1 384.274 2.698 20 5 GFBDMO Cc1cccc(NCCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)[nH+]1 ZINC000866118453 662461023 /nfs/dbraw/zinc/46/10/23/662461023.db2.gz AKEGMYQJPBEUPC-UHFFFAOYSA-N 1 1 393.241 2.832 20 5 GFBDMO CC[C@@H]1[C@@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000868142177 662596001 /nfs/dbraw/zinc/59/60/01/662596001.db2.gz MCINVKZCLVQQMH-SWLSCSKDSA-N 1 1 396.285 2.972 20 5 GFBDMO C[C@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000868607104 662611783 /nfs/dbraw/zinc/61/17/83/662611783.db2.gz MKAGWQUYLNKHSF-GFCCVEGCSA-N 1 1 396.285 2.843 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000868634080 662612984 /nfs/dbraw/zinc/61/29/84/662612984.db2.gz OOSILSFBIDQUJP-QGZVFWFLSA-N 1 1 396.285 2.844 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879519201 662928299 /nfs/dbraw/zinc/92/82/99/662928299.db2.gz OYJQYEHEZJGISS-HZMBPMFUSA-N 1 1 383.246 2.915 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000881933064 663010263 /nfs/dbraw/zinc/01/02/63/663010263.db2.gz KFPOIHDFBHMHOZ-AAEUAGOBSA-N 1 1 375.878 2.517 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883134191 663050198 /nfs/dbraw/zinc/05/01/98/663050198.db2.gz REYHXHGHQQFXCN-KGLIPLIRSA-N 1 1 397.273 2.783 20 5 GFBDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991681 663536278 /nfs/dbraw/zinc/53/62/78/663536278.db2.gz YRLOKBBKJHYVRE-BDAKNGLRSA-N 1 1 392.214 2.634 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000930086349 664762461 /nfs/dbraw/zinc/76/24/61/664762461.db2.gz KEKYVZZKCJDAHS-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810910 720087084 /nfs/dbraw/zinc/08/70/84/720087084.db2.gz MFRVNEAYWPQANH-IIBYNOLFSA-N 1 1 397.479 2.723 20 5 GFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164712942 720104127 /nfs/dbraw/zinc/10/41/27/720104127.db2.gz YZWRVORRSKGRCC-SFHVURJKSA-N 1 1 397.479 2.892 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723096 720357936 /nfs/dbraw/zinc/35/79/36/720357936.db2.gz GWZRBOUQTSQQBF-NEPJUHHUSA-N 1 1 395.250 2.940 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723096 720357942 /nfs/dbraw/zinc/35/79/42/720357942.db2.gz GWZRBOUQTSQQBF-NEPJUHHUSA-N 1 1 395.250 2.940 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164840343 720695700 /nfs/dbraw/zinc/69/57/00/720695700.db2.gz DDLLWDHUSYNZQZ-QGZVFWFLSA-N 1 1 397.479 2.832 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870902 721047151 /nfs/dbraw/zinc/04/71/51/721047151.db2.gz XJQMUJCVHAOPOA-CVEARBPZSA-N 1 1 389.843 2.518 20 5 GFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867119 721048977 /nfs/dbraw/zinc/04/89/77/721048977.db2.gz HYQGGYWQVFCBDN-LSDHHAIUSA-N 1 1 389.843 2.518 20 5 GFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901319 721520490 /nfs/dbraw/zinc/52/04/90/721520490.db2.gz WOPRPYVDAPMYNN-GDBMZVCRSA-N 1 1 376.363 2.610 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806753 721559645 /nfs/dbraw/zinc/55/96/45/721559645.db2.gz ROTVJYSFHGQMEY-WSTZPKSXSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1 ZINC001164806753 721559650 /nfs/dbraw/zinc/55/96/50/721559650.db2.gz ROTVJYSFHGQMEY-WSTZPKSXSA-N 1 1 397.479 2.870 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@@H]21 ZINC001165024762 721816277 /nfs/dbraw/zinc/81/62/77/721816277.db2.gz KOUXLXASQGYPPN-BHYGNILZSA-N 1 1 382.468 2.704 20 5 GFBDMO Cn1cc[nH+]c1CC1CCN(c2c(Br)cncc2[N+](=O)[O-])CC1 ZINC000161275777 551592291 /nfs/dbraw/zinc/59/22/91/551592291.db2.gz QWVWDIGXTWLVLO-UHFFFAOYSA-N 1 1 380.246 2.945 20 5 GFBDMO Cc1cc[nH+]c(N2CCN(c3c(Br)cncc3[N+](=O)[O-])CC2)c1 ZINC000161906517 551600698 /nfs/dbraw/zinc/60/06/98/551600698.db2.gz LNJAJEQJRUACBJ-UHFFFAOYSA-N 1 1 378.230 2.782 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000175063321 552114581 /nfs/dbraw/zinc/11/45/81/552114581.db2.gz JKCZAAHIMDNNPJ-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000179591305 552197264 /nfs/dbraw/zinc/19/72/64/552197264.db2.gz LQOHFCSZWBAMSB-LBPRGKRZSA-N 1 1 383.495 2.992 20 5 GFBDMO C[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000179591305 552197265 /nfs/dbraw/zinc/19/72/65/552197265.db2.gz LQOHFCSZWBAMSB-LBPRGKRZSA-N 1 1 383.495 2.992 20 5 GFBDMO CC(C)C[C@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185312922 552360841 /nfs/dbraw/zinc/36/08/41/552360841.db2.gz XDUNXHIFKDEBNJ-GFCCVEGCSA-N 1 1 388.262 2.635 20 5 GFBDMO O=[N+]([O-])c1cncc(I)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000418845443 563227106 /nfs/dbraw/zinc/22/71/06/563227106.db2.gz MGTWDPDZAGNOFN-UHFFFAOYSA-N 1 1 399.192 2.702 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000375059517 563388464 /nfs/dbraw/zinc/38/84/64/563388464.db2.gz JTTUSMAALMNYNX-IAQYHMDHSA-N 1 1 382.258 2.832 20 5 GFBDMO C[N@H+]1CCC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301207028 563396457 /nfs/dbraw/zinc/39/64/57/563396457.db2.gz PRMOQWFYMVDCCN-JTQLQIEISA-N 1 1 381.376 2.642 20 5 GFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330959062 563529179 /nfs/dbraw/zinc/52/91/79/563529179.db2.gz AVZDDWXEXRPMHE-HNNXBMFYSA-N 1 1 399.289 2.568 20 5 GFBDMO Cc1c(Br)c(N2CCC[C@@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000409550804 563564974 /nfs/dbraw/zinc/56/49/74/563564974.db2.gz BTUCQHMVEMKJGH-ZDUSSCGKSA-N 1 1 399.289 2.609 20 5 GFBDMO CCn1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cn1 ZINC000289599987 563680064 /nfs/dbraw/zinc/68/00/64/563680064.db2.gz UVXGGLOZZRTXGC-UHFFFAOYSA-N 1 1 386.193 2.706 20 5 GFBDMO C[NH+](C)CCN(Cc1ccsc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000413458181 563693201 /nfs/dbraw/zinc/69/32/01/563693201.db2.gz RAYXTQUCLDXGFQ-UHFFFAOYSA-N 1 1 383.495 2.628 20 5 GFBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000362704711 563708381 /nfs/dbraw/zinc/70/83/81/563708381.db2.gz JRGBGNRZNGVWHZ-AWEZNQCLSA-N 1 1 381.523 2.970 20 5 GFBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363595307 563727838 /nfs/dbraw/zinc/72/78/38/563727838.db2.gz NKBIPKDVRRLWDF-HIFRSBDPSA-N 1 1 381.523 2.725 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364079407 563742245 /nfs/dbraw/zinc/74/22/45/563742245.db2.gz UISWGVCBSDULIX-OLZOCXBDSA-N 1 1 382.258 2.643 20 5 GFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365790756 563793477 /nfs/dbraw/zinc/79/34/77/563793477.db2.gz UVKFKLDIXZCUBF-LBPRGKRZSA-N 1 1 387.864 2.580 20 5 GFBDMO C[C@@H]1c2cccc(Br)c2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465780 564300202 /nfs/dbraw/zinc/30/02/02/564300202.db2.gz TZVBJDZLNBTHKD-DGCLKSJQSA-N 1 1 395.257 2.534 20 5 GFBDMO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465780 564300205 /nfs/dbraw/zinc/30/02/05/564300205.db2.gz TZVBJDZLNBTHKD-DGCLKSJQSA-N 1 1 395.257 2.534 20 5 GFBDMO C[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1=CC[N@@H+](C)CC1 ZINC000510742411 564345655 /nfs/dbraw/zinc/34/56/55/564345655.db2.gz BHTBCBXCHFOTDA-NSHDSACASA-N 1 1 382.258 2.666 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000520740215 564611993 /nfs/dbraw/zinc/61/19/93/564611993.db2.gz DUXCVKDHACVLCQ-GFCCVEGCSA-N 1 1 387.889 2.852 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462139873 564823246 /nfs/dbraw/zinc/82/32/46/564823246.db2.gz OULZYNCIRCRTAM-SNVBAGLBSA-N 1 1 396.296 2.864 20 5 GFBDMO C[C@@H]1CC[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462150552 564824075 /nfs/dbraw/zinc/82/40/75/564824075.db2.gz MMQZSJIVYQTLAE-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO C[C@@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462150552 564824077 /nfs/dbraw/zinc/82/40/77/564824077.db2.gz MMQZSJIVYQTLAE-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000462543851 564846212 /nfs/dbraw/zinc/84/62/12/564846212.db2.gz BHENFLFPPUCXAX-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO Cc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059671 565186920 /nfs/dbraw/zinc/18/69/20/565186920.db2.gz PTVXUPQYQVXPFT-AWEZNQCLSA-N 1 1 397.317 2.882 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000599392106 565676137 /nfs/dbraw/zinc/67/61/37/565676137.db2.gz RCFCMVYYHMCVIK-CYBMUJFWSA-N 1 1 387.889 2.934 20 5 GFBDMO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000820705977 599473630 /nfs/dbraw/zinc/47/36/30/599473630.db2.gz XFXDFRCGGDYSDH-CHWSQXEVSA-N 1 1 396.455 2.998 20 5 GFBDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826182531 607642639 /nfs/dbraw/zinc/64/26/39/607642639.db2.gz MQJHAOZTHBHFAI-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000826182531 607642641 /nfs/dbraw/zinc/64/26/41/607642641.db2.gz MQJHAOZTHBHFAI-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000830021803 660630851 /nfs/dbraw/zinc/63/08/51/660630851.db2.gz JEZOMSOFLUJPIN-HOCLYGCPSA-N 1 1 383.901 2.877 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838905192 661062985 /nfs/dbraw/zinc/06/29/85/661062985.db2.gz QBTIOQSRSBRKDK-BJHJDKERSA-N 1 1 399.241 2.686 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N(CC[NH+]2CCCC2)c2ccccc2)cs1 ZINC000119831695 655317475 /nfs/dbraw/zinc/31/74/75/655317475.db2.gz OOSSMWZZRKKCKI-UHFFFAOYSA-N 1 1 381.479 2.947 20 5 GFBDMO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(S(C)(=O)=O)CC1 ZINC000512903874 655418216 /nfs/dbraw/zinc/41/82/16/655418216.db2.gz IRRPRPXHCUXFDI-NSHDSACASA-N 1 1 381.479 2.774 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@@H](C)C1 ZINC000246224609 655429519 /nfs/dbraw/zinc/42/95/19/655429519.db2.gz HDRVBFUKZFIOTJ-JSGCOSHPSA-N 1 1 389.905 2.907 20 5 GFBDMO CC(C)[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000732034528 655590968 /nfs/dbraw/zinc/59/09/68/655590968.db2.gz HQWPMPKQPXNYAY-UHFFFAOYSA-N 1 1 377.413 2.512 20 5 GFBDMO CC(C)[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000732034528 655590971 /nfs/dbraw/zinc/59/09/71/655590971.db2.gz HQWPMPKQPXNYAY-UHFFFAOYSA-N 1 1 377.413 2.512 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226740 659085800 /nfs/dbraw/zinc/08/58/00/659085800.db2.gz DROOSTNZODNJRJ-QWRGUYRKSA-N 1 1 393.868 2.786 20 5 GFBDMO CC(C)C[N@H+]1CCO[C@H](CNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813379784 660052588 /nfs/dbraw/zinc/05/25/88/660052588.db2.gz HLQRWWGTMCHMSL-GFCCVEGCSA-N 1 1 390.267 2.988 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849419508 661720557 /nfs/dbraw/zinc/72/05/57/661720557.db2.gz OCNKOIAOGBAVRZ-VIFPVBQESA-N 1 1 379.841 2.538 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849419505 661720642 /nfs/dbraw/zinc/72/06/42/661720642.db2.gz OCNKOIAOGBAVRZ-SECBINFHSA-N 1 1 379.841 2.538 20 5 GFBDMO CO[C@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351707 662241795 /nfs/dbraw/zinc/24/17/95/662241795.db2.gz VINUWQGXVGEKCL-HIFRSBDPSA-N 1 1 387.230 2.623 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219745 663595028 /nfs/dbraw/zinc/59/50/28/663595028.db2.gz NOHJSBVHOURSGW-QWHCGFSZSA-N 1 1 388.237 2.532 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(Cn2cc(C[NH+]3CCCCC3)nn2)c1 ZINC000900596041 663717722 /nfs/dbraw/zinc/71/77/22/663717722.db2.gz ZHGVAAOUKJCJDD-UHFFFAOYSA-N 1 1 380.246 2.983 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809062 720106676 /nfs/dbraw/zinc/10/66/76/720106676.db2.gz GNVVAOJTOOKDDH-IERDGZPVSA-N 1 1 397.479 2.723 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164767250 721105684 /nfs/dbraw/zinc/10/56/84/721105684.db2.gz LZZFVVAORYWLOU-HUUCEWRRSA-N 1 1 390.875 2.643 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000045810018 551148342 /nfs/dbraw/zinc/14/83/42/551148342.db2.gz RYORRWDZWOLNMN-HNNXBMFYSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1c(Br)cc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000122486242 551298675 /nfs/dbraw/zinc/29/86/75/551298675.db2.gz BDEJSTOEHSMEDQ-CYBMUJFWSA-N 1 1 382.258 2.880 20 5 GFBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@H+]1C1CC1 ZINC000127563480 551342119 /nfs/dbraw/zinc/34/21/19/551342119.db2.gz MPFPOYJDHSPWNU-JQWIXIFHSA-N 1 1 382.258 2.641 20 5 GFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](CO)C(C)(C)C ZINC000134410373 551385189 /nfs/dbraw/zinc/38/51/89/551385189.db2.gz SYNVVFZDMHUIGS-ZDUSSCGKSA-N 1 1 388.262 2.635 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000151094525 551407042 /nfs/dbraw/zinc/40/70/42/551407042.db2.gz BBAMFSSGOJQAGD-AWEZNQCLSA-N 1 1 396.241 2.912 20 5 GFBDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151585213 551417135 /nfs/dbraw/zinc/41/71/35/551417135.db2.gz ZQKPZDUBTLMQOI-OAHLLOKOSA-N 1 1 398.257 2.568 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152915146 551442695 /nfs/dbraw/zinc/44/26/95/551442695.db2.gz NRCFFCGFTYQHQG-DOMZBBRYSA-N 1 1 387.889 2.661 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155914585 551510861 /nfs/dbraw/zinc/51/08/61/551510861.db2.gz PUUPAJKRMHBPCW-BBRMVZONSA-N 1 1 396.285 2.843 20 5 GFBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163313509 551618460 /nfs/dbraw/zinc/61/84/60/551618460.db2.gz VAVNLGBMAOXPCF-SNVBAGLBSA-N 1 1 383.392 2.622 20 5 GFBDMO COc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000171676057 551660836 /nfs/dbraw/zinc/66/08/36/551660836.db2.gz IXWZZBYNVUDSKW-UHFFFAOYSA-N 1 1 384.841 2.820 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000173476059 552086136 /nfs/dbraw/zinc/08/61/36/552086136.db2.gz YMNCMCFXMZWAJZ-MRXNPFEDSA-N 1 1 395.257 2.579 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173948328 552095905 /nfs/dbraw/zinc/09/59/05/552095905.db2.gz MNDXCXLMMPGQIE-LBPRGKRZSA-N 1 1 375.878 2.601 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000180186703 552216915 /nfs/dbraw/zinc/21/69/15/552216915.db2.gz QTCIUVWGMSRFBF-UHFFFAOYSA-N 1 1 386.861 2.772 20 5 GFBDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182002378 552272554 /nfs/dbraw/zinc/27/25/54/552272554.db2.gz ZTHFROSXFZHSSO-CQSZACIVSA-N 1 1 398.257 2.568 20 5 GFBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000237000988 553073449 /nfs/dbraw/zinc/07/34/49/553073449.db2.gz NGVSOBXZPURVIS-UHFFFAOYSA-N 1 1 383.495 2.977 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245533614 553092053 /nfs/dbraw/zinc/09/20/53/553092053.db2.gz YJERMXOWQFFURN-ZWNOBZJWSA-N 1 1 382.258 2.974 20 5 GFBDMO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301236117 563397364 /nfs/dbraw/zinc/39/73/64/563397364.db2.gz KKDYOGFRBYPLLL-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@H]2C1 ZINC000375537944 563408790 /nfs/dbraw/zinc/40/87/90/563408790.db2.gz VOAVQEXADLUERR-HZMBPMFUSA-N 1 1 383.246 2.915 20 5 GFBDMO C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462076 563423695 /nfs/dbraw/zinc/42/36/95/563423695.db2.gz VYMIYRTVPOTUSC-SWLSCSKDSA-N 1 1 384.274 2.652 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000376116297 563430001 /nfs/dbraw/zinc/43/00/01/563430001.db2.gz QCUXICRNSNCEGC-UWVGGRQHSA-N 1 1 388.287 2.975 20 5 GFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCCC[C@H]1O ZINC000426241128 563447117 /nfs/dbraw/zinc/44/71/17/563447117.db2.gz SSAUYGVUCFOGMV-ZIAGYGMSSA-N 1 1 386.246 2.531 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289025068 563664999 /nfs/dbraw/zinc/66/49/99/563664999.db2.gz CUXMWKWBPQAZAB-SNVBAGLBSA-N 1 1 396.296 2.864 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000360977614 563696353 /nfs/dbraw/zinc/69/63/53/563696353.db2.gz UNDOBEREXQLCDP-UHFFFAOYSA-N 1 1 381.479 2.599 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077895 563735359 /nfs/dbraw/zinc/73/53/59/563735359.db2.gz KTXFBOJUNPAUMT-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000291873087 563762783 /nfs/dbraw/zinc/76/27/83/563762783.db2.gz HPJPCBCZFAGAIO-SNVBAGLBSA-N 1 1 376.240 2.600 20 5 GFBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000443990685 563817549 /nfs/dbraw/zinc/81/75/49/563817549.db2.gz OMPPNKOUZFQUGE-UHFFFAOYSA-N 1 1 375.878 2.649 20 5 GFBDMO CC[C@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451729156 564344960 /nfs/dbraw/zinc/34/49/60/564344960.db2.gz JLEUADFFRJPHJD-LBPRGKRZSA-N 1 1 399.289 2.712 20 5 GFBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554914319 564777696 /nfs/dbraw/zinc/77/76/96/564777696.db2.gz OUUQLRUDKUUJNE-MRXNPFEDSA-N 1 1 383.857 2.829 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000462543852 564846342 /nfs/dbraw/zinc/84/63/42/564846342.db2.gz BHENFLFPPUCXAX-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463034842 564868168 /nfs/dbraw/zinc/86/81/68/564868168.db2.gz NPUJRIUPDCTWLH-GFCCVEGCSA-N 1 1 376.194 2.810 20 5 GFBDMO CN(C)c1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000500442731 564953667 /nfs/dbraw/zinc/95/36/67/564953667.db2.gz SKVQVJXRVJMQEP-UHFFFAOYSA-N 1 1 379.214 3.000 20 5 GFBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cnc2N)cc1Br ZINC000469491933 565018527 /nfs/dbraw/zinc/01/85/27/565018527.db2.gz MGWSUELTGLCRSM-UHFFFAOYSA-N 1 1 394.229 2.648 20 5 GFBDMO CC(C)[N@H+]1CCC[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000470678270 565053175 /nfs/dbraw/zinc/05/31/75/565053175.db2.gz NGPXSVATFXUFDI-ZDUSSCGKSA-N 1 1 384.274 2.889 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000619578941 565350013 /nfs/dbraw/zinc/35/00/13/565350013.db2.gz VLJLMRWNOBFOSW-ZDUSSCGKSA-N 1 1 384.274 2.843 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597857357 565578097 /nfs/dbraw/zinc/57/80/97/565578097.db2.gz FFYKHDXLRAXGHL-CYBMUJFWSA-N 1 1 384.274 2.889 20 5 GFBDMO O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493005 565852627 /nfs/dbraw/zinc/85/26/27/565852627.db2.gz GOGKOTVRORWJTD-SKDRFNHKSA-N 1 1 388.287 2.909 20 5 GFBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493005 565852632 /nfs/dbraw/zinc/85/26/32/565852632.db2.gz GOGKOTVRORWJTD-SKDRFNHKSA-N 1 1 388.287 2.909 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000603975471 565920272 /nfs/dbraw/zinc/92/02/72/565920272.db2.gz CHRZBWHUKZILKM-NWDGAFQWSA-N 1 1 375.878 2.789 20 5 GFBDMO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000737411063 598368337 /nfs/dbraw/zinc/36/83/37/598368337.db2.gz IYFXAMVEYIXIQM-UHFFFAOYSA-N 1 1 393.451 2.796 20 5 GFBDMO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261387 607552538 /nfs/dbraw/zinc/55/25/38/607552538.db2.gz JFIGLFGCZLPBLX-LJQANCHMSA-N 1 1 396.451 2.967 20 5 GFBDMO CC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399410 607553357 /nfs/dbraw/zinc/55/33/57/607553357.db2.gz SEJBIGLKGFXUKC-ACJLOTCBSA-N 1 1 382.424 2.891 20 5 GFBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830397823 660652240 /nfs/dbraw/zinc/65/22/40/660652240.db2.gz WYKCUECYIKFYRT-VIFPVBQESA-N 1 1 384.285 2.910 20 5 GFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000830838661 660682682 /nfs/dbraw/zinc/68/26/82/660682682.db2.gz ZXYOZPFOCDZUNM-LBPRGKRZSA-N 1 1 385.262 2.603 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000052782022 654739228 /nfs/dbraw/zinc/73/92/28/654739228.db2.gz FWCGAXNCPSJHLI-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO O=C(OCC[NH+]1CCSCC1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000127355304 654827538 /nfs/dbraw/zinc/82/75/38/654827538.db2.gz LQUKPWIVULSLGY-UHFFFAOYSA-N 1 1 379.463 2.924 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129077537 654855806 /nfs/dbraw/zinc/85/58/06/654855806.db2.gz MCCPMQUZFCFCMM-OCCSQVGLSA-N 1 1 387.889 2.661 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccco1 ZINC000064129013 654862895 /nfs/dbraw/zinc/86/28/95/654862895.db2.gz CXBVHCIBRBCPLQ-CYBMUJFWSA-N 1 1 382.214 2.983 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066001516 654892437 /nfs/dbraw/zinc/89/24/37/654892437.db2.gz PMQUBLLJBHNAQY-TXEJJXNPSA-N 1 1 375.516 2.691 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000269317789 655005658 /nfs/dbraw/zinc/00/56/58/655005658.db2.gz XZUIXAIUTJADFW-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000272571731 655116366 /nfs/dbraw/zinc/11/63/66/655116366.db2.gz FTNBBBMRBDPUHU-RNCFNFMXSA-N 1 1 386.221 2.663 20 5 GFBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601215 661094888 /nfs/dbraw/zinc/09/48/88/661094888.db2.gz PLHQLHUUJVPFCY-GXTWGEPZSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601215 661094889 /nfs/dbraw/zinc/09/48/89/661094889.db2.gz PLHQLHUUJVPFCY-GXTWGEPZSA-N 1 1 384.274 2.652 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1Br ZINC000839609451 661095602 /nfs/dbraw/zinc/09/56/02/661095602.db2.gz AWSLDVSTZUKZNU-UMVBOHGHSA-N 1 1 385.258 2.719 20 5 GFBDMO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754637772 655870654 /nfs/dbraw/zinc/87/06/54/655870654.db2.gz XXLZJYGITZEAMJ-LLVKDONJSA-N 1 1 386.221 2.711 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768810192 656252230 /nfs/dbraw/zinc/25/22/30/656252230.db2.gz DRCYSQKDUQJNGL-TXEJJXNPSA-N 1 1 375.516 2.691 20 5 GFBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809824361 659944027 /nfs/dbraw/zinc/94/40/27/659944027.db2.gz OZLQIODVPBBXQP-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000851820482 661834797 /nfs/dbraw/zinc/83/47/97/661834797.db2.gz ALKWIXQFWHBTIN-SECBINFHSA-N 1 1 382.269 2.664 20 5 GFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000862629436 662294883 /nfs/dbraw/zinc/29/48/83/662294883.db2.gz POVJOCFPKZCHJC-LBPRGKRZSA-N 1 1 397.273 2.889 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867961346 662589559 /nfs/dbraw/zinc/58/95/59/662589559.db2.gz VUZXNCMYYUJHHD-ZDUSSCGKSA-N 1 1 384.274 2.843 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868810484 662620474 /nfs/dbraw/zinc/62/04/74/662620474.db2.gz RNWHTNKGEVXPSF-CYBMUJFWSA-N 1 1 384.274 2.841 20 5 GFBDMO C[C@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000883456801 663055394 /nfs/dbraw/zinc/05/53/94/663055394.db2.gz JPKJFOLSMUBOHG-GWCFXTLKSA-N 1 1 385.262 2.639 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000919842711 664518575 /nfs/dbraw/zinc/51/85/75/664518575.db2.gz VFXISEINIPAWGO-VHSXEESVSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000919842711 664518576 /nfs/dbraw/zinc/51/85/76/664518576.db2.gz VFXISEINIPAWGO-VHSXEESVSA-N 1 1 394.280 2.759 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000925761625 664674376 /nfs/dbraw/zinc/67/43/76/664674376.db2.gz DADHVIWSOURQQK-RRFJBIMHSA-N 1 1 384.274 2.604 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806795 720071962 /nfs/dbraw/zinc/07/19/62/720071962.db2.gz DGWSPQAFRGJOKD-RDTXWAMCSA-N 1 1 380.876 2.828 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844925 720685827 /nfs/dbraw/zinc/68/58/27/720685827.db2.gz WJOSTGJKNGFAHC-SFHVURJKSA-N 1 1 397.479 2.953 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164786767 721404077 /nfs/dbraw/zinc/40/40/77/721404077.db2.gz PCUQAWGYWKBMMG-TXEJJXNPSA-N 1 1 379.873 2.976 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164786767 721404079 /nfs/dbraw/zinc/40/40/79/721404079.db2.gz PCUQAWGYWKBMMG-TXEJJXNPSA-N 1 1 379.873 2.976 20 5 GFBDMO CC(C)Oc1nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164788838 721430183 /nfs/dbraw/zinc/43/01/83/721430183.db2.gz TUDREFSXTWVHSN-ZIAGYGMSSA-N 1 1 389.481 2.802 20 5 GFBDMO CN(C)/C=C\c1cc(N2CC[NH+](CCOc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC001165044703 721959705 /nfs/dbraw/zinc/95/97/05/721959705.db2.gz MUIDIHJPSIGLTK-HJWRWDBZSA-N 1 1 397.479 2.723 20 5 GFBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359893831 209199010 /nfs/dbraw/zinc/19/90/10/209199010.db2.gz DENOQTKIICTSHU-OXJNMPFZSA-N 1 1 398.463 2.660 20 5 GFBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359893831 209199014 /nfs/dbraw/zinc/19/90/14/209199014.db2.gz DENOQTKIICTSHU-OXJNMPFZSA-N 1 1 398.463 2.660 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173246082 552080570 /nfs/dbraw/zinc/08/05/70/552080570.db2.gz HPBPPBHJEXYSIB-HZMBPMFUSA-N 1 1 375.878 2.517 20 5 GFBDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000173849430 552094123 /nfs/dbraw/zinc/09/41/23/552094123.db2.gz IIZLNIZPQYSTLN-QWHCGFSZSA-N 1 1 387.889 2.884 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000174026506 552097073 /nfs/dbraw/zinc/09/70/73/552097073.db2.gz ZIRIEHYOVYZQCG-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000248626521 553131900 /nfs/dbraw/zinc/13/19/00/553131900.db2.gz YZSXWJWDMCCCFF-CHWSQXEVSA-N 1 1 387.889 2.661 20 5 GFBDMO CCC[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301269412 563398691 /nfs/dbraw/zinc/39/86/91/563398691.db2.gz JEDGYXHBRYJYKW-UHFFFAOYSA-N 1 1 377.413 2.513 20 5 GFBDMO CCC[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301269412 563398693 /nfs/dbraw/zinc/39/86/93/563398693.db2.gz JEDGYXHBRYJYKW-UHFFFAOYSA-N 1 1 377.413 2.513 20 5 GFBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425031 563421733 /nfs/dbraw/zinc/42/17/33/563421733.db2.gz SXASKZZZZUXVHW-GXTWGEPZSA-N 1 1 382.258 2.848 20 5 GFBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425475358 563423854 /nfs/dbraw/zinc/42/38/54/563423854.db2.gz KVXBLYHOXJIXHT-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425475358 563423859 /nfs/dbraw/zinc/42/38/59/563423859.db2.gz KVXBLYHOXJIXHT-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO C[N@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425475358 563423862 /nfs/dbraw/zinc/42/38/62/563423862.db2.gz KVXBLYHOXJIXHT-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425475358 563423863 /nfs/dbraw/zinc/42/38/63/563423863.db2.gz KVXBLYHOXJIXHT-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000290858188 563723964 /nfs/dbraw/zinc/72/39/64/563723964.db2.gz XCYBXFSPGBMUKF-ZWNOBZJWSA-N 1 1 393.868 2.738 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000363595309 563727521 /nfs/dbraw/zinc/72/75/21/563727521.db2.gz NKBIPKDVRRLWDF-ZFWWWQNUSA-N 1 1 381.523 2.725 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085114 563736215 /nfs/dbraw/zinc/73/62/15/563736215.db2.gz ZIGZBAQYCZGUOA-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366536514 563812681 /nfs/dbraw/zinc/81/26/81/563812681.db2.gz RUVKOGLAUHJVSO-INIZCTEOSA-N 1 1 382.258 2.834 20 5 GFBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543122 563848016 /nfs/dbraw/zinc/84/80/16/563848016.db2.gz XWPVFFUTEDHDLG-TZMCWYRMSA-N 1 1 382.258 2.848 20 5 GFBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CCNC1=O ZINC000538798134 564201580 /nfs/dbraw/zinc/20/15/80/564201580.db2.gz OZBMBYXRIJXPDI-AWEZNQCLSA-N 1 1 394.225 2.938 20 5 GFBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@H]1CCNC1=O ZINC000538798134 564201583 /nfs/dbraw/zinc/20/15/83/564201583.db2.gz OZBMBYXRIJXPDI-AWEZNQCLSA-N 1 1 394.225 2.938 20 5 GFBDMO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC(C)(C)O ZINC000474179680 564268844 /nfs/dbraw/zinc/26/88/44/564268844.db2.gz XBEMXBOURKBQKR-UHFFFAOYSA-N 1 1 388.262 2.779 20 5 GFBDMO CC[C@@H]1C[N@@H+](CC)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000451729155 564344975 /nfs/dbraw/zinc/34/49/75/564344975.db2.gz JLEUADFFRJPHJD-GFCCVEGCSA-N 1 1 399.289 2.712 20 5 GFBDMO Cc1cccc2[nH+]c(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cn21 ZINC000544079090 564373330 /nfs/dbraw/zinc/37/33/30/564373330.db2.gz MMMOGTCVQGWUFV-UHFFFAOYSA-N 1 1 377.198 2.832 20 5 GFBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000519031906 564568641 /nfs/dbraw/zinc/56/86/41/564568641.db2.gz OKFPUOAGNKBHJY-UHFFFAOYSA-N 1 1 389.905 2.989 20 5 GFBDMO C[N@@H+](CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000457170506 564650775 /nfs/dbraw/zinc/65/07/75/564650775.db2.gz QWRQJDDTTSNPOU-UHFFFAOYSA-N 1 1 384.274 2.890 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NCCCCN1CC[NH+](CCO)CC1 ZINC000557605089 564869541 /nfs/dbraw/zinc/86/95/41/564869541.db2.gz ZNAPXCKPUUGZSA-UHFFFAOYSA-N 1 1 391.299 2.704 20 5 GFBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000463237227 564873744 /nfs/dbraw/zinc/87/37/44/564873744.db2.gz UOKQZGCFPFCCJW-LBPRGKRZSA-N 1 1 386.246 2.795 20 5 GFBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCOC1 ZINC000463237227 564873748 /nfs/dbraw/zinc/87/37/48/564873748.db2.gz UOKQZGCFPFCCJW-LBPRGKRZSA-N 1 1 386.246 2.795 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000561397954 564994078 /nfs/dbraw/zinc/99/40/78/564994078.db2.gz JWOFFNVOBJAAIC-OAHLLOKOSA-N 1 1 382.825 2.745 20 5 GFBDMO Cc1c(Br)c(N2CCC([N@H+]3CCCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000596268468 565518140 /nfs/dbraw/zinc/51/81/40/565518140.db2.gz LEAUMMUHGAZADR-UHFFFAOYSA-N 1 1 399.289 2.752 20 5 GFBDMO CCO[C@H](CC[NH+](C)C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602586346 565856450 /nfs/dbraw/zinc/85/64/50/565856450.db2.gz ACWYEQCUMYOQIN-SNVBAGLBSA-N 1 1 380.308 2.865 20 5 GFBDMO CSCC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N(C)C ZINC000602665202 565861340 /nfs/dbraw/zinc/86/13/40/565861340.db2.gz UCVVEDPLWGFTFL-JTQLQIEISA-N 1 1 396.332 2.718 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000610268107 566073706 /nfs/dbraw/zinc/07/37/06/566073706.db2.gz ZJTVGUDDJDUFJR-CQSZACIVSA-N 1 1 381.479 2.551 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269409 598869994 /nfs/dbraw/zinc/86/99/94/598869994.db2.gz WRWOJEHSVQHBCN-CABCVRRESA-N 1 1 385.472 2.866 20 5 GFBDMO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665793 606199509 /nfs/dbraw/zinc/19/95/09/606199509.db2.gz GTDHLXBJDKUVIQ-UKRRQHHQSA-N 1 1 394.439 2.635 20 5 GFBDMO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665791 606199821 /nfs/dbraw/zinc/19/98/21/606199821.db2.gz GTDHLXBJDKUVIQ-DZGCQCFKSA-N 1 1 394.439 2.635 20 5 GFBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000825976181 609314721 /nfs/dbraw/zinc/31/47/21/609314721.db2.gz GCFKDXCRKZVSTL-UHFFFAOYSA-N 1 1 390.407 2.728 20 5 GFBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000825976181 609314723 /nfs/dbraw/zinc/31/47/23/609314723.db2.gz GCFKDXCRKZVSTL-UHFFFAOYSA-N 1 1 390.407 2.728 20 5 GFBDMO CN(C)c1[nH+]cc(CN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1C ZINC000822481782 660346434 /nfs/dbraw/zinc/34/64/34/660346434.db2.gz UTJDSDKPOPHPOB-UHFFFAOYSA-N 1 1 394.273 2.715 20 5 GFBDMO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030217619 654583907 /nfs/dbraw/zinc/58/39/07/654583907.db2.gz TZINVXDRMXDBMP-GFCCVEGCSA-N 1 1 385.214 2.822 20 5 GFBDMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030217619 654583911 /nfs/dbraw/zinc/58/39/11/654583911.db2.gz TZINVXDRMXDBMP-GFCCVEGCSA-N 1 1 385.214 2.822 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000123996407 654768289 /nfs/dbraw/zinc/76/82/89/654768289.db2.gz IEASLQQVPULJJK-NEPJUHHUSA-N 1 1 399.289 2.710 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c1Br ZINC000839609446 661095579 /nfs/dbraw/zinc/09/55/79/661095579.db2.gz AWSLDVSTZUKZNU-GZBFAFLISA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1Br ZINC000839564331 661092240 /nfs/dbraw/zinc/09/22/40/661092240.db2.gz PALOLRWKZQBCAM-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+]1CC(C)(C)O ZINC000839573880 661092981 /nfs/dbraw/zinc/09/29/81/661092981.db2.gz HLXAGEJFFZABID-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO COc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000276965939 655295454 /nfs/dbraw/zinc/29/54/54/655295454.db2.gz DSPUCRSTYMCKSF-UHFFFAOYSA-N 1 1 384.841 2.950 20 5 GFBDMO C[C@@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000727826921 655549699 /nfs/dbraw/zinc/54/96/99/655549699.db2.gz KLPOIFIMZYZWKJ-VIFPVBQESA-N 1 1 381.376 2.783 20 5 GFBDMO C[N@H+]1CCC[C@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000749568749 655805835 /nfs/dbraw/zinc/80/58/35/655805835.db2.gz SKYOTBRICBTTOQ-VIFPVBQESA-N 1 1 376.638 2.835 20 5 GFBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000802141384 659449130 /nfs/dbraw/zinc/44/91/30/659449130.db2.gz HJHRRYVYYJEROL-CQSZACIVSA-N 1 1 387.230 2.623 20 5 GFBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000802141384 659449144 /nfs/dbraw/zinc/44/91/44/659449144.db2.gz HJHRRYVYYJEROL-CQSZACIVSA-N 1 1 387.230 2.623 20 5 GFBDMO Cc1ccc(NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c([N+](=O)[O-])c1Br ZINC000804413791 659644396 /nfs/dbraw/zinc/64/43/96/659644396.db2.gz BOIOOKFNLHVCAL-LBPRGKRZSA-N 1 1 399.289 2.665 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000813752671 660062994 /nfs/dbraw/zinc/06/29/94/660062994.db2.gz WSUKIKIUJHZCQV-LBPRGKRZSA-N 1 1 387.889 2.743 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)c1 ZINC000842705898 661350379 /nfs/dbraw/zinc/35/03/79/661350379.db2.gz YSPLOWMRROHSKG-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO CC[NH2+]Cc1noc(-c2cc([N+](=O)[O-])cc(I)c2C)n1 ZINC000843144461 661370685 /nfs/dbraw/zinc/37/06/85/661370685.db2.gz YVDVJGSCKVOMMJ-UHFFFAOYSA-N 1 1 388.165 2.667 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775867 662497135 /nfs/dbraw/zinc/49/71/35/662497135.db2.gz BEWIBWPXILPBLF-UKRRQHHQSA-N 1 1 396.285 2.843 20 5 GFBDMO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000877627125 662880325 /nfs/dbraw/zinc/88/03/25/662880325.db2.gz MJWYDBMELREJPO-UHFFFAOYSA-N 1 1 394.293 2.680 20 5 GFBDMO CN(c1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1)S(C)(=O)=O ZINC000898281881 663642005 /nfs/dbraw/zinc/64/20/05/663642005.db2.gz RYTVSGWJGKCHTN-UHFFFAOYSA-N 1 1 383.857 2.934 20 5 GFBDMO O=C1N[C@@H](C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Br)CC2)CO1 ZINC000932770781 664836629 /nfs/dbraw/zinc/83/66/29/664836629.db2.gz QUXOUTNOTBTGTJ-CQSZACIVSA-N 1 1 384.230 2.678 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)ccc1Br ZINC000933055002 664848292 /nfs/dbraw/zinc/84/82/92/664848292.db2.gz AUEDARAFARNHEE-ZDUSSCGKSA-N 1 1 385.258 2.863 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000933366327 664860580 /nfs/dbraw/zinc/86/05/80/664860580.db2.gz BERBEQJWXDBJAI-ZYHUDNBSSA-N 1 1 399.289 2.884 20 5 GFBDMO COC(=O)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164621117 719069124 /nfs/dbraw/zinc/06/91/24/719069124.db2.gz HGKLXUIUTASPCB-VQIMIIECSA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816409 720101422 /nfs/dbraw/zinc/10/14/22/720101422.db2.gz YQWIFOZWLJXTIN-KDOFPFPSSA-N 1 1 380.876 2.828 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768962 721121419 /nfs/dbraw/zinc/12/14/19/721121419.db2.gz OMJVTLHBDXJWJC-ROUUACIJSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1 ZINC001164911447 721527035 /nfs/dbraw/zinc/52/70/35/721527035.db2.gz WSFUSIVHBOKUHH-HOCLYGCPSA-N 1 1 376.363 2.610 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027157 721817572 /nfs/dbraw/zinc/81/75/72/721817572.db2.gz SRHWPNINPPOSOA-HQRMLTQVSA-N 1 1 397.479 2.669 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925987 721873380 /nfs/dbraw/zinc/87/33/80/721873380.db2.gz PNDLLMRKFMVKST-MOPGFXCFSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925987 721873383 /nfs/dbraw/zinc/87/33/83/721873383.db2.gz PNDLLMRKFMVKST-MOPGFXCFSA-N 1 1 396.495 2.575 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)cc1 ZINC000359978408 209208725 /nfs/dbraw/zinc/20/87/25/209208725.db2.gz ZTAUQSFCAGYBFF-CABCVRRESA-N 1 1 378.812 2.968 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000124403552 551314196 /nfs/dbraw/zinc/31/41/96/551314196.db2.gz KKWAVDSSWDFQTL-NHYWBVRUSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000179591318 552197064 /nfs/dbraw/zinc/19/70/64/552197064.db2.gz LQOHFCSZWBAMSB-GFCCVEGCSA-N 1 1 383.495 2.992 20 5 GFBDMO C[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])[N@@H+](C)Cc1ccccc1 ZINC000179591318 552197067 /nfs/dbraw/zinc/19/70/67/552197067.db2.gz LQOHFCSZWBAMSB-GFCCVEGCSA-N 1 1 383.495 2.992 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000180174538 552216086 /nfs/dbraw/zinc/21/60/86/552216086.db2.gz YZSXWJWDMCCCFF-STQMWFEESA-N 1 1 387.889 2.661 20 5 GFBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182637352 552289630 /nfs/dbraw/zinc/28/96/30/552289630.db2.gz RQCJUZWNFWYIBE-ZDUSSCGKSA-N 1 1 387.889 2.567 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000183728200 552318144 /nfs/dbraw/zinc/31/81/44/552318144.db2.gz GJPAXFJOENSPDA-CHWSQXEVSA-N 1 1 389.905 2.907 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188229793 552439861 /nfs/dbraw/zinc/43/98/61/552439861.db2.gz KKSFGEOQTCXNEJ-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000245533611 553092061 /nfs/dbraw/zinc/09/20/61/553092061.db2.gz YJERMXOWQFFURN-MFKMUULPSA-N 1 1 382.258 2.974 20 5 GFBDMO CN(C)[C@H](C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000567002841 564353254 /nfs/dbraw/zinc/35/32/54/564353254.db2.gz JKRZVZPXBOJLAV-CQSZACIVSA-N 1 1 389.237 2.629 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000420468290 563265045 /nfs/dbraw/zinc/26/50/45/563265045.db2.gz ZVINWRKQGYUJEM-NSHDSACASA-N 1 1 381.841 2.935 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000420468287 563265170 /nfs/dbraw/zinc/26/51/70/563265170.db2.gz ZVINWRKQGYUJEM-LLVKDONJSA-N 1 1 381.841 2.935 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000373180472 563331085 /nfs/dbraw/zinc/33/10/85/563331085.db2.gz USGDAPCDLOTMPR-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000375537945 563409008 /nfs/dbraw/zinc/40/90/08/563409008.db2.gz VOAVQEXADLUERR-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO CC(C)C[C@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301703880 563411080 /nfs/dbraw/zinc/41/10/80/563411080.db2.gz USFSMCULJOASAT-CYBMUJFWSA-N 1 1 387.278 2.911 20 5 GFBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395279 563518671 /nfs/dbraw/zinc/51/86/71/563518671.db2.gz ARQMGEUBHUDAHQ-OCCSQVGLSA-N 1 1 384.274 2.652 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158479 563894576 /nfs/dbraw/zinc/89/45/76/563894576.db2.gz DLFCWKVBUNWIHC-ZDUSSCGKSA-N 1 1 389.905 2.895 20 5 GFBDMO CCS(=O)(=O)N1CCC([C@H](C)[N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000564249364 564226679 /nfs/dbraw/zinc/22/66/79/564226679.db2.gz BBDDTVYFBGNZNW-LBPRGKRZSA-N 1 1 375.516 2.538 20 5 GFBDMO C[C@@H]1c2cccc(Br)c2CC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465784 564301111 /nfs/dbraw/zinc/30/11/11/564301111.db2.gz TZVBJDZLNBTHKD-YPMHNXCESA-N 1 1 395.257 2.534 20 5 GFBDMO C[C@@H]1c2cccc(Br)c2CC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465784 564301113 /nfs/dbraw/zinc/30/11/13/564301113.db2.gz TZVBJDZLNBTHKD-YPMHNXCESA-N 1 1 395.257 2.534 20 5 GFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Br)cn1 ZINC000566021762 564306368 /nfs/dbraw/zinc/30/63/68/564306368.db2.gz ACHOTJMLZRRISZ-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)Nc1ccc(Br)cn1 ZINC000566021762 564306373 /nfs/dbraw/zinc/30/63/73/564306373.db2.gz ACHOTJMLZRRISZ-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO C[C@@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567003033 564353601 /nfs/dbraw/zinc/35/36/01/564353601.db2.gz RUCCCEDUEHMQMZ-MFKMUULPSA-N 1 1 389.237 2.772 20 5 GFBDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000567003033 564353605 /nfs/dbraw/zinc/35/36/05/564353605.db2.gz RUCCCEDUEHMQMZ-MFKMUULPSA-N 1 1 389.237 2.772 20 5 GFBDMO CCn1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000451896715 564363717 /nfs/dbraw/zinc/36/37/17/564363717.db2.gz SMDBBDVUEUAUAI-SNVBAGLBSA-N 1 1 396.245 2.863 20 5 GFBDMO O=C(CCCC[NH+]1CCOCC1)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000552396608 564690085 /nfs/dbraw/zinc/69/00/85/564690085.db2.gz BBPJLJQKFNBRPY-UHFFFAOYSA-N 1 1 386.246 2.798 20 5 GFBDMO C[C@H]1CC[N@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462150553 564824208 /nfs/dbraw/zinc/82/42/08/564824208.db2.gz MMQZSJIVYQTLAE-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO C[C@H]1CC[N@@H+](C)CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462150553 564824211 /nfs/dbraw/zinc/82/42/11/564824211.db2.gz MMQZSJIVYQTLAE-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462494438 564843552 /nfs/dbraw/zinc/84/35/52/564843552.db2.gz MAPFEQLGAKUFLR-SNVBAGLBSA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462494438 564843554 /nfs/dbraw/zinc/84/35/54/564843554.db2.gz MAPFEQLGAKUFLR-SNVBAGLBSA-N 1 1 382.269 2.616 20 5 GFBDMO Cc1c(Br)c(N[C@@H](C)C[N@H+](C)CCCN(C)C)ncc1[N+](=O)[O-] ZINC000596361540 565521121 /nfs/dbraw/zinc/52/11/21/565521121.db2.gz VQEOBSVBEJUINR-NSHDSACASA-N 1 1 388.310 2.745 20 5 GFBDMO Cc1c(Br)c(N[C@@H](C)C[N@@H+](C)CCCN(C)C)ncc1[N+](=O)[O-] ZINC000596361540 565521124 /nfs/dbraw/zinc/52/11/24/565521124.db2.gz VQEOBSVBEJUINR-NSHDSACASA-N 1 1 388.310 2.745 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290617 565837848 /nfs/dbraw/zinc/83/78/48/565837848.db2.gz IFLFNCWPWMYAQR-AAEUAGOBSA-N 1 1 382.258 2.914 20 5 GFBDMO CN(C)[C@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCSC1 ZINC000602563143 565854846 /nfs/dbraw/zinc/85/48/46/565854846.db2.gz FJUILXKLJQVXKC-LBPRGKRZSA-N 1 1 380.333 2.946 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000603239380 565890864 /nfs/dbraw/zinc/89/08/64/565890864.db2.gz HANPLZPVLJIOBH-UHFFFAOYSA-N 1 1 380.246 2.983 20 5 GFBDMO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000738366723 598466003 /nfs/dbraw/zinc/46/60/03/598466003.db2.gz INSVVNPZKOUUOG-UHFFFAOYSA-N 1 1 376.323 2.666 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000826500389 607524409 /nfs/dbraw/zinc/52/44/09/607524409.db2.gz WVDMHUZUCRBRTF-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c2ccsc2S1(=O)=O ZINC000819322770 660254945 /nfs/dbraw/zinc/25/49/45/660254945.db2.gz IYJFVSRBWFYGMN-NZVBXONLSA-N 1 1 382.463 2.587 20 5 GFBDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827395804 660493465 /nfs/dbraw/zinc/49/34/65/660493465.db2.gz OBOOZOOZUWKDGG-CQSZACIVSA-N 1 1 391.225 2.669 20 5 GFBDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827395804 660493470 /nfs/dbraw/zinc/49/34/70/660493470.db2.gz OBOOZOOZUWKDGG-CQSZACIVSA-N 1 1 391.225 2.669 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830321856 660648331 /nfs/dbraw/zinc/64/83/31/660648331.db2.gz DQWBKMKTKMWUTE-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000832763766 660798890 /nfs/dbraw/zinc/79/88/90/660798890.db2.gz DUAXKKPXJOGHNM-LBPRGKRZSA-N 1 1 375.878 2.660 20 5 GFBDMO CC[N@@H+]1CCc2[nH]c(=NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)sc2C1 ZINC000021294280 654526595 /nfs/dbraw/zinc/52/65/95/654526595.db2.gz BZQJTCXWBTXJAD-UHFFFAOYSA-N 1 1 378.479 2.825 20 5 GFBDMO CC[N@H+]1CCc2[nH]c(=NC(=O)c3ccc(SC)c([N+](=O)[O-])c3)sc2C1 ZINC000021294280 654526598 /nfs/dbraw/zinc/52/65/98/654526598.db2.gz BZQJTCXWBTXJAD-UHFFFAOYSA-N 1 1 378.479 2.825 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000055966037 654785643 /nfs/dbraw/zinc/78/56/43/654785643.db2.gz OVHPOVJODSCAEN-GFCCVEGCSA-N 1 1 389.886 2.891 20 5 GFBDMO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133562454 654967640 /nfs/dbraw/zinc/96/76/40/654967640.db2.gz OXVYKHFPWMPDHD-ZJUUUORDSA-N 1 1 375.397 2.628 20 5 GFBDMO C[C@@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133562454 654967641 /nfs/dbraw/zinc/96/76/41/654967641.db2.gz OXVYKHFPWMPDHD-ZJUUUORDSA-N 1 1 375.397 2.628 20 5 GFBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000120568475 655339395 /nfs/dbraw/zinc/33/93/95/655339395.db2.gz LWYHATPUFRQHRI-GFCCVEGCSA-N 1 1 384.274 2.748 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246258560 655429679 /nfs/dbraw/zinc/42/96/79/655429679.db2.gz KQPQDKRUSDXKQO-TZMCWYRMSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729481686 655564827 /nfs/dbraw/zinc/56/48/27/655564827.db2.gz HTRHKKKJNNBBLB-GFCCVEGCSA-N 1 1 375.878 2.791 20 5 GFBDMO C[C@@H]1CCC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754636906 655870715 /nfs/dbraw/zinc/87/07/15/655870715.db2.gz SBACSZMXYJEYHX-SNVBAGLBSA-N 1 1 388.237 2.958 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000771555469 656352860 /nfs/dbraw/zinc/35/28/60/656352860.db2.gz GGOPPGXMXRUNBS-GFCCVEGCSA-N 1 1 375.878 2.708 20 5 GFBDMO CN(C)c1cc[nH+]c(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)n1 ZINC000804705897 659670914 /nfs/dbraw/zinc/67/09/14/659670914.db2.gz OKKYIAXFLQUDSB-UHFFFAOYSA-N 1 1 378.230 2.776 20 5 GFBDMO O=C([C@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000809772098 659938743 /nfs/dbraw/zinc/93/87/43/659938743.db2.gz SKDUXUGISUFBKM-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000809772098 659938747 /nfs/dbraw/zinc/93/87/47/659938747.db2.gz SKDUXUGISUFBKM-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000809815356 659941198 /nfs/dbraw/zinc/94/11/98/659941198.db2.gz FBBYQQUNBCGEKP-SNVBAGLBSA-N 1 1 394.280 2.664 20 5 GFBDMO CCc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)[nH]n1 ZINC000810144834 659964424 /nfs/dbraw/zinc/96/44/24/659964424.db2.gz IWYJFDJHKJRNIH-UHFFFAOYSA-N 1 1 386.193 2.775 20 5 GFBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@@H+]1CC(C)(C)O ZINC000813530399 660056313 /nfs/dbraw/zinc/05/63/13/660056313.db2.gz LZRNDCKMTPAKOO-JTQLQIEISA-N 1 1 390.267 2.819 20 5 GFBDMO C[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000813530399 660056317 /nfs/dbraw/zinc/05/63/17/660056317.db2.gz LZRNDCKMTPAKOO-JTQLQIEISA-N 1 1 390.267 2.819 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000814988708 660100357 /nfs/dbraw/zinc/10/03/57/660100357.db2.gz SPXVPPDUXHGTID-WDEREUQCSA-N 1 1 393.868 2.786 20 5 GFBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000816952257 660174246 /nfs/dbraw/zinc/17/42/46/660174246.db2.gz GNWNJZNQIZADNZ-PELKAZGASA-N 1 1 388.649 2.787 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000842721944 661351055 /nfs/dbraw/zinc/35/10/55/661351055.db2.gz MXADPMGDHANWMI-ZDUSSCGKSA-N 1 1 382.825 2.573 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000849412446 661719097 /nfs/dbraw/zinc/71/90/97/661719097.db2.gz OCRQHHPVPFUEFP-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849412446 661719100 /nfs/dbraw/zinc/71/91/00/661719100.db2.gz OCRQHHPVPFUEFP-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000859348394 662155339 /nfs/dbraw/zinc/15/53/39/662155339.db2.gz ZQXIGYWJFPVROI-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000859348394 662155341 /nfs/dbraw/zinc/15/53/41/662155341.db2.gz ZQXIGYWJFPVROI-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000925761626 664674388 /nfs/dbraw/zinc/67/43/88/664674388.db2.gz DADHVIWSOURQQK-ZNMIVQPWSA-N 1 1 384.274 2.604 20 5 GFBDMO Cc1c(NC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000931252404 664789299 /nfs/dbraw/zinc/78/92/99/664789299.db2.gz JGWLFZFQCOIZFH-PHIMTYICSA-N 1 1 383.246 2.691 20 5 GFBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N)c([N+](=O)[O-])cn2)CC3)cs1 ZINC001164693929 719810480 /nfs/dbraw/zinc/81/04/80/719810480.db2.gz SGXLYJYLCBQLIM-UHFFFAOYSA-N 1 1 388.497 2.972 20 5 GFBDMO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728771 720432786 /nfs/dbraw/zinc/43/27/86/720432786.db2.gz GIMLQFSXXCBNJF-RJOCJTBNSA-N 1 1 394.479 2.770 20 5 GFBDMO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840576 720520284 /nfs/dbraw/zinc/52/02/84/720520284.db2.gz WJQFHHVQEYLUIG-OKZBNKHCSA-N 1 1 384.484 2.873 20 5 GFBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838466 720529582 /nfs/dbraw/zinc/52/95/82/720529582.db2.gz OADWRNZXEZSAKD-QILLFSRXSA-N 1 1 388.447 2.703 20 5 GFBDMO CC(C)Oc1nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001164788835 721430247 /nfs/dbraw/zinc/43/02/47/721430247.db2.gz TUDREFSXTWVHSN-KBPBESRZSA-N 1 1 389.481 2.802 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165027159 721817743 /nfs/dbraw/zinc/81/77/43/721817743.db2.gz SRHWPNINPPOSOA-ILZDJORESA-N 1 1 397.479 2.669 20 5 GFBDMO Cc1cc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930179 721882317 /nfs/dbraw/zinc/88/23/17/721882317.db2.gz CIPLZWVFSLCSHM-OALUTQOASA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1cc(N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930179 721882320 /nfs/dbraw/zinc/88/23/20/721882320.db2.gz CIPLZWVFSLCSHM-OALUTQOASA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930178 721882507 /nfs/dbraw/zinc/88/25/07/721882507.db2.gz CIPLZWVFSLCSHM-MOPGFXCFSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1cc(N2CC[C@@H]3[C@@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930178 721882508 /nfs/dbraw/zinc/88/25/08/721882508.db2.gz CIPLZWVFSLCSHM-MOPGFXCFSA-N 1 1 396.495 2.575 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110375827 551204222 /nfs/dbraw/zinc/20/42/22/551204222.db2.gz OVVJVPSFHNUGBP-NSHDSACASA-N 1 1 377.413 2.735 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000126136867 551326621 /nfs/dbraw/zinc/32/66/21/551326621.db2.gz JBVJQUNGPGVHMV-QWHCGFSZSA-N 1 1 382.258 2.974 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000153143577 551447511 /nfs/dbraw/zinc/44/75/11/551447511.db2.gz IWZLFSKTVMEQCD-CYBMUJFWSA-N 1 1 382.258 2.500 20 5 GFBDMO [NH3+]C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000237844975 553082983 /nfs/dbraw/zinc/08/29/83/553082983.db2.gz ITOBABHHQREHNM-UHFFFAOYSA-N 1 1 382.269 2.842 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1cccs1 ZINC000369540572 563216167 /nfs/dbraw/zinc/21/61/67/563216167.db2.gz ORXRPIVAFGFNCN-WBMJQRKESA-N 1 1 381.479 2.628 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369538670 563216625 /nfs/dbraw/zinc/21/66/25/563216625.db2.gz DMFWFSAWDWGKIQ-IINYFYTJSA-N 1 1 387.508 2.689 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868729 563274172 /nfs/dbraw/zinc/27/41/72/563274172.db2.gz XSCJNEFSCVERAB-ZJUUUORDSA-N 1 1 388.287 2.975 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313340351 563437783 /nfs/dbraw/zinc/43/77/83/563437783.db2.gz MDHFSBYEHACATQ-OAHLLOKOSA-N 1 1 381.841 2.583 20 5 GFBDMO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000330563120 563511299 /nfs/dbraw/zinc/51/12/99/563511299.db2.gz JURMAPWUJLTJGZ-NWDGAFQWSA-N 1 1 399.289 2.710 20 5 GFBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395273 563519038 /nfs/dbraw/zinc/51/90/38/563519038.db2.gz ARQMGEUBHUDAHQ-JSGCOSHPSA-N 1 1 384.274 2.652 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331581266 563553907 /nfs/dbraw/zinc/55/39/07/563553907.db2.gz WPYTZOQNSXGLJK-VFZGTOFNSA-N 1 1 382.258 2.878 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332046522 563572489 /nfs/dbraw/zinc/57/24/89/563572489.db2.gz MKBGQIYKAQGVAC-LSDHHAIUSA-N 1 1 382.258 2.643 20 5 GFBDMO Cc1c(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)cc(Br)cc1[N+](=O)[O-] ZINC000332274473 563589896 /nfs/dbraw/zinc/58/98/96/563589896.db2.gz HBUQTGAPQHZXQS-CQSZACIVSA-N 1 1 389.225 2.831 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416368622 563818313 /nfs/dbraw/zinc/81/83/13/563818313.db2.gz HRDOLJZRKWLBMV-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416480813 563835635 /nfs/dbraw/zinc/83/56/35/563835635.db2.gz AQSNTXGBXNQBAW-JTQLQIEISA-N 1 1 383.392 2.621 20 5 GFBDMO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000474349107 564275311 /nfs/dbraw/zinc/27/53/11/564275311.db2.gz JRFVBXSJKGGPOI-UHFFFAOYSA-N 1 1 383.589 2.868 20 5 GFBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCC[NH+]1CCSCC1 ZINC000543279112 564344927 /nfs/dbraw/zinc/34/49/27/564344927.db2.gz URWCDQYRISSTPE-UHFFFAOYSA-N 1 1 375.903 2.505 20 5 GFBDMO CN(C)CC(C)(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000453629231 564460463 /nfs/dbraw/zinc/46/04/63/564460463.db2.gz YOCIBSIHXWYPGZ-UHFFFAOYSA-N 1 1 377.226 2.629 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000481981090 564530764 /nfs/dbraw/zinc/53/07/64/564530764.db2.gz NQVDZKQAOYYLMR-OAHLLOKOSA-N 1 1 383.495 2.854 20 5 GFBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000517549879 564536545 /nfs/dbraw/zinc/53/65/45/564536545.db2.gz YKOQFBYURVETJR-UHFFFAOYSA-N 1 1 383.495 2.977 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000518658883 564559934 /nfs/dbraw/zinc/55/99/34/564559934.db2.gz ZERAGMALEPVPRU-VXGBXAGGSA-N 1 1 375.878 2.789 20 5 GFBDMO CC(C)(O)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000573022610 564620232 /nfs/dbraw/zinc/62/02/32/564620232.db2.gz MPJPOCMADCDGAR-UHFFFAOYSA-N 1 1 390.221 2.935 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(I)cc3[N+](=O)[O-])C2)C1 ZINC000558953038 564918856 /nfs/dbraw/zinc/91/88/56/564918856.db2.gz KLZALAIDLVNDBD-CQSZACIVSA-N 1 1 387.221 2.731 20 5 GFBDMO Cc1sc(S(=O)(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467406841 564962383 /nfs/dbraw/zinc/96/23/83/564962383.db2.gz LHGYVSAMSMHCFZ-TXEJJXNPSA-N 1 1 375.516 2.611 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000561405441 564994043 /nfs/dbraw/zinc/99/40/43/564994043.db2.gz GWCABSUIQUCFLG-GFCCVEGCSA-N 1 1 387.221 2.526 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(CN[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000561405441 564994046 /nfs/dbraw/zinc/99/40/46/564994046.db2.gz GWCABSUIQUCFLG-GFCCVEGCSA-N 1 1 387.221 2.526 20 5 GFBDMO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c(Cl)c1 ZINC000592370495 565272708 /nfs/dbraw/zinc/27/27/08/565272708.db2.gz BKPPBLQLCHTOPJ-ZDUSSCGKSA-N 1 1 382.825 2.573 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597577429 565564767 /nfs/dbraw/zinc/56/47/67/565564767.db2.gz GHWPQOUWOWRUGV-KGLIPLIRSA-N 1 1 386.221 2.616 20 5 GFBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601445871 565784197 /nfs/dbraw/zinc/78/41/97/565784197.db2.gz MLQWTEQCUGHCAV-CYBMUJFWSA-N 1 1 394.280 2.616 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Oc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000738366114 598249593 /nfs/dbraw/zinc/24/95/93/598249593.db2.gz CTNVFCVDUOBILG-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO Cc1nc([N+](=O)[O-])c(Br)n1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817579596 660201533 /nfs/dbraw/zinc/20/15/33/660201533.db2.gz COILAHLSNMFOKK-UHFFFAOYSA-N 1 1 395.257 2.743 20 5 GFBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830434888 660656353 /nfs/dbraw/zinc/65/63/53/660656353.db2.gz NWAUAELCYSRJMP-VIFPVBQESA-N 1 1 382.269 2.522 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000057704759 654808488 /nfs/dbraw/zinc/80/84/88/654808488.db2.gz XCIYVUZMYNLTBW-OAHLLOKOSA-N 1 1 381.479 2.772 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000130974612 654894678 /nfs/dbraw/zinc/89/46/78/654894678.db2.gz SDQLZQVLAAKKOL-ZDUSSCGKSA-N 1 1 382.214 2.983 20 5 GFBDMO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105432781 655093262 /nfs/dbraw/zinc/09/32/62/655093262.db2.gz MNNBMRNMLQVDFD-UHFFFAOYSA-N 1 1 383.495 2.774 20 5 GFBDMO COCC(COC)[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000839623536 661096507 /nfs/dbraw/zinc/09/65/07/661096507.db2.gz MCKGLCJZRQPBLF-UHFFFAOYSA-N 1 1 392.283 2.681 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115585409 655239497 /nfs/dbraw/zinc/23/94/97/655239497.db2.gz RVIWRBLLRDPQOO-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000118994492 655286134 /nfs/dbraw/zinc/28/61/34/655286134.db2.gz PEJYZWKFPLTSQT-CJNGLKHVSA-N 1 1 396.285 2.843 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246063010 655428854 /nfs/dbraw/zinc/42/88/54/655428854.db2.gz DKDQKBIQBWZFTF-AAEUAGOBSA-N 1 1 375.878 2.599 20 5 GFBDMO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000579292641 655497179 /nfs/dbraw/zinc/49/71/79/655497179.db2.gz UQCNDWOTDBVPOZ-VIFPVBQESA-N 1 1 384.285 2.909 20 5 GFBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000579292641 655497180 /nfs/dbraw/zinc/49/71/80/655497180.db2.gz UQCNDWOTDBVPOZ-VIFPVBQESA-N 1 1 384.285 2.909 20 5 GFBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+](C2CCC2)CC1 ZINC000755007080 655878372 /nfs/dbraw/zinc/87/83/72/655878372.db2.gz IGSIIRULGLLREL-UHFFFAOYSA-N 1 1 386.221 2.807 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)cc[nH+]1 ZINC000766077307 656159898 /nfs/dbraw/zinc/15/98/98/656159898.db2.gz LXPRWYJJRKTVHM-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO C[N@H+](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000773462437 656449786 /nfs/dbraw/zinc/44/97/86/656449786.db2.gz XKTHPSPANWLJPH-NSHDSACASA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000773462437 656449794 /nfs/dbraw/zinc/44/97/94/656449794.db2.gz XKTHPSPANWLJPH-NSHDSACASA-N 1 1 389.271 2.838 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000784719618 657323771 /nfs/dbraw/zinc/32/37/71/657323771.db2.gz DGWWREKYPDPUOA-WCQYABFASA-N 1 1 389.905 2.955 20 5 GFBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421096 658094858 /nfs/dbraw/zinc/09/48/58/658094858.db2.gz GBKQUZWCVYZPMG-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421096 658094869 /nfs/dbraw/zinc/09/48/69/658094869.db2.gz GBKQUZWCVYZPMG-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809444 659940700 /nfs/dbraw/zinc/94/07/00/659940700.db2.gz XZCAIRDUTPZTLI-RYUDHWBXSA-N 1 1 394.280 2.807 20 5 GFBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809847383 659948907 /nfs/dbraw/zinc/94/89/07/659948907.db2.gz RFJRIGWQJQFLLT-JTQLQIEISA-N 1 1 381.857 2.786 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034805 660105175 /nfs/dbraw/zinc/10/51/75/660105175.db2.gz CEAICPGLJNFALJ-WDEREUQCSA-N 1 1 393.868 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000851894391 661843832 /nfs/dbraw/zinc/84/38/32/661843832.db2.gz CGFRXZLVQQOAOX-CYBMUJFWSA-N 1 1 387.889 2.649 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000859348393 662155366 /nfs/dbraw/zinc/15/53/66/662155366.db2.gz ZQXIGYWJFPVROI-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000859348393 662155368 /nfs/dbraw/zinc/15/53/68/662155368.db2.gz ZQXIGYWJFPVROI-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)cc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000866121628 662461075 /nfs/dbraw/zinc/46/10/75/662461075.db2.gz UOXBJEJXRAYKTQ-UHFFFAOYSA-N 1 1 392.257 2.512 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)ccc1Br ZINC000880584352 662963255 /nfs/dbraw/zinc/96/32/55/662963255.db2.gz IZLQHMBMJVGTIO-CYBMUJFWSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)ccc1Br ZINC000880584352 662963256 /nfs/dbraw/zinc/96/32/56/662963256.db2.gz IZLQHMBMJVGTIO-CYBMUJFWSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955245 663079579 /nfs/dbraw/zinc/07/95/79/663079579.db2.gz RNYNXVAMEXXDJH-NXEZZACHSA-N 1 1 394.280 2.807 20 5 GFBDMO Cc1ccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)cc1[N+](=O)[O-] ZINC000897977766 663628066 /nfs/dbraw/zinc/62/80/66/663628066.db2.gz KAXMTHMGVQXYPJ-ZDUSSCGKSA-N 1 1 391.225 2.714 20 5 GFBDMO CC(C)c1[nH+]ccn1CC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000899214181 663679965 /nfs/dbraw/zinc/67/99/65/663679965.db2.gz UJEGNGBOGVKCQP-UHFFFAOYSA-N 1 1 381.230 2.994 20 5 GFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@](O)(c3ccc(Br)cc3)C2)c1 ZINC000932810412 664839556 /nfs/dbraw/zinc/83/95/56/664839556.db2.gz SOAQYQJQSXIMGE-INIZCTEOSA-N 1 1 395.257 2.537 20 5 GFBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164649732 719308273 /nfs/dbraw/zinc/30/82/73/719308273.db2.gz XLQOSSMGZRIGPW-UHFFFAOYSA-N 1 1 395.467 2.940 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc3cc([N+](=O)[O-])ccc3n1)C2 ZINC001164810902 720087460 /nfs/dbraw/zinc/08/74/60/720087460.db2.gz MFRVNEAYWPQANH-HRAATJIYSA-N 1 1 397.479 2.723 20 5 GFBDMO Cc1c(C)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001164971378 722124128 /nfs/dbraw/zinc/12/41/28/722124128.db2.gz BSDFNUYILYJDFA-AZUAARDMSA-N 1 1 397.479 2.729 20 5 GFBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000127994893 551345558 /nfs/dbraw/zinc/34/55/58/551345558.db2.gz BGEJNHVQFXKARV-CQSZACIVSA-N 1 1 387.267 2.820 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1ccco1 ZINC000161402559 551594070 /nfs/dbraw/zinc/59/40/70/551594070.db2.gz ITFNHYSGLHPLLB-ZDUSSCGKSA-N 1 1 382.214 2.983 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172519490 551680982 /nfs/dbraw/zinc/68/09/82/551680982.db2.gz HLCDHGCSISEDAH-SNVBAGLBSA-N 1 1 381.230 2.928 20 5 GFBDMO C[C@H]1CCC[N@@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569566 552196483 /nfs/dbraw/zinc/19/64/83/552196483.db2.gz QBZLJLVFGHSOKV-LBPRGKRZSA-N 1 1 375.516 2.984 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)c1 ZINC000371891608 563290177 /nfs/dbraw/zinc/29/01/77/563290177.db2.gz JYDCRUOTFPDURW-CZUORRHYSA-N 1 1 395.257 2.752 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000375391202 563402423 /nfs/dbraw/zinc/40/24/23/563402423.db2.gz MIMHXOMDTWXANM-UHFFFAOYSA-N 1 1 385.243 2.882 20 5 GFBDMO CCN1CC[NH+]([C@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000425410446 563420765 /nfs/dbraw/zinc/42/07/65/563420765.db2.gz XGGKZSDSGQYZIF-INIZCTEOSA-N 1 1 397.317 2.569 20 5 GFBDMO CN(C)CC[N@H+](C)CCCN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458519 563423744 /nfs/dbraw/zinc/42/37/44/563423744.db2.gz MWITUGJBZSDNPD-UHFFFAOYSA-N 1 1 387.322 2.673 20 5 GFBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425458519 563423748 /nfs/dbraw/zinc/42/37/48/563423748.db2.gz MWITUGJBZSDNPD-UHFFFAOYSA-N 1 1 387.322 2.673 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@H]2C1 ZINC000376664255 563449968 /nfs/dbraw/zinc/44/99/68/563449968.db2.gz OSURHJAIKIVQTH-ZANVPECISA-N 1 1 386.221 2.663 20 5 GFBDMO O=[N+]([O-])c1nn(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000284340054 563471802 /nfs/dbraw/zinc/47/18/02/563471802.db2.gz VGLWREQPYGRJBT-AWEZNQCLSA-N 1 1 395.257 2.845 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332046515 563572499 /nfs/dbraw/zinc/57/24/99/563572499.db2.gz MKBGQIYKAQGVAC-GJZGRUSLSA-N 1 1 382.258 2.643 20 5 GFBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289086145 563667745 /nfs/dbraw/zinc/66/77/45/563667745.db2.gz HXZJWZZXMKAXDZ-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289086145 563667747 /nfs/dbraw/zinc/66/77/47/563667747.db2.gz HXZJWZZXMKAXDZ-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000290115184 563698828 /nfs/dbraw/zinc/69/88/28/563698828.db2.gz YCMDAWVBWGODNL-JTQLQIEISA-N 1 1 376.194 2.668 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077889 563735630 /nfs/dbraw/zinc/73/56/30/563735630.db2.gz KTXFBOJUNPAUMT-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)C1 ZINC000292077698 563772494 /nfs/dbraw/zinc/77/24/94/563772494.db2.gz QRLMXTVUUQVVPD-AWEZNQCLSA-N 1 1 394.280 2.618 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292151159 563776069 /nfs/dbraw/zinc/77/60/69/563776069.db2.gz INEKEOWSQLIIPH-INIZCTEOSA-N 1 1 382.258 2.834 20 5 GFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365790750 563793854 /nfs/dbraw/zinc/79/38/54/563793854.db2.gz UVKFKLDIXZCUBF-GFCCVEGCSA-N 1 1 387.864 2.580 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000511148553 564360455 /nfs/dbraw/zinc/36/04/55/564360455.db2.gz ZBJQFHMNLGAYCO-BETUJISGSA-N 1 1 389.905 2.895 20 5 GFBDMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000513022242 564417759 /nfs/dbraw/zinc/41/77/59/564417759.db2.gz RHONEJBKAYGPFR-UHFFFAOYSA-N 1 1 389.886 2.686 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+](CCO)C2CCC2)c1 ZINC000570975452 564530648 /nfs/dbraw/zinc/53/06/48/564530648.db2.gz MKEDDFOPSZLUOD-UHFFFAOYSA-N 1 1 376.194 2.546 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000576029160 564704769 /nfs/dbraw/zinc/70/47/69/564704769.db2.gz BGNPSVPKKCZPJN-NWDGAFQWSA-N 1 1 382.258 2.974 20 5 GFBDMO C[C@H]1C[N@@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053489 564867807 /nfs/dbraw/zinc/86/78/07/564867807.db2.gz JHTXRSUKBVREDZ-JOYOIKCWSA-N 1 1 381.230 2.996 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594789713 565421821 /nfs/dbraw/zinc/42/18/21/565421821.db2.gz KHFWXRLZABABMI-LLVKDONJSA-N 1 1 375.878 2.647 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595831258 565492390 /nfs/dbraw/zinc/49/23/90/565492390.db2.gz ZPSMYMZVRCXNHW-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595831258 565492396 /nfs/dbraw/zinc/49/23/96/565492396.db2.gz ZPSMYMZVRCXNHW-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO Cc1c(Br)c(N2CCC([N@@H+]3CCOC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603401208 565902218 /nfs/dbraw/zinc/90/22/18/565902218.db2.gz JIGQGUILVXBGCU-LLVKDONJSA-N 1 1 399.289 2.750 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603658872 565913172 /nfs/dbraw/zinc/91/31/72/565913172.db2.gz KCFSDJZTGXMIEI-NEPJUHHUSA-N 1 1 389.905 2.955 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000610782625 566099409 /nfs/dbraw/zinc/09/94/09/566099409.db2.gz XDWRTXMAWBCVGJ-UHFFFAOYSA-N 1 1 386.239 2.977 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000610782625 566099413 /nfs/dbraw/zinc/09/94/13/566099413.db2.gz XDWRTXMAWBCVGJ-UHFFFAOYSA-N 1 1 386.239 2.977 20 5 GFBDMO Cn1cc(Br)c(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000824780574 660401827 /nfs/dbraw/zinc/40/18/27/660401827.db2.gz UYEKAWZIDBKKFO-UHFFFAOYSA-N 1 1 394.273 2.849 20 5 GFBDMO CC(C)[N@@H+](C)CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267959826 654954215 /nfs/dbraw/zinc/95/42/15/654954215.db2.gz ZOWAIZBUEIJPQZ-UHFFFAOYSA-N 1 1 376.226 2.957 20 5 GFBDMO CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132834 655017554 /nfs/dbraw/zinc/01/75/54/655017554.db2.gz FHNZSTMZKVMSSS-OAHLLOKOSA-N 1 1 397.317 2.569 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000093394836 655019345 /nfs/dbraw/zinc/01/93/45/655019345.db2.gz FKMXDABWUHGDDN-UHFFFAOYSA-N 1 1 386.290 2.636 20 5 GFBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000273149349 655132404 /nfs/dbraw/zinc/13/24/04/655132404.db2.gz XFCXMNLLUIBTRA-ZDUSSCGKSA-N 1 1 378.738 2.521 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746053056 655757926 /nfs/dbraw/zinc/75/79/26/655757926.db2.gz GRKBXDKMVVCTCV-ZDUSSCGKSA-N 1 1 387.889 2.601 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000752234888 655841125 /nfs/dbraw/zinc/84/11/25/655841125.db2.gz NJYSDFKKEMHVFV-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000771730421 656360553 /nfs/dbraw/zinc/36/05/53/656360553.db2.gz KIMHWLFHLPSVNT-CQSZACIVSA-N 1 1 387.458 2.685 20 5 GFBDMO CN(CCC[N@@H+](C)Cc1ccco1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000795752475 658846799 /nfs/dbraw/zinc/84/67/99/658846799.db2.gz OCMSJZAGXMPMRC-UHFFFAOYSA-N 1 1 386.250 2.558 20 5 GFBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000810121386 659963125 /nfs/dbraw/zinc/96/31/25/659963125.db2.gz WYFVXMOCTGHRPF-LBPRGKRZSA-N 1 1 377.894 2.955 20 5 GFBDMO Cc1[nH+]ccn1-c1ncccc1CNc1c(Br)cncc1[N+](=O)[O-] ZINC000811826242 660016136 /nfs/dbraw/zinc/01/61/36/660016136.db2.gz UTKRMNTWKLCQNO-UHFFFAOYSA-N 1 1 389.213 2.675 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000878691575 662902524 /nfs/dbraw/zinc/90/25/24/662902524.db2.gz PEUVXMRNFSVFLN-AWEZNQCLSA-N 1 1 383.246 2.528 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000889718264 663259516 /nfs/dbraw/zinc/25/95/16/663259516.db2.gz JCLRBKMEBDUYQE-MRXNPFEDSA-N 1 1 397.273 2.595 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722111 663525594 /nfs/dbraw/zinc/52/55/94/663525594.db2.gz RTRPQBMCMUVKDX-LBPRGKRZSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000895722111 663525596 /nfs/dbraw/zinc/52/55/96/663525596.db2.gz RTRPQBMCMUVKDX-LBPRGKRZSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)s1 ZINC000897618596 663613921 /nfs/dbraw/zinc/61/39/21/663613921.db2.gz GSHAIIZMOIKZGC-BETUJISGSA-N 1 1 378.475 2.800 20 5 GFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)s1 ZINC000897618596 663613922 /nfs/dbraw/zinc/61/39/22/663613922.db2.gz GSHAIIZMOIKZGC-BETUJISGSA-N 1 1 378.475 2.800 20 5 GFBDMO C[N@H+]1CC[C@H](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000904020562 663817724 /nfs/dbraw/zinc/81/77/24/663817724.db2.gz SBOMKIZXHIZGHR-SNVBAGLBSA-N 1 1 381.230 2.825 20 5 GFBDMO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)n1 ZINC000932810847 664839432 /nfs/dbraw/zinc/83/94/32/664839432.db2.gz WWPAOECGXIZKAY-MRXNPFEDSA-N 1 1 395.257 2.537 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1Br ZINC000933055917 664848611 /nfs/dbraw/zinc/84/86/11/664848611.db2.gz PSBABTXGAVWOEP-CYBMUJFWSA-N 1 1 385.258 2.863 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808493 720085153 /nfs/dbraw/zinc/08/51/53/720085153.db2.gz HRMDUKUEFNNPDM-RDTXWAMCSA-N 1 1 380.876 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164722151 720344386 /nfs/dbraw/zinc/34/43/86/720344386.db2.gz FGXNCFKWYLONHQ-MOPGFXCFSA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721781 720373572 /nfs/dbraw/zinc/37/35/72/720373572.db2.gz BAPLPAKWXOVEEU-MOPGFXCFSA-N 1 1 376.420 2.786 20 5 GFBDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837893 720509123 /nfs/dbraw/zinc/50/91/23/720509123.db2.gz QLVLKENBPBKETP-ZIFCJYIRSA-N 1 1 384.484 2.873 20 5 GFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867116 721049347 /nfs/dbraw/zinc/04/93/47/721049347.db2.gz HYQGGYWQVFCBDN-GJZGRUSLSA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164795850 721527864 /nfs/dbraw/zinc/52/78/64/721527864.db2.gz TVZHMWGGJWJYEE-FHWLQOOXSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164795850 721527868 /nfs/dbraw/zinc/52/78/68/721527868.db2.gz TVZHMWGGJWJYEE-FHWLQOOXSA-N 1 1 383.452 2.561 20 5 GFBDMO CC[NH+]1CCC(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000018057036 551113499 /nfs/dbraw/zinc/11/34/99/551113499.db2.gz MEUSZJIFOHAIME-UHFFFAOYSA-N 1 1 381.376 2.785 20 5 GFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H](CO)C(C)(C)C ZINC000134410352 551385134 /nfs/dbraw/zinc/38/51/34/551385134.db2.gz SYNVVFZDMHUIGS-CYBMUJFWSA-N 1 1 388.262 2.635 20 5 GFBDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154786800 551482986 /nfs/dbraw/zinc/48/29/86/551482986.db2.gz FAZOZTYVNJQZPU-SMDDNHRTSA-N 1 1 382.258 2.595 20 5 GFBDMO C[NH+](C)CCN(Cc1cccs1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000162255786 551606108 /nfs/dbraw/zinc/60/61/08/551606108.db2.gz ZOJHHNBYWMDFKG-UHFFFAOYSA-N 1 1 383.495 2.628 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173669194 552090956 /nfs/dbraw/zinc/09/09/56/552090956.db2.gz JZCYKBHHIZQLNO-LBPRGKRZSA-N 1 1 375.878 2.743 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]C2(c3nccs3)CCCC2)cc1 ZINC000182193307 552277436 /nfs/dbraw/zinc/27/74/36/552277436.db2.gz FFRNSNFWDREISL-UHFFFAOYSA-N 1 1 381.479 2.884 20 5 GFBDMO [NH3+]C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237903232 553083894 /nfs/dbraw/zinc/08/38/94/553083894.db2.gz MJOFJJHZDBZOOM-KWQFWETISA-N 1 1 382.269 2.697 20 5 GFBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000372745060 563315942 /nfs/dbraw/zinc/31/59/42/563315942.db2.gz VEOPFOJABJFDIP-HNNXBMFYSA-N 1 1 381.479 2.576 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000373180469 563330877 /nfs/dbraw/zinc/33/08/77/563330877.db2.gz USGDAPCDLOTMPR-HZMBPMFUSA-N 1 1 383.246 2.915 20 5 GFBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301360537 563401450 /nfs/dbraw/zinc/40/14/50/563401450.db2.gz PZOVNYLJZAIQNQ-HNNXBMFYSA-N 1 1 397.317 2.964 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285538968 563525651 /nfs/dbraw/zinc/52/56/51/563525651.db2.gz HUPVPQXJWQMBGL-XHDPSFHLSA-N 1 1 382.258 2.832 20 5 GFBDMO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842525 563712616 /nfs/dbraw/zinc/71/26/16/563712616.db2.gz SAHLEEKTFVVYLG-INIZCTEOSA-N 1 1 397.273 2.825 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292151161 563776085 /nfs/dbraw/zinc/77/60/85/563776085.db2.gz INEKEOWSQLIIPH-MRXNPFEDSA-N 1 1 382.258 2.834 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000366643316 563816651 /nfs/dbraw/zinc/81/66/51/563816651.db2.gz YHGRCHPQWTWFFA-ZDUSSCGKSA-N 1 1 382.258 2.976 20 5 GFBDMO C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000567284230 564364652 /nfs/dbraw/zinc/36/46/52/564364652.db2.gz IMEJBOFAHLMPAC-SNVBAGLBSA-N 1 1 389.237 2.772 20 5 GFBDMO C[C@H](CNCc1cc(I)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000567284230 564364655 /nfs/dbraw/zinc/36/46/55/564364655.db2.gz IMEJBOFAHLMPAC-SNVBAGLBSA-N 1 1 389.237 2.772 20 5 GFBDMO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCCS3(=O)=O)cs2)c1 ZINC000544180153 564378180 /nfs/dbraw/zinc/37/81/80/564378180.db2.gz ARYMVNCSAGYLFW-OAHLLOKOSA-N 1 1 381.479 2.775 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452113907 564393924 /nfs/dbraw/zinc/39/39/24/564393924.db2.gz IXSNJLYGUAQKTG-CYBMUJFWSA-N 1 1 399.289 2.710 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000525387738 564699872 /nfs/dbraw/zinc/69/98/72/564699872.db2.gz JCBXXSRADCUVJA-NWDGAFQWSA-N 1 1 375.878 2.742 20 5 GFBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)cs1 ZINC000494046293 564816224 /nfs/dbraw/zinc/81/62/24/564816224.db2.gz FQONZKKSGDOZAW-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc(Br)cs1 ZINC000494046293 564816226 /nfs/dbraw/zinc/81/62/26/564816226.db2.gz FQONZKKSGDOZAW-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC000497732219 564874587 /nfs/dbraw/zinc/87/45/87/564874587.db2.gz IQKBPOLNBGNEBK-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1sc(S(=O)(=O)NCCC[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000466970423 564952011 /nfs/dbraw/zinc/95/20/11/564952011.db2.gz CLRPEXSBICNMIS-UHFFFAOYSA-N 1 1 375.516 2.898 20 5 GFBDMO COCC[NH+]1CCN(c2c3cc(Br)ccc3ncc2[N+](=O)[O-])CC1 ZINC000502097422 564991576 /nfs/dbraw/zinc/99/15/76/564991576.db2.gz KGYXZTPHZNIMBH-UHFFFAOYSA-N 1 1 395.257 2.674 20 5 GFBDMO CC[NH+]1CCC(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000562400548 565027519 /nfs/dbraw/zinc/02/75/19/565027519.db2.gz LYDQLDBHQJKHMA-UHFFFAOYSA-N 1 1 396.296 2.912 20 5 GFBDMO Cc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000616059672 565187566 /nfs/dbraw/zinc/18/75/66/565187566.db2.gz PTVXUPQYQVXPFT-CQSZACIVSA-N 1 1 397.317 2.882 20 5 GFBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000594475026 565392567 /nfs/dbraw/zinc/39/25/67/565392567.db2.gz NIMBQTOFLPCGNW-UHFFFAOYSA-N 1 1 375.878 2.743 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597579589 565565289 /nfs/dbraw/zinc/56/52/89/565565289.db2.gz MVPCHQKTPDMXRT-KBPBESRZSA-N 1 1 386.221 2.616 20 5 GFBDMO Cc1ccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598597795 565628944 /nfs/dbraw/zinc/62/89/44/565628944.db2.gz IMMAHVNNMITRMD-CYBMUJFWSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1cccc2c(NCCNc3ccccc3[N+](=O)[O-])c(-c3nn[nH]n3)c[nH+]c12 ZINC000737410379 599122730 /nfs/dbraw/zinc/12/27/30/599122730.db2.gz SCSNLZYOCVYMMH-UHFFFAOYSA-N 1 1 390.407 2.577 20 5 GFBDMO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738368587 598760309 /nfs/dbraw/zinc/76/03/09/598760309.db2.gz FFVUKUCBAIYPGX-UHFFFAOYSA-N 1 1 397.414 2.626 20 5 GFBDMO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738368587 598760310 /nfs/dbraw/zinc/76/03/10/598760310.db2.gz FFVUKUCBAIYPGX-UHFFFAOYSA-N 1 1 397.414 2.626 20 5 GFBDMO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665794 606199211 /nfs/dbraw/zinc/19/92/11/606199211.db2.gz GTDHLXBJDKUVIQ-ZFWWWQNUSA-N 1 1 394.439 2.635 20 5 GFBDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827395777 660493373 /nfs/dbraw/zinc/49/33/73/660493373.db2.gz OBOOZOOZUWKDGG-AWEZNQCLSA-N 1 1 391.225 2.669 20 5 GFBDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827395777 660493375 /nfs/dbraw/zinc/49/33/75/660493375.db2.gz OBOOZOOZUWKDGG-AWEZNQCLSA-N 1 1 391.225 2.669 20 5 GFBDMO Cc1c(Br)cc(C(=O)OCC[NH+]2CCSCC2)cc1[N+](=O)[O-] ZINC000127762193 654834192 /nfs/dbraw/zinc/83/41/92/654834192.db2.gz ZYFFRHMFJJEMRG-UHFFFAOYSA-N 1 1 389.271 2.871 20 5 GFBDMO C[NH+]1CCC(N2CCC(Nc3ncc([N+](=O)[O-])cc3Br)CC2)CC1 ZINC000267229413 654919250 /nfs/dbraw/zinc/91/92/50/654919250.db2.gz KUQVNEBLEQWZTN-UHFFFAOYSA-N 1 1 398.305 2.723 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000271279537 655074099 /nfs/dbraw/zinc/07/40/99/655074099.db2.gz LSXHOILVRDYTCK-CYBMUJFWSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)ccc1Br ZINC000271279537 655074102 /nfs/dbraw/zinc/07/41/02/655074102.db2.gz LSXHOILVRDYTCK-CYBMUJFWSA-N 1 1 380.246 2.861 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000272571734 655116439 /nfs/dbraw/zinc/11/64/39/655116439.db2.gz FTNBBBMRBDPUHU-TVQRCGJNSA-N 1 1 386.221 2.663 20 5 GFBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000755008444 655878363 /nfs/dbraw/zinc/87/83/63/655878363.db2.gz MTJLFZDZAJGWLK-LLVKDONJSA-N 1 1 386.221 2.805 20 5 GFBDMO CCCn1cc[nH+]c1CCCN(C)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000762075153 656030306 /nfs/dbraw/zinc/03/03/06/656030306.db2.gz PCOWLSSFHIGIHY-UHFFFAOYSA-N 1 1 385.266 2.682 20 5 GFBDMO C[N@@H+](CCN1CCOC(C)(C)C1)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000789766153 657888656 /nfs/dbraw/zinc/88/86/56/657888656.db2.gz WCBJXVUZLNZAFD-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795858362 658861153 /nfs/dbraw/zinc/86/11/53/658861153.db2.gz WLVGWCZIFQRKKG-WDEREUQCSA-N 1 1 393.868 2.881 20 5 GFBDMO C[NH+](C)CC1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000795893318 658868635 /nfs/dbraw/zinc/86/86/35/658868635.db2.gz RJROUPKSINMQHM-UHFFFAOYSA-N 1 1 393.868 2.786 20 5 GFBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701191 659936460 /nfs/dbraw/zinc/93/64/60/659936460.db2.gz VHTNSRLHDPUHFS-STQMWFEESA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701191 659936462 /nfs/dbraw/zinc/93/64/62/659936462.db2.gz VHTNSRLHDPUHFS-STQMWFEESA-N 1 1 384.274 2.652 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c(Cl)cc1Cl ZINC000809809443 659940670 /nfs/dbraw/zinc/94/06/70/659940670.db2.gz XZCAIRDUTPZTLI-NWDGAFQWSA-N 1 1 394.280 2.807 20 5 GFBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813440756 660054234 /nfs/dbraw/zinc/05/42/34/660054234.db2.gz PMRZXHWLPFDHER-LLVKDONJSA-N 1 1 376.240 2.742 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000814988706 660100344 /nfs/dbraw/zinc/10/03/44/660100344.db2.gz SPXVPPDUXHGTID-MNOVXSKESA-N 1 1 393.868 2.786 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815018717 660101991 /nfs/dbraw/zinc/10/19/91/660101991.db2.gz YZMMGZGHDNXFRE-MFKMUULPSA-N 1 1 393.868 2.738 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000841546268 661295408 /nfs/dbraw/zinc/29/54/08/661295408.db2.gz KAOFEOWLODELLK-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO COc1ncncc1C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000843407794 661380134 /nfs/dbraw/zinc/38/01/34/661380134.db2.gz KINRIGSOGNCPDK-UHFFFAOYSA-N 1 1 379.214 2.714 20 5 GFBDMO COc1ncncc1C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000843407794 661380136 /nfs/dbraw/zinc/38/01/36/661380136.db2.gz KINRIGSOGNCPDK-UHFFFAOYSA-N 1 1 379.214 2.714 20 5 GFBDMO C[NH+]1CCN(C2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)CC1 ZINC000866212224 662464584 /nfs/dbraw/zinc/46/45/84/662464584.db2.gz PUMCVAJRZRJXRI-UHFFFAOYSA-N 1 1 383.290 2.574 20 5 GFBDMO CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C)C1 ZINC000889718532 663259757 /nfs/dbraw/zinc/25/97/57/663259757.db2.gz FKLSYULVVVQVGO-ZDUSSCGKSA-N 1 1 385.262 2.593 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000889725201 663261178 /nfs/dbraw/zinc/26/11/78/663261178.db2.gz MNCTYRRJJHYBME-LBPRGKRZSA-N 1 1 399.289 2.841 20 5 GFBDMO O=C(NC[C@H]1CCCC[N@@H+]1CCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880728 663623525 /nfs/dbraw/zinc/62/35/25/663623525.db2.gz MWGDFUKDCBQWEX-SECBINFHSA-N 1 1 394.230 2.617 20 5 GFBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncc(Br)cn2)n1 ZINC000903321219 663781633 /nfs/dbraw/zinc/78/16/33/663781633.db2.gz ZHCAVAFGEODHMU-NEPJUHHUSA-N 1 1 381.234 2.617 20 5 GFBDMO Cc1c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251825 664789241 /nfs/dbraw/zinc/78/92/41/664789241.db2.gz BOWOSHBOUNXWSM-QMTHXVAHSA-N 1 1 383.246 2.834 20 5 GFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164620464 719059515 /nfs/dbraw/zinc/05/95/15/719059515.db2.gz FFAYVAMSXYDUEN-VQIMIIECSA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806791 720071899 /nfs/dbraw/zinc/07/18/99/720071899.db2.gz DGWSPQAFRGJOKD-KDOFPFPSSA-N 1 1 380.876 2.828 20 5 GFBDMO CCOc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)ccc1[N+](=O)[O-] ZINC001164811137 720148270 /nfs/dbraw/zinc/14/82/70/720148270.db2.gz LRDDBGFEXCXZIZ-UZLBHIALSA-N 1 1 390.484 2.573 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818463 720192940 /nfs/dbraw/zinc/19/29/40/720192940.db2.gz SWAFUSXNRQZWBO-HRAATJIYSA-N 1 1 397.479 2.723 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867500 721047404 /nfs/dbraw/zinc/04/74/04/721047404.db2.gz JHZSVLWRNZPLNL-HOTGVXAUSA-N 1 1 389.843 2.518 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867503 721047647 /nfs/dbraw/zinc/04/76/47/721047647.db2.gz JHZSVLWRNZPLNL-JKSUJKDBSA-N 1 1 389.843 2.518 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1 ZINC001164763230 721182870 /nfs/dbraw/zinc/18/28/70/721182870.db2.gz DUEDFZDBPZUBJK-QZTJIDSGSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164806644 721538201 /nfs/dbraw/zinc/53/82/01/721538201.db2.gz POXQWTGXDPNLNU-ZIFCJYIRSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164806644 721538204 /nfs/dbraw/zinc/53/82/04/721538204.db2.gz POXQWTGXDPNLNU-ZIFCJYIRSA-N 1 1 383.452 2.561 20 5 GFBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935154 721888298 /nfs/dbraw/zinc/88/82/98/721888298.db2.gz WRMPSFQGLZTFDX-ZWKOTPCHSA-N 1 1 381.480 2.871 20 5 GFBDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935154 721888300 /nfs/dbraw/zinc/88/83/00/721888300.db2.gz WRMPSFQGLZTFDX-ZWKOTPCHSA-N 1 1 381.480 2.871 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000157276232 551536020 /nfs/dbraw/zinc/53/60/20/551536020.db2.gz JQMLCXAPBCMVLY-IAQYHMDHSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000173246067 552080766 /nfs/dbraw/zinc/08/07/66/552080766.db2.gz HPBPPBHJEXYSIB-IINYFYTJSA-N 1 1 375.878 2.517 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173954080 552095707 /nfs/dbraw/zinc/09/57/07/552095707.db2.gz VDGKAGASKLDCAK-CYBMUJFWSA-N 1 1 389.905 2.909 20 5 GFBDMO Cc1csc([C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000183529108 552311920 /nfs/dbraw/zinc/31/19/20/552311920.db2.gz SVOBBKXRWDJLOU-OAHLLOKOSA-N 1 1 381.479 2.874 20 5 GFBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000189799496 552480141 /nfs/dbraw/zinc/48/01/41/552480141.db2.gz UVRKLWTYJLHBAR-ZDUSSCGKSA-N 1 1 383.495 2.854 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@H](O)C3)o2)c(Br)c1 ZINC000294795591 563216985 /nfs/dbraw/zinc/21/69/85/563216985.db2.gz MJVHQCFVDKGLJK-GFCCVEGCSA-N 1 1 397.225 2.810 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@H](O)C3)o2)c(Br)c1 ZINC000294795591 563216989 /nfs/dbraw/zinc/21/69/89/563216989.db2.gz MJVHQCFVDKGLJK-GFCCVEGCSA-N 1 1 397.225 2.810 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370382289 563241637 /nfs/dbraw/zinc/24/16/37/563241637.db2.gz RNCGACWNYWYNJB-LRDDRELGSA-N 1 1 381.479 2.628 20 5 GFBDMO C[N@H+]1CCC[C@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000301207029 563396570 /nfs/dbraw/zinc/39/65/70/563396570.db2.gz PRMOQWFYMVDCCN-SNVBAGLBSA-N 1 1 381.376 2.642 20 5 GFBDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301933249 563416102 /nfs/dbraw/zinc/41/61/02/563416102.db2.gz PSIARAHUNGAAIJ-NSHDSACASA-N 1 1 380.246 2.945 20 5 GFBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000375915680 563423705 /nfs/dbraw/zinc/42/37/05/563423705.db2.gz ZNDWOTIBXZXELU-OAHLLOKOSA-N 1 1 398.257 2.939 20 5 GFBDMO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302690220 563428434 /nfs/dbraw/zinc/42/84/34/563428434.db2.gz RMLAQHNNNUPCHJ-GFCCVEGCSA-N 1 1 386.290 2.947 20 5 GFBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302690220 563428438 /nfs/dbraw/zinc/42/84/38/563428438.db2.gz RMLAQHNNNUPCHJ-GFCCVEGCSA-N 1 1 386.290 2.947 20 5 GFBDMO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000377703792 563483255 /nfs/dbraw/zinc/48/32/55/563483255.db2.gz QZJMOGGURMXXSW-UHFFFAOYSA-N 1 1 381.845 2.950 20 5 GFBDMO Cc1c(Br)c(NC2CCN(c3[nH+]ccn3C)CC2)ncc1[N+](=O)[O-] ZINC000428272602 563486791 /nfs/dbraw/zinc/48/67/91/563486791.db2.gz VOVZSWACXPJZKC-UHFFFAOYSA-N 1 1 395.261 2.875 20 5 GFBDMO COC[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289748897 563685932 /nfs/dbraw/zinc/68/59/32/563685932.db2.gz IULMDPQPJKDSAV-JTQLQIEISA-N 1 1 376.194 2.668 20 5 GFBDMO COC[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289748897 563685934 /nfs/dbraw/zinc/68/59/34/563685934.db2.gz IULMDPQPJKDSAV-JTQLQIEISA-N 1 1 376.194 2.668 20 5 GFBDMO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[C@H](O)CC1 ZINC000439305782 563722280 /nfs/dbraw/zinc/72/22/80/563722280.db2.gz WCXAAKRHOGEADU-UMSPYCQHSA-N 1 1 386.246 2.531 20 5 GFBDMO Nc1nccc([C@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000367212077 563836242 /nfs/dbraw/zinc/83/62/42/563836242.db2.gz HGOMLZHMHRLZJJ-LBPRGKRZSA-N 1 1 392.257 2.939 20 5 GFBDMO Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000367212077 563836243 /nfs/dbraw/zinc/83/62/43/563836243.db2.gz HGOMLZHMHRLZJJ-LBPRGKRZSA-N 1 1 392.257 2.939 20 5 GFBDMO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564387822 564231507 /nfs/dbraw/zinc/23/15/07/564231507.db2.gz QGCFUVNXIFHTMU-CYBMUJFWSA-N 1 1 390.221 2.935 20 5 GFBDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564387822 564231508 /nfs/dbraw/zinc/23/15/08/564231508.db2.gz QGCFUVNXIFHTMU-CYBMUJFWSA-N 1 1 390.221 2.935 20 5 GFBDMO Cc1c(Br)cc(-c2nc([C@H]3C[N@@H+](C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546505458 564457086 /nfs/dbraw/zinc/45/70/86/564457086.db2.gz YJMJFLROCSOFBU-CYBMUJFWSA-N 1 1 396.245 2.634 20 5 GFBDMO Cc1c(Br)cc(-c2nc([C@H]3C[N@H+](C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546505458 564457091 /nfs/dbraw/zinc/45/70/91/564457091.db2.gz YJMJFLROCSOFBU-CYBMUJFWSA-N 1 1 396.245 2.634 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C1CCCCC1 ZINC000520124735 564597746 /nfs/dbraw/zinc/59/77/46/564597746.db2.gz AWXSURUQODZHRL-UHFFFAOYSA-N 1 1 375.878 2.791 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000525387734 564700070 /nfs/dbraw/zinc/70/00/70/564700070.db2.gz JCBXXSRADCUVJA-NEPJUHHUSA-N 1 1 375.878 2.742 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000582368704 564843989 /nfs/dbraw/zinc/84/39/89/564843989.db2.gz PMZLWCCPCKGUSH-HNNXBMFYSA-N 1 1 384.274 2.654 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467798124 564973270 /nfs/dbraw/zinc/97/32/70/564973270.db2.gz LHCXQAVQCFGUFG-CYBMUJFWSA-N 1 1 387.889 2.601 20 5 GFBDMO Cc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)ncn1 ZINC000589315952 565161137 /nfs/dbraw/zinc/16/11/37/565161137.db2.gz RDNFEJSKWCECHQ-UHFFFAOYSA-N 1 1 384.177 2.588 20 5 GFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593188456 565318638 /nfs/dbraw/zinc/31/86/38/565318638.db2.gz HXHFNSAFYQFFNL-IJLUTSLNSA-N 1 1 384.274 2.839 20 5 GFBDMO C[NH+](C)[C@H]1C[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000594474583 565392091 /nfs/dbraw/zinc/39/20/91/565392091.db2.gz KIOAMSBYDYBZIN-WAAGHKOSSA-N 1 1 382.269 2.520 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597716732 565572182 /nfs/dbraw/zinc/57/21/82/565572182.db2.gz SVNYRFOYYGNJSJ-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO Cc1ccc(NCCCNC(=O)c2c(Br)cccc2[N+](=O)[O-])[nH+]c1 ZINC000599621566 565694167 /nfs/dbraw/zinc/69/41/67/565694167.db2.gz AYZZQXCIOVHHSO-UHFFFAOYSA-N 1 1 393.241 2.715 20 5 GFBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[NH+](CCCF)CC1 ZINC000600075418 565713113 /nfs/dbraw/zinc/71/31/13/565713113.db2.gz DKPRIMWDRIKYAS-UHFFFAOYSA-N 1 1 375.853 2.844 20 5 GFBDMO O=[N+]([O-])c1sc(C[NH2+]CCCCN2CCOCC2)cc1Br ZINC000602515510 565852951 /nfs/dbraw/zinc/85/29/51/565852951.db2.gz XEEKKERLHLTKFA-UHFFFAOYSA-N 1 1 378.292 2.621 20 5 GFBDMO CC1(C)[C@H](Nc2ncc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000603400490 565902722 /nfs/dbraw/zinc/90/27/22/565902722.db2.gz YMOKQEJUYGRKTF-OLZOCXBDSA-N 1 1 385.262 2.664 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000603640467 565912647 /nfs/dbraw/zinc/91/26/47/565912647.db2.gz DOKHJHRYFZCXOH-VXGBXAGGSA-N 1 1 375.878 2.789 20 5 GFBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000738360324 598944813 /nfs/dbraw/zinc/94/48/13/598944813.db2.gz VPHMMAQGSBKNFW-MRXNPFEDSA-N 1 1 379.424 2.851 20 5 GFBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)cc1 ZINC000823643759 599591671 /nfs/dbraw/zinc/59/16/71/599591671.db2.gz ALYKKVVWVDPSIV-UHFFFAOYSA-N 1 1 398.398 2.957 20 5 GFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607582 606850706 /nfs/dbraw/zinc/85/07/06/606850706.db2.gz VCJCGIQPVZPBNB-INIZCTEOSA-N 1 1 388.815 2.594 20 5 GFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607582 606850707 /nfs/dbraw/zinc/85/07/07/606850707.db2.gz VCJCGIQPVZPBNB-INIZCTEOSA-N 1 1 388.815 2.594 20 5 GFBDMO Cc1ccc(CNc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c(N2CCCC2)[nH+]1 ZINC000826288755 609313501 /nfs/dbraw/zinc/31/35/01/609313501.db2.gz VIQAIVSMTNAIGM-UHFFFAOYSA-N 1 1 380.412 2.691 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000123930736 654765997 /nfs/dbraw/zinc/76/59/97/654765997.db2.gz LLQXNCVIHNDGFH-NSHDSACASA-N 1 1 395.257 2.857 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000124377924 654775534 /nfs/dbraw/zinc/77/55/34/654775534.db2.gz HJPTYXHPYFAIOE-ZDUSSCGKSA-N 1 1 389.905 2.909 20 5 GFBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000057704828 654808540 /nfs/dbraw/zinc/80/85/40/654808540.db2.gz UAEYEZZHBVRNEJ-AWEZNQCLSA-N 1 1 381.479 2.772 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266320515 654871838 /nfs/dbraw/zinc/87/18/38/654871838.db2.gz QZOOPPPQRFTARZ-LBPRGKRZSA-N 1 1 375.878 2.601 20 5 GFBDMO O=C(c1cc(F)cc([N+](=O)[O-])c1Br)N1CC[NH+](CC2CC2)CC1 ZINC000267949468 654953692 /nfs/dbraw/zinc/95/36/92/654953692.db2.gz PZCRTHXGJCEYNL-UHFFFAOYSA-N 1 1 386.221 2.664 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000269001218 654994679 /nfs/dbraw/zinc/99/46/79/654994679.db2.gz PDHMLSAUVNDUQG-FZMZJTMJSA-N 1 1 382.258 2.914 20 5 GFBDMO CC(C)OCC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839502943 661088230 /nfs/dbraw/zinc/08/82/30/661088230.db2.gz DTHUQKUCZGOBFM-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO COC(=O)C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCCOC1 ZINC000839561468 661092065 /nfs/dbraw/zinc/09/20/65/661092065.db2.gz SOCMTCOWNAACLV-HNNXBMFYSA-N 1 1 387.230 2.559 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000176084416 655234653 /nfs/dbraw/zinc/23/46/53/655234653.db2.gz IJZMKYBRXJYNKY-CQSZACIVSA-N 1 1 382.258 2.597 20 5 GFBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839573482 661092916 /nfs/dbraw/zinc/09/29/16/661092916.db2.gz BALYTFXNGYMDDO-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000292819435 655354827 /nfs/dbraw/zinc/35/48/27/655354827.db2.gz NVBZZSQCEOIPCI-MRXNPFEDSA-N 1 1 387.889 2.663 20 5 GFBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000293148187 655359326 /nfs/dbraw/zinc/35/93/26/655359326.db2.gz DLHLPDZSZJIPST-JKSUJKDBSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000725822602 655527047 /nfs/dbraw/zinc/52/70/47/655527047.db2.gz HUIHPOXTXLIVTJ-NEPJUHHUSA-N 1 1 375.878 2.789 20 5 GFBDMO COc1c(Br)c([N+](=O)[O-])c(NCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000732568025 655598084 /nfs/dbraw/zinc/59/80/84/655598084.db2.gz YOESOAHQXIYNFU-UHFFFAOYSA-N 1 1 389.206 2.780 20 5 GFBDMO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000734835296 655635022 /nfs/dbraw/zinc/63/50/22/655635022.db2.gz SHFFELVMJYHDTB-UHFFFAOYSA-N 1 1 381.845 2.950 20 5 GFBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](C3CC3)CC2)cc1Br ZINC000735917787 655655045 /nfs/dbraw/zinc/65/50/45/655655045.db2.gz SABJMPCEMJMSSA-UHFFFAOYSA-N 1 1 398.257 2.818 20 5 GFBDMO CN([C@@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768859594 656256869 /nfs/dbraw/zinc/25/68/69/656256869.db2.gz YJPNDUPQRIMPLR-CQSZACIVSA-N 1 1 381.479 2.551 20 5 GFBDMO CN([C@@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768859594 656256875 /nfs/dbraw/zinc/25/68/75/656256875.db2.gz YJPNDUPQRIMPLR-CQSZACIVSA-N 1 1 381.479 2.551 20 5 GFBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421499 658094910 /nfs/dbraw/zinc/09/49/10/658094910.db2.gz NLBZHMPPBIYKPE-SECBINFHSA-N 1 1 384.285 2.910 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@@H]2C1 ZINC000793927113 658458361 /nfs/dbraw/zinc/45/83/61/658458361.db2.gz GRAQFEZOMUVODK-ZJUUUORDSA-N 1 1 386.221 2.520 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815020267 660102457 /nfs/dbraw/zinc/10/24/57/660102457.db2.gz WAUZTDLLGJESGQ-WDEREUQCSA-N 1 1 393.868 2.881 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000841550481 661296847 /nfs/dbraw/zinc/29/68/47/661296847.db2.gz XJKJPHBZAIIKPD-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3cnnc3)CC2)ccc1Br ZINC000844412214 661420146 /nfs/dbraw/zinc/42/01/46/661420146.db2.gz NIOYIMCUBRFILJ-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO CC[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000853684393 661897210 /nfs/dbraw/zinc/89/72/10/661897210.db2.gz ADLJJKFZOGGQQT-NSHDSACASA-N 1 1 377.413 2.512 20 5 GFBDMO CC[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000853684393 661897212 /nfs/dbraw/zinc/89/72/12/661897212.db2.gz ADLJJKFZOGGQQT-NSHDSACASA-N 1 1 377.413 2.512 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000856257028 662027200 /nfs/dbraw/zinc/02/72/00/662027200.db2.gz RPQFORAVALXFDI-LBPRGKRZSA-N 1 1 388.251 2.573 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000863920111 662349757 /nfs/dbraw/zinc/34/97/57/662349757.db2.gz CWGVZLWJSYQHQQ-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865048662 662396167 /nfs/dbraw/zinc/39/61/67/662396167.db2.gz ZTRAJROEVZLGOP-CYBMUJFWSA-N 1 1 384.274 2.748 20 5 GFBDMO O=C1CC[C@H]([NH+]2CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000865860453 662447746 /nfs/dbraw/zinc/44/77/46/662447746.db2.gz IKCAPUDWMZMVEB-NSHDSACASA-N 1 1 387.267 2.692 20 5 GFBDMO Cc1c(Br)c(N(C)CC[NH+]2CC3(C2)CCOCC3)ncc1[N+](=O)[O-] ZINC000866257368 662465905 /nfs/dbraw/zinc/46/59/05/662465905.db2.gz GJEUOKWSUOQMKD-UHFFFAOYSA-N 1 1 399.289 2.609 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866709935 662491093 /nfs/dbraw/zinc/49/10/93/662491093.db2.gz NMFVMGWDIVRYMS-ZFWWWQNUSA-N 1 1 396.285 2.843 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839567 662838110 /nfs/dbraw/zinc/83/81/10/662838110.db2.gz WYYVOKJDUSIWGG-VXGBXAGGSA-N 1 1 386.221 2.805 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839565 662838176 /nfs/dbraw/zinc/83/81/76/662838176.db2.gz WYYVOKJDUSIWGG-NWDGAFQWSA-N 1 1 386.221 2.805 20 5 GFBDMO Cc1[nH+]ccn1CCCC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000881864712 663006883 /nfs/dbraw/zinc/00/68/83/663006883.db2.gz YQGMPTAUKUAYDN-UHFFFAOYSA-N 1 1 381.230 2.959 20 5 GFBDMO C[C@@H]1C[C@@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000883456803 663055402 /nfs/dbraw/zinc/05/54/02/663055402.db2.gz JPKJFOLSMUBOHG-MFKMUULPSA-N 1 1 385.262 2.639 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000892596198 663378264 /nfs/dbraw/zinc/37/82/64/663378264.db2.gz FIZVIEHDRHERFG-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000897219743 663595194 /nfs/dbraw/zinc/59/51/94/663595194.db2.gz NOHJSBVHOURSGW-CHWSQXEVSA-N 1 1 388.237 2.532 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933054219 664848218 /nfs/dbraw/zinc/84/82/18/664848218.db2.gz HCXIQBIIYZDAEJ-AWEZNQCLSA-N 1 1 385.258 2.863 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000933366324 664860603 /nfs/dbraw/zinc/86/06/03/664860603.db2.gz BERBEQJWXDBJAI-CMPLNLGQSA-N 1 1 399.289 2.884 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000933437756 664863958 /nfs/dbraw/zinc/86/39/58/664863958.db2.gz FWIAVKFYRUZYDG-GXFFZTMASA-N 1 1 399.289 2.742 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164618477 719068340 /nfs/dbraw/zinc/06/83/40/719068340.db2.gz AUVMREUGGDZNMZ-QAPCUYQASA-N 1 1 383.408 2.999 20 5 GFBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837889 720509239 /nfs/dbraw/zinc/50/92/39/720509239.db2.gz QLVLKENBPBKETP-YQVWRLOYSA-N 1 1 384.484 2.873 20 5 GFBDMO Cc1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840574 720520133 /nfs/dbraw/zinc/52/01/33/720520133.db2.gz WJQFHHVQEYLUIG-FGTMMUONSA-N 1 1 384.484 2.873 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164770899 721298499 /nfs/dbraw/zinc/29/84/99/721298499.db2.gz XCUUNLVLLKVRAB-UHFFFAOYSA-N 1 1 391.781 2.979 20 5 GFBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164792946 721496390 /nfs/dbraw/zinc/49/63/90/721496390.db2.gz VWCORTBUFSHBQN-UHFFFAOYSA-N 1 1 382.468 2.848 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164806641 721538080 /nfs/dbraw/zinc/53/80/80/721538080.db2.gz POXQWTGXDPNLNU-AOIWGVFYSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-] ZINC001164806641 721538084 /nfs/dbraw/zinc/53/80/84/721538084.db2.gz POXQWTGXDPNLNU-AOIWGVFYSA-N 1 1 383.452 2.561 20 5 GFBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1N)C2 ZINC001164912173 721759577 /nfs/dbraw/zinc/75/95/77/721759577.db2.gz UPULOEVAAKUPEJ-UHFFFAOYSA-N 1 1 394.435 2.755 20 5 GFBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ncc([N+](=O)[O-])cc1N)C2 ZINC001164912173 721759580 /nfs/dbraw/zinc/75/95/80/721759580.db2.gz UPULOEVAAKUPEJ-UHFFFAOYSA-N 1 1 394.435 2.755 20 5 GFBDMO COc1ncnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165026864 721812268 /nfs/dbraw/zinc/81/22/68/721812268.db2.gz RUUJNSBURIFOKC-BHYGNILZSA-N 1 1 398.467 2.525 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122400083 551297517 /nfs/dbraw/zinc/29/75/17/551297517.db2.gz HBZAUZNCFMGFML-OCCSQVGLSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@H+]1C1CC1 ZINC000127563713 551342073 /nfs/dbraw/zinc/34/20/73/551342073.db2.gz MPFPOYJDHSPWNU-ZYHUDNBSSA-N 1 1 382.258 2.641 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000164072325 551623905 /nfs/dbraw/zinc/62/39/05/551623905.db2.gz COBJBFIJPIUEHK-TZMCWYRMSA-N 1 1 382.258 2.914 20 5 GFBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000295200325 563234953 /nfs/dbraw/zinc/23/49/53/563234953.db2.gz SKQPYNRFKVCPKT-JOYOIKCWSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000295200325 563234956 /nfs/dbraw/zinc/23/49/56/563234956.db2.gz SKQPYNRFKVCPKT-JOYOIKCWSA-N 1 1 394.280 2.616 20 5 GFBDMO C[C@@H]1CN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000295233228 563237799 /nfs/dbraw/zinc/23/77/99/563237799.db2.gz BWACTJBCPJVLLH-NSHDSACASA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992154 563418214 /nfs/dbraw/zinc/41/82/14/563418214.db2.gz QGGBKTCIUABNJD-TUAOUCFPSA-N 1 1 375.516 2.838 20 5 GFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992154 563418218 /nfs/dbraw/zinc/41/82/18/563418218.db2.gz QGGBKTCIUABNJD-TUAOUCFPSA-N 1 1 375.516 2.838 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@H]21 ZINC000376729791 563452155 /nfs/dbraw/zinc/45/21/55/563452155.db2.gz STWQBZUJRSBWNJ-TVQRCGJNSA-N 1 1 386.221 2.663 20 5 GFBDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000330563119 563510979 /nfs/dbraw/zinc/51/09/79/563510979.db2.gz JURMAPWUJLTJGZ-NEPJUHHUSA-N 1 1 399.289 2.710 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000408001174 563541380 /nfs/dbraw/zinc/54/13/80/563541380.db2.gz AVIAMLCLYAENOC-PWSUYJOCSA-N 1 1 382.258 2.974 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331581261 563553461 /nfs/dbraw/zinc/55/34/61/563553461.db2.gz WPYTZOQNSXGLJK-RFAUZJTJSA-N 1 1 382.258 2.878 20 5 GFBDMO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365539519 563786017 /nfs/dbraw/zinc/78/60/17/563786017.db2.gz PZRFOVKVSAYLHG-KCQAQPDRSA-N 1 1 394.269 2.914 20 5 GFBDMO COCC[N@@H+](C)CCCNc1c2cc(Br)ccc2ncc1[N+](=O)[O-] ZINC000443449745 563805778 /nfs/dbraw/zinc/80/57/78/563805778.db2.gz UDWNPYOWVAJPBW-UHFFFAOYSA-N 1 1 397.273 2.708 20 5 GFBDMO CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416480814 563835872 /nfs/dbraw/zinc/83/58/72/563835872.db2.gz AQSNTXGBXNQBAW-SNVBAGLBSA-N 1 1 383.392 2.621 20 5 GFBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543121 563848091 /nfs/dbraw/zinc/84/80/91/563848091.db2.gz XWPVFFUTEDHDLG-OCCSQVGLSA-N 1 1 382.258 2.848 20 5 GFBDMO C[C@@H]([N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1)C(C)(C)O ZINC000570038933 564488588 /nfs/dbraw/zinc/48/85/88/564488588.db2.gz JEQIHUBNDZZRJZ-SECBINFHSA-N 1 1 378.210 2.791 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC000517952046 564543779 /nfs/dbraw/zinc/54/37/79/564543779.db2.gz BHNCJDHTAXGJLG-NSHDSACASA-N 1 1 390.221 2.794 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@H](CO)CC2)c1 ZINC000517952046 564543786 /nfs/dbraw/zinc/54/37/86/564543786.db2.gz BHNCJDHTAXGJLG-NSHDSACASA-N 1 1 390.221 2.794 20 5 GFBDMO O=[N+]([O-])c1cc(I)ccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000548614337 564567241 /nfs/dbraw/zinc/56/72/41/564567241.db2.gz AGDJDFBVXOXKAJ-JTQLQIEISA-N 1 1 384.177 2.823 20 5 GFBDMO CC(C)[C@H]1CN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000487953348 564699663 /nfs/dbraw/zinc/69/96/63/564699663.db2.gz KFUWVKXNRGQHNM-OAHLLOKOSA-N 1 1 399.289 2.568 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000525387739 564699749 /nfs/dbraw/zinc/69/97/49/564699749.db2.gz JCBXXSRADCUVJA-RYUDHWBXSA-N 1 1 375.878 2.742 20 5 GFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCn1cc(Br)cn1 ZINC000581393383 564800829 /nfs/dbraw/zinc/80/08/29/564800829.db2.gz PGLAPWSRIZVPGD-LLVKDONJSA-N 1 1 396.245 2.513 20 5 GFBDMO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000581393383 564800834 /nfs/dbraw/zinc/80/08/34/564800834.db2.gz PGLAPWSRIZVPGD-LLVKDONJSA-N 1 1 396.245 2.513 20 5 GFBDMO CC[N@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC(F)(F)F ZINC000494397228 564828007 /nfs/dbraw/zinc/82/80/07/564828007.db2.gz ZKPJJVMUOMBNCM-UHFFFAOYSA-N 1 1 389.421 2.517 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)CCC(F)(F)F ZINC000494397228 564828011 /nfs/dbraw/zinc/82/80/11/564828011.db2.gz ZKPJJVMUOMBNCM-UHFFFAOYSA-N 1 1 389.421 2.517 20 5 GFBDMO CN(CC[N@@H+](C)C1CC1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000558460329 564901950 /nfs/dbraw/zinc/90/19/50/564901950.db2.gz XRQRGYXRKZLGNN-UHFFFAOYSA-N 1 1 389.237 2.725 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000536523002 565039302 /nfs/dbraw/zinc/03/93/02/565039302.db2.gz UHBFULZADXUMEP-OAHLLOKOSA-N 1 1 394.225 2.552 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+](CCCO)C2CC2)c1 ZINC000589254329 565157703 /nfs/dbraw/zinc/15/77/03/565157703.db2.gz SIEIKQMNLDJHEU-UHFFFAOYSA-N 1 1 376.194 2.546 20 5 GFBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593130191 565315617 /nfs/dbraw/zinc/31/56/17/565315617.db2.gz IGRDYXRVLWWESK-UONOGXRCSA-N 1 1 383.242 2.988 20 5 GFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593130191 565315620 /nfs/dbraw/zinc/31/56/20/565315620.db2.gz IGRDYXRVLWWESK-UONOGXRCSA-N 1 1 383.242 2.988 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789686 565421349 /nfs/dbraw/zinc/42/13/49/565421349.db2.gz KBVNFTNQQRKIDE-NSHDSACASA-N 1 1 375.878 2.647 20 5 GFBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597584055 565565157 /nfs/dbraw/zinc/56/51/57/565565157.db2.gz XDKWDJQXAHTROJ-CHWSQXEVSA-N 1 1 386.221 2.616 20 5 GFBDMO O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493002 565851053 /nfs/dbraw/zinc/85/10/53/565851053.db2.gz GOGKOTVRORWJTD-BXKDBHETSA-N 1 1 388.287 2.909 20 5 GFBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493002 565851056 /nfs/dbraw/zinc/85/10/56/565851056.db2.gz GOGKOTVRORWJTD-BXKDBHETSA-N 1 1 388.287 2.909 20 5 GFBDMO O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493004 565852907 /nfs/dbraw/zinc/85/29/07/565852907.db2.gz GOGKOTVRORWJTD-JOYOIKCWSA-N 1 1 388.287 2.909 20 5 GFBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493004 565852912 /nfs/dbraw/zinc/85/29/12/565852912.db2.gz GOGKOTVRORWJTD-JOYOIKCWSA-N 1 1 388.287 2.909 20 5 GFBDMO O=C(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)NCCc1ccccc1 ZINC000602536670 565853609 /nfs/dbraw/zinc/85/36/09/565853609.db2.gz JBDVVVBYUFTLJL-UHFFFAOYSA-N 1 1 398.282 2.867 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000603975472 565920410 /nfs/dbraw/zinc/92/04/10/565920410.db2.gz CHRZBWHUKZILKM-RYUDHWBXSA-N 1 1 375.878 2.789 20 5 GFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736201886 598252519 /nfs/dbraw/zinc/25/25/19/598252519.db2.gz ISMVZBLIMDKCIG-CQSZACIVSA-N 1 1 379.424 2.658 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1Br ZINC000824655398 660398780 /nfs/dbraw/zinc/39/87/80/660398780.db2.gz WGRUDJDZYUENMK-NFAWXSAZSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)ccc1Br ZINC000824655398 660398781 /nfs/dbraw/zinc/39/87/81/660398781.db2.gz WGRUDJDZYUENMK-NFAWXSAZSA-N 1 1 385.258 2.719 20 5 GFBDMO O=C1CC[C@@H]([NH+]2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000829352480 660590229 /nfs/dbraw/zinc/59/02/29/660590229.db2.gz NSXCDUDENJRNMP-LLVKDONJSA-N 1 1 387.267 2.692 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1Cl ZINC000830002432 660629394 /nfs/dbraw/zinc/62/93/94/660629394.db2.gz KDUPTIGFECWDMO-GHMZBOCLSA-N 1 1 394.280 2.807 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000266320512 654871833 /nfs/dbraw/zinc/87/18/33/654871833.db2.gz QZOOPPPQRFTARZ-GFCCVEGCSA-N 1 1 375.878 2.601 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000269317790 655005692 /nfs/dbraw/zinc/00/56/92/655005692.db2.gz XZUIXAIUTJADFW-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000271412468 655080292 /nfs/dbraw/zinc/08/02/92/655080292.db2.gz PVXHMUOOIOIREJ-DGCLKSJQSA-N 1 1 385.511 2.513 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000271412468 655080298 /nfs/dbraw/zinc/08/02/98/655080298.db2.gz PVXHMUOOIOIREJ-DGCLKSJQSA-N 1 1 385.511 2.513 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)cs1 ZINC000120118765 655328257 /nfs/dbraw/zinc/32/82/57/655328257.db2.gz DBKWMZKYSLZTJI-ZDUSSCGKSA-N 1 1 379.463 2.830 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522381 655351968 /nfs/dbraw/zinc/35/19/68/655351968.db2.gz WKJXTEFRBHZQKK-GDBMZVCRSA-N 1 1 382.873 2.672 20 5 GFBDMO C[N@H+]1CCC[C@@H](NC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000749568748 655805881 /nfs/dbraw/zinc/80/58/81/655805881.db2.gz SKYOTBRICBTTOQ-SECBINFHSA-N 1 1 376.638 2.835 20 5 GFBDMO O=[N+]([O-])c1nn(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1Br ZINC000753099684 655850478 /nfs/dbraw/zinc/85/04/78/655850478.db2.gz GYLHPAMEQACKOJ-CQSZACIVSA-N 1 1 395.257 2.845 20 5 GFBDMO O=[N+]([O-])c1nn(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)cc1Br ZINC000753099684 655850480 /nfs/dbraw/zinc/85/04/80/655850480.db2.gz GYLHPAMEQACKOJ-CQSZACIVSA-N 1 1 395.257 2.845 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000762280838 656037990 /nfs/dbraw/zinc/03/79/90/656037990.db2.gz VUSXYPZCVZLBRW-LLVKDONJSA-N 1 1 375.878 2.567 20 5 GFBDMO CC(C)[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000840950271 661216932 /nfs/dbraw/zinc/21/69/32/661216932.db2.gz GOQUMSBYXWHGBL-UHFFFAOYSA-N 1 1 383.495 2.975 20 5 GFBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770380003 656317956 /nfs/dbraw/zinc/31/79/56/656317956.db2.gz MLHUUOAKWXJVAD-RISCZKNCSA-N 1 1 382.258 2.848 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000841526960 661290754 /nfs/dbraw/zinc/29/07/54/661290754.db2.gz FUUKNVOOJKDCST-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000783702630 657252477 /nfs/dbraw/zinc/25/24/77/657252477.db2.gz XIRYTRRNMZQUGW-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000784706444 657322886 /nfs/dbraw/zinc/32/28/86/657322886.db2.gz DBPXEUWKPAKGFB-LBPRGKRZSA-N 1 1 375.878 2.708 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719544 657323853 /nfs/dbraw/zinc/32/38/53/657323853.db2.gz CBGSBJMMZARICT-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000809733697 659937415 /nfs/dbraw/zinc/93/74/15/659937415.db2.gz DPICDUGGRFMWSS-UHFFFAOYSA-N 1 1 381.845 2.950 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[N@@H+](C)C1CC1 ZINC000809814527 659941261 /nfs/dbraw/zinc/94/12/61/659941261.db2.gz PFTFKFVSFAPLGB-QMMMGPOBSA-N 1 1 382.269 2.663 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000864883450 662389469 /nfs/dbraw/zinc/38/94/69/662389469.db2.gz AAUGYPNZPGDTCZ-ZIAGYGMSSA-N 1 1 382.258 2.643 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874833454 662837877 /nfs/dbraw/zinc/83/78/77/662837877.db2.gz NBGVBAMHFFSCFH-ZIAGYGMSSA-N 1 1 382.258 2.974 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000878691576 662902707 /nfs/dbraw/zinc/90/27/07/662902707.db2.gz PEUVXMRNFSVFLN-CQSZACIVSA-N 1 1 383.246 2.528 20 5 GFBDMO CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000882489894 663029059 /nfs/dbraw/zinc/02/90/59/663029059.db2.gz WKPGTQDNFJCCEK-SECBINFHSA-N 1 1 376.638 2.835 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000933053256 664848194 /nfs/dbraw/zinc/84/81/94/664848194.db2.gz PFRCKBCMFRZAIL-AWEZNQCLSA-N 1 1 385.258 2.863 20 5 GFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164624368 719080818 /nfs/dbraw/zinc/08/08/18/719080818.db2.gz LKUBNAYIWWUZFL-NVXWUHKLSA-N 1 1 388.855 2.982 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630156 719087451 /nfs/dbraw/zinc/08/74/51/719087451.db2.gz VQBIXOXRPNTEIJ-WBVHZDCISA-N 1 1 388.855 2.982 20 5 GFBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)CC2 ZINC001164650138 719312219 /nfs/dbraw/zinc/31/22/19/719312219.db2.gz UJFXTUVBSBHBJE-UHFFFAOYSA-N 1 1 383.456 2.873 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812264 720073470 /nfs/dbraw/zinc/07/34/70/720073470.db2.gz QBGDZHQYHUKYDK-RDTXWAMCSA-N 1 1 380.876 2.828 20 5 GFBDMO Cc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164836992 720722425 /nfs/dbraw/zinc/72/24/25/720722425.db2.gz CMDPACPRNSFPSP-SFHVURJKSA-N 1 1 397.479 2.953 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@H]3C2)cn1 ZINC001164762110 721115930 /nfs/dbraw/zinc/11/59/30/721115930.db2.gz BYAMSYIXXAHPNX-DLBZAZTESA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164795818 721527972 /nfs/dbraw/zinc/52/79/72/721527972.db2.gz SNJCNSVZIHOPII-NEWSRXKRSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164795818 721527978 /nfs/dbraw/zinc/52/79/78/721527978.db2.gz SNJCNSVZIHOPII-NEWSRXKRSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982516 722124679 /nfs/dbraw/zinc/12/46/79/722124679.db2.gz WVKOIBBBNUAFOY-RTBURBONSA-N 1 1 397.479 2.729 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)cc1 ZINC000359978409 209208701 /nfs/dbraw/zinc/20/87/01/209208701.db2.gz ZTAUQSFCAGYBFF-HUUCEWRRSA-N 1 1 378.812 2.968 20 5 GFBDMO C[NH+]1CCN([C@@H]2CCCCN(c3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000127037989 551335971 /nfs/dbraw/zinc/33/59/71/551335971.db2.gz RKLZHLCFZSVHOD-OAHLLOKOSA-N 1 1 397.317 2.964 20 5 GFBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163313614 551618419 /nfs/dbraw/zinc/61/84/19/551618419.db2.gz VAVNLGBMAOXPCF-JTQLQIEISA-N 1 1 383.392 2.622 20 5 GFBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000183730759 552318028 /nfs/dbraw/zinc/31/80/28/552318028.db2.gz HOYYFHVEXBGRLD-UHFFFAOYSA-N 1 1 386.861 2.820 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000237698991 553080353 /nfs/dbraw/zinc/08/03/53/553080353.db2.gz MDSMZFSXMMIIDY-VIFPVBQESA-N 1 1 382.269 2.570 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246165001 553103321 /nfs/dbraw/zinc/10/33/21/553103321.db2.gz MCMJQCIIGFPDAZ-WCQYABFASA-N 1 1 375.878 2.599 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248197922 553128432 /nfs/dbraw/zinc/12/84/32/553128432.db2.gz XRKBWHMZCOEPHM-XHDPSFHLSA-N 1 1 382.258 2.914 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000369783782 563224787 /nfs/dbraw/zinc/22/47/87/563224787.db2.gz WSDLUPYBHXCDNN-HZPDHXFCSA-N 1 1 395.257 2.752 20 5 GFBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420763702 563284820 /nfs/dbraw/zinc/28/48/20/563284820.db2.gz JOWXIXFPRZDKHD-JTQLQIEISA-N 1 1 382.269 2.616 20 5 GFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC=C(Br)C1 ZINC000281572681 563379958 /nfs/dbraw/zinc/37/99/58/563379958.db2.gz FDNIYAZTNDYSIM-UHFFFAOYSA-N 1 1 384.230 2.917 20 5 GFBDMO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(Br)C1 ZINC000281572681 563379960 /nfs/dbraw/zinc/37/99/60/563379960.db2.gz FDNIYAZTNDYSIM-UHFFFAOYSA-N 1 1 384.230 2.917 20 5 GFBDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000299584424 563387338 /nfs/dbraw/zinc/38/73/38/563387338.db2.gz DPDNLOFALRNAMC-CYBMUJFWSA-N 1 1 378.738 2.521 20 5 GFBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301214504 563396530 /nfs/dbraw/zinc/39/65/30/563396530.db2.gz ZCWGJDFUMJVEJG-HNNXBMFYSA-N 1 1 397.317 2.964 20 5 GFBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NCCNc2cc[nH+]c3ccsc32)c1 ZINC000301338672 563400954 /nfs/dbraw/zinc/40/09/54/563400954.db2.gz DRDGCSTZEVXUNH-UHFFFAOYSA-N 1 1 378.435 2.595 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425065130 563402626 /nfs/dbraw/zinc/40/26/26/563402626.db2.gz KEOZQEAVOFKUHE-XHDPSFHLSA-N 1 1 382.258 2.832 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000375388144 563402777 /nfs/dbraw/zinc/40/27/77/563402777.db2.gz PIYRVBJAWLSWCI-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000301930884 563415994 /nfs/dbraw/zinc/41/59/94/563415994.db2.gz LFKWGTKEHHHCSI-TXEJJXNPSA-N 1 1 375.516 2.840 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000332234152 563585687 /nfs/dbraw/zinc/58/56/87/563585687.db2.gz QFZDPFXHFANNCL-GFCCVEGCSA-N 1 1 375.878 2.661 20 5 GFBDMO C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000289824494 563688107 /nfs/dbraw/zinc/68/81/07/563688107.db2.gz OHAUIYPQWXOZLH-IUODEOHRSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000290979198 563728520 /nfs/dbraw/zinc/72/85/20/563728520.db2.gz YJQLIVYSQPBQKQ-LBPRGKRZSA-N 1 1 375.300 2.875 20 5 GFBDMO CCN1CC[NH+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291406598 563742555 /nfs/dbraw/zinc/74/25/55/563742555.db2.gz FEENLUKGHGHUJN-UHFFFAOYSA-N 1 1 389.283 2.659 20 5 GFBDMO CC[N@@H+](CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000472238072 564217374 /nfs/dbraw/zinc/21/73/74/564217374.db2.gz FQPSZHAITHHONX-UHFFFAOYSA-N 1 1 383.246 2.955 20 5 GFBDMO O=c1c(Br)cc([N+](=O)[O-])cn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000474349085 564275407 /nfs/dbraw/zinc/27/54/07/564275407.db2.gz GJYFDFKYEVGPOG-UHFFFAOYSA-N 1 1 389.209 2.812 20 5 GFBDMO CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480696033 564482251 /nfs/dbraw/zinc/48/22/51/564482251.db2.gz VRMFSNGGYPYKJD-SECBINFHSA-N 1 1 384.285 2.910 20 5 GFBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412033 564593341 /nfs/dbraw/zinc/59/33/41/564593341.db2.gz PGRIIRDRHJDLGL-GWCFXTLKSA-N 1 1 390.221 2.935 20 5 GFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412033 564593344 /nfs/dbraw/zinc/59/33/44/564593344.db2.gz PGRIIRDRHJDLGL-GWCFXTLKSA-N 1 1 390.221 2.935 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000486603981 564658130 /nfs/dbraw/zinc/65/81/30/564658130.db2.gz KTPQFLOPHXQLEH-RNCFNFMXSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000486603981 564658134 /nfs/dbraw/zinc/65/81/34/564658134.db2.gz KTPQFLOPHXQLEH-RNCFNFMXSA-N 1 1 394.280 2.616 20 5 GFBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000524264937 564679078 /nfs/dbraw/zinc/67/90/78/564679078.db2.gz JJOKWIAXAFGSOF-CQSZACIVSA-N 1 1 399.289 2.712 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000458225781 564694748 /nfs/dbraw/zinc/69/47/48/564694748.db2.gz SBEQXEKFJDDMFF-LBPRGKRZSA-N 1 1 384.274 2.748 20 5 GFBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462146541 564823698 /nfs/dbraw/zinc/82/36/98/564823698.db2.gz OHJFDVQXUZPWMU-LLVKDONJSA-N 1 1 394.280 2.759 20 5 GFBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462146541 564823702 /nfs/dbraw/zinc/82/37/02/564823702.db2.gz OHJFDVQXUZPWMU-LLVKDONJSA-N 1 1 394.280 2.759 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356505 564835271 /nfs/dbraw/zinc/83/52/71/564835271.db2.gz IAEWUKGDNUHUIW-CABZTGNLSA-N 1 1 396.296 2.862 20 5 GFBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1COC[C@H]1O ZINC000589188697 565155033 /nfs/dbraw/zinc/15/50/33/565155033.db2.gz HIEDQZPMTKTJMT-HUUCEWRRSA-N 1 1 397.225 2.809 20 5 GFBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596111224 565514058 /nfs/dbraw/zinc/51/40/58/565514058.db2.gz YDXPNNADQXGICA-CQSZACIVSA-N 1 1 399.289 2.712 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597577432 565565110 /nfs/dbraw/zinc/56/51/10/565565110.db2.gz GHWPQOUWOWRUGV-ZIAGYGMSSA-N 1 1 386.221 2.616 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000597579593 565565144 /nfs/dbraw/zinc/56/51/44/565565144.db2.gz MVPCHQKTPDMXRT-ZIAGYGMSSA-N 1 1 386.221 2.616 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714842 565571832 /nfs/dbraw/zinc/57/18/32/565571832.db2.gz KDMAYWQHCGDHDW-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000603975470 565920768 /nfs/dbraw/zinc/92/07/68/565920768.db2.gz CHRZBWHUKZILKM-NEPJUHHUSA-N 1 1 375.878 2.789 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000610135167 566068300 /nfs/dbraw/zinc/06/83/00/566068300.db2.gz LWFGSBSDSAUNPN-YPMHNXCESA-N 1 1 375.878 2.742 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000738367620 598765706 /nfs/dbraw/zinc/76/57/06/598765706.db2.gz WIZJDPMVRRTKCE-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000819912537 660274513 /nfs/dbraw/zinc/27/45/13/660274513.db2.gz TVEXZXQJINYADK-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000824738198 660400414 /nfs/dbraw/zinc/40/04/14/660400414.db2.gz KJZQGMVOEXZYMW-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830461639 660658203 /nfs/dbraw/zinc/65/82/03/660658203.db2.gz BYSQTABUZLXRPW-SNVBAGLBSA-N 1 1 394.280 2.759 20 5 GFBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830461639 660658206 /nfs/dbraw/zinc/65/82/06/660658206.db2.gz BYSQTABUZLXRPW-SNVBAGLBSA-N 1 1 394.280 2.759 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000032441134 654603089 /nfs/dbraw/zinc/60/30/89/654603089.db2.gz DOKHJHRYFZCXOH-NEPJUHHUSA-N 1 1 375.878 2.789 20 5 GFBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000132362277 654935388 /nfs/dbraw/zinc/93/53/88/654935388.db2.gz BZAYVNGIBRHOOJ-CYBMUJFWSA-N 1 1 387.458 2.685 20 5 GFBDMO C[C@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@H+]1C1CC1 ZINC000267908116 654951481 /nfs/dbraw/zinc/95/14/81/654951481.db2.gz BYMHPGWUOFEGAR-WPRPVWTQSA-N 1 1 386.221 2.851 20 5 GFBDMO CC(C)(C)c1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273457824 655143983 /nfs/dbraw/zinc/14/39/83/655143983.db2.gz HBYSIEYBFQXMTO-UHFFFAOYSA-N 1 1 383.495 2.912 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000115585411 655239605 /nfs/dbraw/zinc/23/96/05/655239605.db2.gz RVIWRBLLRDPQOO-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO CC(C)C[N@@H+](C)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593202986 655511987 /nfs/dbraw/zinc/51/19/87/655511987.db2.gz BLIHMGPNUGQEOQ-UHFFFAOYSA-N 1 1 386.290 2.994 20 5 GFBDMO CCC[N@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731984521 655590392 /nfs/dbraw/zinc/59/03/92/655590392.db2.gz LIGMVPXJUOJHTG-LLVKDONJSA-N 1 1 377.413 2.735 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000740893719 655700413 /nfs/dbraw/zinc/70/04/13/655700413.db2.gz BSWAOAOUZUOSSU-DGCLKSJQSA-N 1 1 375.878 2.742 20 5 GFBDMO O=C(NCC[NH+]1CCSCC1)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000755031176 655878764 /nfs/dbraw/zinc/87/87/64/655878764.db2.gz QEDZSCCXHBHXMA-UHFFFAOYSA-N 1 1 389.275 2.528 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719542 657324071 /nfs/dbraw/zinc/32/40/71/657324071.db2.gz CBGSBJMMZARICT-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO C[N@H+](C[C@@H]1CCCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795422245 658816725 /nfs/dbraw/zinc/81/67/25/658816725.db2.gz HMRZKLWZAAUOOY-NSHDSACASA-N 1 1 398.257 2.629 20 5 GFBDMO C[N@@H+](C[C@@H]1CCCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795422245 658816730 /nfs/dbraw/zinc/81/67/30/658816730.db2.gz HMRZKLWZAAUOOY-NSHDSACASA-N 1 1 398.257 2.629 20 5 GFBDMO C[C@H](O)C[C@@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440401 658819516 /nfs/dbraw/zinc/81/95/16/658819516.db2.gz UBRVKPNUOXAPKH-JQWIXIFHSA-N 1 1 398.257 2.506 20 5 GFBDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440401 658819525 /nfs/dbraw/zinc/81/95/25/658819525.db2.gz UBRVKPNUOXAPKH-JQWIXIFHSA-N 1 1 398.257 2.506 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000798223084 659082792 /nfs/dbraw/zinc/08/27/92/659082792.db2.gz DZJVPLXZSZEOMX-GFCCVEGCSA-N 1 1 375.878 2.661 20 5 GFBDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc(I)cn1 ZINC000800865395 659341687 /nfs/dbraw/zinc/34/16/87/659341687.db2.gz BEAZTCHXDVOFMV-UHFFFAOYSA-N 1 1 386.193 2.528 20 5 GFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cn1cc(I)cn1 ZINC000800865395 659341693 /nfs/dbraw/zinc/34/16/93/659341693.db2.gz BEAZTCHXDVOFMV-UHFFFAOYSA-N 1 1 386.193 2.528 20 5 GFBDMO C[N@@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CCC1 ZINC000863914805 662349914 /nfs/dbraw/zinc/34/99/14/662349914.db2.gz VZTITHSKCNYVNF-UHFFFAOYSA-N 1 1 382.258 2.726 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605564 662431995 /nfs/dbraw/zinc/43/19/95/662431995.db2.gz WWYALKWMKIMAAW-CYBMUJFWSA-N 1 1 382.258 2.500 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1cccc(Br)c1[N+](=O)[O-])C2 ZINC000865903088 662450320 /nfs/dbraw/zinc/45/03/20/662450320.db2.gz CRIXTBFLBKLPTQ-NSHDSACASA-N 1 1 395.257 2.824 20 5 GFBDMO C[C@@H]1CN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000868607105 662611838 /nfs/dbraw/zinc/61/18/38/662611838.db2.gz MKAGWQUYLNKHSF-LBPRGKRZSA-N 1 1 396.285 2.843 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000869226632 662636373 /nfs/dbraw/zinc/63/63/73/662636373.db2.gz YBNHDVMVVUAADG-GFCCVEGCSA-N 1 1 384.274 2.889 20 5 GFBDMO C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051921 662754813 /nfs/dbraw/zinc/75/48/13/662754813.db2.gz LOMPKXLRQIGULG-NSHDSACASA-N 1 1 387.458 2.767 20 5 GFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000872086434 662755636 /nfs/dbraw/zinc/75/56/36/662755636.db2.gz WMWCWKSFJOIACS-SECBINFHSA-N 1 1 386.417 2.944 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874833453 662837851 /nfs/dbraw/zinc/83/78/51/662837851.db2.gz NBGVBAMHFFSCFH-UONOGXRCSA-N 1 1 382.258 2.974 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883330288 663053485 /nfs/dbraw/zinc/05/34/85/663053485.db2.gz BMLVODOPHFVCMT-LBPRGKRZSA-N 1 1 399.289 2.888 20 5 GFBDMO CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CC2)C1 ZINC000889726744 663261418 /nfs/dbraw/zinc/26/14/18/663261418.db2.gz UVORQEHNRXDPJO-AWEZNQCLSA-N 1 1 397.273 2.735 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000925761624 664674396 /nfs/dbraw/zinc/67/43/96/664674396.db2.gz DADHVIWSOURQQK-RBSFLKMASA-N 1 1 384.274 2.604 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(CCO)(CCO)CC2)c1 ZINC000931469311 664795630 /nfs/dbraw/zinc/79/56/30/664795630.db2.gz QUMAEJGZRRSBLI-UHFFFAOYSA-N 1 1 387.274 2.704 20 5 GFBDMO O=C1N[C@@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)CO1 ZINC000932770419 664836498 /nfs/dbraw/zinc/83/64/98/664836498.db2.gz KVKGPKNNCPNHGI-GFCCVEGCSA-N 1 1 384.230 2.678 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811093 720107301 /nfs/dbraw/zinc/10/73/01/720107301.db2.gz LJIFZLVQFDMZSF-HRAATJIYSA-N 1 1 397.479 2.723 20 5 GFBDMO c1cnc2c(c1)ccc1ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc12 ZINC001164742360 720654803 /nfs/dbraw/zinc/65/48/03/720654803.db2.gz MZZCZBPOSMLTFY-RBUKOAKNSA-N 1 1 398.470 2.915 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164795852 721528528 /nfs/dbraw/zinc/52/85/28/721528528.db2.gz TVZHMWGGJWJYEE-GBESFXJTSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164795852 721528534 /nfs/dbraw/zinc/52/85/34/721528534.db2.gz TVZHMWGGJWJYEE-GBESFXJTSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806749 721559844 /nfs/dbraw/zinc/55/98/44/721559844.db2.gz ROTVJYSFHGQMEY-CMKODMSKSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164806749 721559848 /nfs/dbraw/zinc/55/98/48/721559848.db2.gz ROTVJYSFHGQMEY-CMKODMSKSA-N 1 1 397.479 2.870 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000173669180 552091098 /nfs/dbraw/zinc/09/10/98/552091098.db2.gz JZCYKBHHIZQLNO-GFCCVEGCSA-N 1 1 375.878 2.743 20 5 GFBDMO C[C@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000175333926 552119542 /nfs/dbraw/zinc/11/95/42/552119542.db2.gz ILPCWVRWFYSMBM-CYBMUJFWSA-N 1 1 383.495 2.845 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188229769 552439638 /nfs/dbraw/zinc/43/96/38/552439638.db2.gz KKSFGEOQTCXNEJ-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO CC(C)(O)C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000189908676 552482599 /nfs/dbraw/zinc/48/25/99/552482599.db2.gz FKNHOUAYYSOVIT-UHFFFAOYSA-N 1 1 386.246 2.531 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245677319 553094877 /nfs/dbraw/zinc/09/48/77/553094877.db2.gz IGXHHLZZXSNEAR-NHYWBVRUSA-N 1 1 382.258 2.914 20 5 GFBDMO O=[N+]([O-])c1cncc(I)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000418855346 563228079 /nfs/dbraw/zinc/22/80/79/563228079.db2.gz MHGGCLIAPNZEFH-VIFPVBQESA-N 1 1 399.192 2.702 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000370337017 563240610 /nfs/dbraw/zinc/24/06/10/563240610.db2.gz DPNPDBYILMWLPB-CQSZACIVSA-N 1 1 382.258 2.597 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1Br ZINC000375555085 563409434 /nfs/dbraw/zinc/40/94/34/563409434.db2.gz VQSISEXRIUSSDT-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425471838 563424075 /nfs/dbraw/zinc/42/40/75/563424075.db2.gz HLWSVLPYRZCAJZ-LLVKDONJSA-N 1 1 392.257 2.939 20 5 GFBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3[N+](=O)[O-])C2)n1 ZINC000425471838 563424076 /nfs/dbraw/zinc/42/40/76/563424076.db2.gz HLWSVLPYRZCAJZ-LLVKDONJSA-N 1 1 392.257 2.939 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@H]2C1 ZINC000376664252 563450216 /nfs/dbraw/zinc/45/02/16/563450216.db2.gz OSURHJAIKIVQTH-RNCFNFMXSA-N 1 1 386.221 2.663 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000408004327 563541242 /nfs/dbraw/zinc/54/12/42/563541242.db2.gz LKTSPWCCGASIQW-GFCCVEGCSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000408004327 563541245 /nfs/dbraw/zinc/54/12/45/563541245.db2.gz LKTSPWCCGASIQW-GFCCVEGCSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1cccc(NCCNC(=O)c2ccc(Br)cc2[N+](=O)[O-])[nH+]1 ZINC000431340460 563558733 /nfs/dbraw/zinc/55/87/33/563558733.db2.gz BTQBDWUSMFFJEM-UHFFFAOYSA-N 1 1 379.214 2.903 20 5 GFBDMO Cc1nnsc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000291695348 563754426 /nfs/dbraw/zinc/75/44/26/563754426.db2.gz JOWBXLVIKZARES-UHFFFAOYSA-N 1 1 390.206 2.649 20 5 GFBDMO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292374470 563784104 /nfs/dbraw/zinc/78/41/04/563784104.db2.gz ZIAJXHASEGGZRW-GFCCVEGCSA-N 1 1 390.267 2.868 20 5 GFBDMO CCSc1cc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000566910272 564348249 /nfs/dbraw/zinc/34/82/49/564348249.db2.gz JDCFRYMYFKPWIZ-UHFFFAOYSA-N 1 1 381.479 2.665 20 5 GFBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000518659762 564559952 /nfs/dbraw/zinc/55/99/52/564559952.db2.gz NMZFKPBPHVGRLR-UHFFFAOYSA-N 1 1 389.905 2.991 20 5 GFBDMO C[N@@H+](CCOc1ccc(Br)cc1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000536377853 565035941 /nfs/dbraw/zinc/03/59/41/565035941.db2.gz JTKLSIIHJFWGCR-UHFFFAOYSA-N 1 1 396.241 2.530 20 5 GFBDMO CC[N@@H+]1CCC[C@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309141 565160562 /nfs/dbraw/zinc/16/05/62/565160562.db2.gz DSVVCBYKLZEMEP-ZDUSSCGKSA-N 1 1 389.237 2.773 20 5 GFBDMO CC[N@H+]1CCC[C@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309141 565160564 /nfs/dbraw/zinc/16/05/64/565160564.db2.gz DSVVCBYKLZEMEP-ZDUSSCGKSA-N 1 1 389.237 2.773 20 5 GFBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252713 565333255 /nfs/dbraw/zinc/33/32/55/565333255.db2.gz NULZLPNSXHRIBJ-STQMWFEESA-N 1 1 387.864 2.985 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000599413545 565677372 /nfs/dbraw/zinc/67/73/72/565677372.db2.gz ZTQSZEISDLVIRS-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)NCc1ccco1 ZINC000602591507 565856471 /nfs/dbraw/zinc/85/64/71/565856471.db2.gz BCDMNEKMWPRUAP-QMMMGPOBSA-N 1 1 388.243 2.806 20 5 GFBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000611083700 566113848 /nfs/dbraw/zinc/11/38/48/566113848.db2.gz WSJUXUSWHQRTBJ-UHFFFAOYSA-N 1 1 383.495 2.845 20 5 GFBDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000822698936 599091531 /nfs/dbraw/zinc/09/15/31/599091531.db2.gz IXXQOTSDPQABNB-MRXNPFEDSA-N 1 1 390.407 2.904 20 5 GFBDMO Cc1[nH+]ccn1CCCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000822479238 599579786 /nfs/dbraw/zinc/57/97/86/599579786.db2.gz YHPPMDOGJDLEHH-UHFFFAOYSA-N 1 1 393.411 2.720 20 5 GFBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000830021805 660630874 /nfs/dbraw/zinc/63/08/74/660630874.db2.gz JEZOMSOFLUJPIN-ZBFHGGJFSA-N 1 1 383.901 2.877 20 5 GFBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc(Br)cc1[N+](=O)[O-] ZINC000130175839 654882428 /nfs/dbraw/zinc/88/24/28/654882428.db2.gz YQHLSTFZIVCKEM-UHFFFAOYSA-N 1 1 387.278 2.547 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133562851 654967632 /nfs/dbraw/zinc/96/76/32/654967632.db2.gz OXVYKHFPWMPDHD-NXEZZACHSA-N 1 1 375.397 2.628 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133562851 654967633 /nfs/dbraw/zinc/96/76/33/654967633.db2.gz OXVYKHFPWMPDHD-NXEZZACHSA-N 1 1 375.397 2.628 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000272571736 655116353 /nfs/dbraw/zinc/11/63/53/655116353.db2.gz FTNBBBMRBDPUHU-ZANVPECISA-N 1 1 386.221 2.663 20 5 GFBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839612083 661095787 /nfs/dbraw/zinc/09/57/87/661095787.db2.gz AOQWDOIONTVGLY-NSHDSACASA-N 1 1 384.230 2.631 20 5 GFBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000839612083 661095791 /nfs/dbraw/zinc/09/57/91/661095791.db2.gz AOQWDOIONTVGLY-NSHDSACASA-N 1 1 384.230 2.631 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[N@H+](C2CC2)CC1 ZINC000176126904 655235902 /nfs/dbraw/zinc/23/59/02/655235902.db2.gz DRTFXSQJLDEQCS-UHFFFAOYSA-N 1 1 382.258 2.597 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000119061067 655288426 /nfs/dbraw/zinc/28/84/26/655288426.db2.gz SKYFMFIQBMTGLX-UHFFFAOYSA-N 1 1 386.861 2.772 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120226906 655331816 /nfs/dbraw/zinc/33/18/16/655331816.db2.gz XTDNQQPYRIQZGR-ZDUSSCGKSA-N 1 1 389.905 2.895 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)C1 ZINC000293616144 655360047 /nfs/dbraw/zinc/36/00/47/655360047.db2.gz DCVBQUDWCBEJSM-HNNXBMFYSA-N 1 1 386.221 2.664 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743376883 655728292 /nfs/dbraw/zinc/72/82/92/655728292.db2.gz NHUCHYQHVBKUJP-AWEZNQCLSA-N 1 1 394.273 2.718 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000752233945 655841154 /nfs/dbraw/zinc/84/11/54/655841154.db2.gz ATMHGQVAGZCMJP-UHFFFAOYSA-N 1 1 375.878 2.567 20 5 GFBDMO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000755008447 655878314 /nfs/dbraw/zinc/87/83/14/655878314.db2.gz MTJLFZDZAJGWLK-NSHDSACASA-N 1 1 386.221 2.805 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000768192844 656234298 /nfs/dbraw/zinc/23/42/98/656234298.db2.gz UXGUVBUYZBCDJF-CYBMUJFWSA-N 1 1 384.274 2.654 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719545 657324142 /nfs/dbraw/zinc/32/41/42/657324142.db2.gz CBGSBJMMZARICT-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO C[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCSC1 ZINC000795442250 658819866 /nfs/dbraw/zinc/81/98/66/658819866.db2.gz LIGIXRWCDYQNTC-SNVBAGLBSA-N 1 1 386.271 2.708 20 5 GFBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@@H]1CCSC1 ZINC000795442250 658819871 /nfs/dbraw/zinc/81/98/71/658819871.db2.gz LIGIXRWCDYQNTC-SNVBAGLBSA-N 1 1 386.271 2.708 20 5 GFBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000798160509 659076954 /nfs/dbraw/zinc/07/69/54/659076954.db2.gz KWHPOCMQEWPYOJ-QWRGUYRKSA-N 1 1 385.262 2.603 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811490508 660010226 /nfs/dbraw/zinc/01/02/26/660010226.db2.gz SIQQDSSDILFXLT-UHFFFAOYSA-N 1 1 390.248 2.860 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000813442400 660054247 /nfs/dbraw/zinc/05/42/47/660054247.db2.gz ABTVIVBWIXWHKB-KGLIPLIRSA-N 1 1 388.251 2.573 20 5 GFBDMO CN(C[C@@H]1CCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000817149847 660183910 /nfs/dbraw/zinc/18/39/10/660183910.db2.gz IJJJBNMLWADQRG-VIFPVBQESA-N 1 1 382.269 2.616 20 5 GFBDMO CC[N@@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000853684392 661897161 /nfs/dbraw/zinc/89/71/61/661897161.db2.gz ADLJJKFZOGGQQT-LLVKDONJSA-N 1 1 377.413 2.512 20 5 GFBDMO CC[N@H+]1CCCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000853684392 661897162 /nfs/dbraw/zinc/89/71/62/661897162.db2.gz ADLJJKFZOGGQQT-LLVKDONJSA-N 1 1 377.413 2.512 20 5 GFBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856727392 662038865 /nfs/dbraw/zinc/03/88/65/662038865.db2.gz LXQXYAJQVFLYQU-AWEZNQCLSA-N 1 1 399.289 2.712 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CNc1cc[nH+]c(N2CCOCC2)n1 ZINC000882880621 663044357 /nfs/dbraw/zinc/04/43/57/663044357.db2.gz BDTSKVATDQIMLY-UHFFFAOYSA-N 1 1 394.229 2.596 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)cc1[N+](=O)[O-] ZINC000887930774 663170740 /nfs/dbraw/zinc/17/07/40/663170740.db2.gz WLQUFJCGMSVENM-WBMJQRKESA-N 1 1 382.258 2.689 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725903 663260989 /nfs/dbraw/zinc/26/09/89/663260989.db2.gz RGLVTIYCOOPLJN-FZMZJTMJSA-N 1 1 399.289 2.839 20 5 GFBDMO CCc1[nH+]ccn1Cc1cn(Cc2cc([N+](=O)[O-])ccc2Br)nn1 ZINC000900595955 663717699 /nfs/dbraw/zinc/71/76/99/663717699.db2.gz WNGIWWOOPYCOKR-UHFFFAOYSA-N 1 1 391.229 2.804 20 5 GFBDMO C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000907516629 664042745 /nfs/dbraw/zinc/04/27/45/664042745.db2.gz GPRVRDFLKACJKO-DTWKUNHWSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H](O)C[N@H+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C1 ZINC000907516629 664042749 /nfs/dbraw/zinc/04/27/49/664042749.db2.gz GPRVRDFLKACJKO-DTWKUNHWSA-N 1 1 394.230 2.568 20 5 GFBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@@]2(C)C1 ZINC000913285276 664331259 /nfs/dbraw/zinc/33/12/59/664331259.db2.gz SAZVHKMXMMYJAP-IYBDPMFKSA-N 1 1 382.258 2.771 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+](CCCCCO)CC1 ZINC000913694044 664350947 /nfs/dbraw/zinc/35/09/47/664350947.db2.gz ACBDZAFJCIXVQE-UHFFFAOYSA-N 1 1 390.267 2.822 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000931706694 664803306 /nfs/dbraw/zinc/80/33/06/664803306.db2.gz JAPMNIUABHAYJP-CQSZACIVSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1 ZINC000931706694 664803308 /nfs/dbraw/zinc/80/33/08/664803308.db2.gz JAPMNIUABHAYJP-CQSZACIVSA-N 1 1 385.258 2.721 20 5 GFBDMO O=C1NCCN1CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000933580570 664869585 /nfs/dbraw/zinc/86/95/85/664869585.db2.gz VOJSSMHNVVVYMV-UHFFFAOYSA-N 1 1 397.273 2.595 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164618473 719068404 /nfs/dbraw/zinc/06/84/04/719068404.db2.gz AUVMREUGGDZNMZ-CRAIPNDOSA-N 1 1 383.408 2.999 20 5 GFBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2 ZINC001164649118 719310466 /nfs/dbraw/zinc/31/04/66/719310466.db2.gz OCYHNBITTQPKSN-UHFFFAOYSA-N 1 1 395.467 2.940 20 5 GFBDMO Nc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697642 719897538 /nfs/dbraw/zinc/89/75/38/719897538.db2.gz MKTAACRIHYAMJQ-UHFFFAOYSA-N 1 1 389.481 2.505 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816407 720100788 /nfs/dbraw/zinc/10/07/88/720100788.db2.gz YQWIFOZWLJXTIN-KBXCAEBGSA-N 1 1 380.876 2.828 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164763229 721182719 /nfs/dbraw/zinc/18/27/19/721182719.db2.gz DUEDFZDBPZUBJK-MSOLQXFVSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c21 ZINC001164788000 721434577 /nfs/dbraw/zinc/43/45/77/721434577.db2.gz RRCMMHYJWADUEJ-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c21 ZINC001164788000 721434580 /nfs/dbraw/zinc/43/45/80/721434580.db2.gz RRCMMHYJWADUEJ-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO COc1ncnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-] ZINC001165026867 721812332 /nfs/dbraw/zinc/81/23/32/721812332.db2.gz RUUJNSBURIFOKC-XIRDDKMYSA-N 1 1 398.467 2.525 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982513 722124175 /nfs/dbraw/zinc/12/41/75/722124175.db2.gz WVKOIBBBNUAFOY-OALUTQOASA-N 1 1 397.479 2.729 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153003202 551444719 /nfs/dbraw/zinc/44/47/19/551444719.db2.gz OOKSFJCNZQZLQK-ABAIWWIYSA-N 1 1 384.274 2.698 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000172519486 551680868 /nfs/dbraw/zinc/68/08/68/551680868.db2.gz HLCDHGCSISEDAH-JTQLQIEISA-N 1 1 381.230 2.928 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255769 552081048 /nfs/dbraw/zinc/08/10/48/552081048.db2.gz NLZCDYLQYYRBJR-YPMHNXCESA-N 1 1 375.878 2.599 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173665518 552090700 /nfs/dbraw/zinc/09/07/00/552090700.db2.gz OPESJXSWRRTPHM-ZDUSSCGKSA-N 1 1 375.878 2.743 20 5 GFBDMO CC[N@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000188063397 552433726 /nfs/dbraw/zinc/43/37/26/552433726.db2.gz FQNNUMBUOKGAQR-UHFFFAOYSA-N 1 1 382.214 2.925 20 5 GFBDMO CC[N@@H+](CC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000188063397 552433728 /nfs/dbraw/zinc/43/37/28/552433728.db2.gz FQNNUMBUOKGAQR-UHFFFAOYSA-N 1 1 382.214 2.925 20 5 GFBDMO C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246138372 553102877 /nfs/dbraw/zinc/10/28/77/553102877.db2.gz FAZOZTYVNJQZPU-FZMZJTMJSA-N 1 1 382.258 2.595 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248142516 553127625 /nfs/dbraw/zinc/12/76/25/553127625.db2.gz PUUPAJKRMHBPCW-CZUORRHYSA-N 1 1 396.285 2.843 20 5 GFBDMO CCC[N@H+]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000373106990 563328321 /nfs/dbraw/zinc/32/83/21/563328321.db2.gz OLFNVNJAGDQDKF-UHFFFAOYSA-N 1 1 376.276 2.977 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295484754 563250464 /nfs/dbraw/zinc/25/04/64/563250464.db2.gz CJJCUEABFCDXDO-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO CCC[N@@H+]1CCCN(C(=O)c2sc(Br)cc2[N+](=O)[O-])CC1 ZINC000373106990 563328318 /nfs/dbraw/zinc/32/83/18/563328318.db2.gz OLFNVNJAGDQDKF-UHFFFAOYSA-N 1 1 376.276 2.977 20 5 GFBDMO CC(C)OCC[NH+]1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425414036 563421592 /nfs/dbraw/zinc/42/15/92/563421592.db2.gz FLHMRDJFBNRVNU-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313340348 563437556 /nfs/dbraw/zinc/43/75/56/563437556.db2.gz MDHFSBYEHACATQ-HNNXBMFYSA-N 1 1 381.841 2.583 20 5 GFBDMO O=C([C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287510708 563604984 /nfs/dbraw/zinc/60/49/84/563604984.db2.gz ULJWWUVIZZRKSA-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287510708 563604985 /nfs/dbraw/zinc/60/49/85/563604985.db2.gz ULJWWUVIZZRKSA-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363595308 563727705 /nfs/dbraw/zinc/72/77/05/563727705.db2.gz NKBIPKDVRRLWDF-UKRRQHHQSA-N 1 1 381.523 2.725 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363647275 563729530 /nfs/dbraw/zinc/72/95/30/563729530.db2.gz UHGPQPBOSMKXST-HZUKXOBISA-N 1 1 394.269 2.914 20 5 GFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340566 563749912 /nfs/dbraw/zinc/74/99/12/563749912.db2.gz SAKMJKUVYWTHNE-GOEBONIOSA-N 1 1 395.257 2.924 20 5 GFBDMO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340566 563749914 /nfs/dbraw/zinc/74/99/14/563749914.db2.gz SAKMJKUVYWTHNE-GOEBONIOSA-N 1 1 395.257 2.924 20 5 GFBDMO O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000294019905 563830159 /nfs/dbraw/zinc/83/01/59/563830159.db2.gz KQNJFNZNORNYML-UHFFFAOYSA-N 1 1 391.225 2.715 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)cs1 ZINC000509400039 564296876 /nfs/dbraw/zinc/29/68/76/564296876.db2.gz CCEDRRBGVGJQGT-UHFFFAOYSA-N 1 1 393.849 2.517 20 5 GFBDMO O=C(NCC[NH+]1CCSCC1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000475220971 564303163 /nfs/dbraw/zinc/30/31/63/564303163.db2.gz VCJRREHMKXUTIU-UHFFFAOYSA-N 1 1 378.376 2.784 20 5 GFBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000493684578 564809529 /nfs/dbraw/zinc/80/95/29/564809529.db2.gz REMGCDVONBFOBP-OAHLLOKOSA-N 1 1 383.495 2.854 20 5 GFBDMO CCCC[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462143519 564823091 /nfs/dbraw/zinc/82/30/91/564823091.db2.gz WQERUBDOJQZCCR-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462143519 564823094 /nfs/dbraw/zinc/82/30/94/564823094.db2.gz WQERUBDOJQZCCR-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356506 564835365 /nfs/dbraw/zinc/83/53/65/564835365.db2.gz IAEWUKGDNUHUIW-JOYOIKCWSA-N 1 1 396.296 2.862 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000467068819 564954673 /nfs/dbraw/zinc/95/46/73/564954673.db2.gz MWPKTNKUMIYTHN-JSGCOSHPSA-N 1 1 385.511 2.602 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000467784203 564972742 /nfs/dbraw/zinc/97/27/42/564972742.db2.gz LFLQXXKSGAAUHD-CYBMUJFWSA-N 1 1 387.889 2.601 20 5 GFBDMO C[NH+](C)Cc1ccc(NC(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)cc1Br ZINC000469487803 565018500 /nfs/dbraw/zinc/01/85/00/565018500.db2.gz LLAUCZJBYUTIPU-UHFFFAOYSA-N 1 1 395.213 2.772 20 5 GFBDMO C[C@]12COC[C@@H]1C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758942 565491147 /nfs/dbraw/zinc/49/11/47/565491147.db2.gz NNFVIEKHNODXBU-FZMZJTMJSA-N 1 1 388.205 2.668 20 5 GFBDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758942 565491151 /nfs/dbraw/zinc/49/11/51/565491151.db2.gz NNFVIEKHNODXBU-FZMZJTMJSA-N 1 1 388.205 2.668 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267831 598869727 /nfs/dbraw/zinc/86/97/27/598869727.db2.gz PKKRBUGVYPVJEI-HUUCEWRRSA-N 1 1 385.472 2.866 20 5 GFBDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736822347 598754687 /nfs/dbraw/zinc/75/46/87/598754687.db2.gz MBUGLAQEOILAMD-UHFFFAOYSA-N 1 1 390.407 2.728 20 5 GFBDMO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000736822347 598754688 /nfs/dbraw/zinc/75/46/88/598754688.db2.gz MBUGLAQEOILAMD-UHFFFAOYSA-N 1 1 390.407 2.728 20 5 GFBDMO Cc1ccc(CNc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c(N2CCCC2)[nH+]1 ZINC000826288712 609313398 /nfs/dbraw/zinc/31/33/98/609313398.db2.gz SWJWQUARUDHUFS-UHFFFAOYSA-N 1 1 380.412 2.691 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1Br ZINC000824655396 660398824 /nfs/dbraw/zinc/39/88/24/660398824.db2.gz WGRUDJDZYUENMK-GZBFAFLISA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)ccc1Br ZINC000824655396 660398827 /nfs/dbraw/zinc/39/88/27/660398827.db2.gz WGRUDJDZYUENMK-GZBFAFLISA-N 1 1 385.258 2.719 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827264640 660486905 /nfs/dbraw/zinc/48/69/05/660486905.db2.gz CXSMYEXHSFYCRW-NHYWBVRUSA-N 1 1 382.258 2.832 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000032441135 654603213 /nfs/dbraw/zinc/60/32/13/654603213.db2.gz DOKHJHRYFZCXOH-RYUDHWBXSA-N 1 1 375.878 2.789 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940683 654953411 /nfs/dbraw/zinc/95/34/11/654953411.db2.gz RWHCHPGLQPFBNA-CABZTGNLSA-N 1 1 388.237 2.909 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272533618 655115785 /nfs/dbraw/zinc/11/57/85/655115785.db2.gz RBJZRYWIPOYISU-XHDPSFHLSA-N 1 1 382.258 2.832 20 5 GFBDMO C[C@@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272652806 655118031 /nfs/dbraw/zinc/11/80/31/655118031.db2.gz AVKBGBHXNOYZMV-SNVBAGLBSA-N 1 1 375.397 2.653 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274901594 655206546 /nfs/dbraw/zinc/20/65/46/655206546.db2.gz LGAZRBXXOQMAKK-UHFFFAOYSA-N 1 1 391.225 2.715 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1Br ZINC000839497308 661087699 /nfs/dbraw/zinc/08/76/99/661087699.db2.gz HEOOPGHZERKJJS-CYBMUJFWSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1Br ZINC000839497308 661087702 /nfs/dbraw/zinc/08/77/02/661087702.db2.gz HEOOPGHZERKJJS-CYBMUJFWSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1Br ZINC000839528418 661090095 /nfs/dbraw/zinc/09/00/95/661090095.db2.gz RNUSPKKPGWXGCH-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1Br ZINC000839528418 661090097 /nfs/dbraw/zinc/09/00/97/661090097.db2.gz RNUSPKKPGWXGCH-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000119767481 655314388 /nfs/dbraw/zinc/31/43/88/655314388.db2.gz XOPJEKQBLROMGN-CQSZACIVSA-N 1 1 381.479 2.599 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000119767481 655314389 /nfs/dbraw/zinc/31/43/89/655314389.db2.gz XOPJEKQBLROMGN-CQSZACIVSA-N 1 1 381.479 2.599 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000740893721 655700409 /nfs/dbraw/zinc/70/04/09/655700409.db2.gz BSWAOAOUZUOSSU-YPMHNXCESA-N 1 1 375.878 2.742 20 5 GFBDMO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3n[nH]cc3Br)CC2)cc1 ZINC000766085926 656160512 /nfs/dbraw/zinc/16/05/12/656160512.db2.gz WPKQMYRSGXOIDX-UHFFFAOYSA-N 1 1 380.246 2.839 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000775596588 656653223 /nfs/dbraw/zinc/65/32/23/656653223.db2.gz VZXQVPBLJBCDEY-DGCLKSJQSA-N 1 1 389.905 2.955 20 5 GFBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421501 658095292 /nfs/dbraw/zinc/09/52/92/658095292.db2.gz NLBZHMPPBIYKPE-VIFPVBQESA-N 1 1 384.285 2.910 20 5 GFBDMO Cc1nn(C[N@H+](C)CCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc12 ZINC000808243006 659884104 /nfs/dbraw/zinc/88/41/04/659884104.db2.gz SKZOIQUVHZYIIR-UHFFFAOYSA-N 1 1 393.245 2.801 20 5 GFBDMO Cc1nn(C[N@@H+](C)CCn2cc(Br)cn2)c2cc([N+](=O)[O-])ccc12 ZINC000808243006 659884105 /nfs/dbraw/zinc/88/41/05/659884105.db2.gz SKZOIQUVHZYIIR-UHFFFAOYSA-N 1 1 393.245 2.801 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815020264 660102491 /nfs/dbraw/zinc/10/24/91/660102491.db2.gz WAUZTDLLGJESGQ-GHMZBOCLSA-N 1 1 393.868 2.881 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000815020265 660102592 /nfs/dbraw/zinc/10/25/92/660102592.db2.gz WAUZTDLLGJESGQ-MNOVXSKESA-N 1 1 393.868 2.881 20 5 GFBDMO C[C@H]1CC[N@@H+](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000848053620 661622919 /nfs/dbraw/zinc/62/29/19/661622919.db2.gz SFZQWOFZJMZKEG-NSHDSACASA-N 1 1 382.258 2.584 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849411204 661718221 /nfs/dbraw/zinc/71/82/21/661718221.db2.gz AUCGWAXXDYZYHS-JTQLQIEISA-N 1 1 393.868 2.786 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000852680094 661871285 /nfs/dbraw/zinc/87/12/85/661871285.db2.gz LLDNMIUAROBJNK-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000852680094 661871286 /nfs/dbraw/zinc/87/12/86/661871286.db2.gz LLDNMIUAROBJNK-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000855161112 661973896 /nfs/dbraw/zinc/97/38/96/661973896.db2.gz LBWLYULTJHSBQF-JTQLQIEISA-N 1 1 385.262 2.603 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864942905 662392073 /nfs/dbraw/zinc/39/20/73/662392073.db2.gz NNSPIYWICUFAIH-NSHDSACASA-N 1 1 395.257 2.857 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866193510 662463935 /nfs/dbraw/zinc/46/39/35/662463935.db2.gz MZERYMUWNCIHCL-ZDUSSCGKSA-N 1 1 384.274 2.700 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447596 663558010 /nfs/dbraw/zinc/55/80/10/663558010.db2.gz ZAHGCVZNDKSQNA-UONOGXRCSA-N 1 1 397.273 2.735 20 5 GFBDMO CN(c1cccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)c1)S(C)(=O)=O ZINC000898286544 663642251 /nfs/dbraw/zinc/64/22/51/663642251.db2.gz IVJFNPASEYHYIY-UHFFFAOYSA-N 1 1 383.857 2.934 20 5 GFBDMO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000903326847 663782121 /nfs/dbraw/zinc/78/21/21/663782121.db2.gz URZLRRVDHKCJFW-OTYXRUKQSA-N 1 1 391.225 2.966 20 5 GFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928085662 664722275 /nfs/dbraw/zinc/72/22/75/664722275.db2.gz JLYBXCSTGLEUBD-ZFWWWQNUSA-N 1 1 387.864 2.626 20 5 GFBDMO Cc1c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251824 664789304 /nfs/dbraw/zinc/78/93/04/664789304.db2.gz BOWOSHBOUNXWSM-IINYFYTJSA-N 1 1 383.246 2.834 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164630155 719085568 /nfs/dbraw/zinc/08/55/68/719085568.db2.gz VQBIXOXRPNTEIJ-RDJZCZTQSA-N 1 1 388.855 2.982 20 5 GFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625853 719112890 /nfs/dbraw/zinc/11/28/90/719112890.db2.gz HEMJMSQGHWOHRG-VQIMIIECSA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809061 720106292 /nfs/dbraw/zinc/10/62/92/720106292.db2.gz GNVVAOJTOOKDDH-HRAATJIYSA-N 1 1 397.479 2.723 20 5 GFBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc([N+](=O)[O-])cc3F)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838468 720529293 /nfs/dbraw/zinc/52/92/93/720529293.db2.gz OADWRNZXEZSAKD-UWWQBHOKSA-N 1 1 388.447 2.703 20 5 GFBDMO Cc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)ncc1[N+](=O)[O-] ZINC001164836990 720723410 /nfs/dbraw/zinc/72/34/10/720723410.db2.gz CMDPACPRNSFPSP-GOSISDBHSA-N 1 1 397.479 2.953 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164767252 721104787 /nfs/dbraw/zinc/10/47/87/721104787.db2.gz LZZFVVAORYWLOU-LSDHHAIUSA-N 1 1 390.875 2.643 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ncc([N+](=O)[O-])c5ccccc54)C[C@@H]3C2)cn1 ZINC001164762114 721118803 /nfs/dbraw/zinc/11/88/03/721118803.db2.gz BYAMSYIXXAHPNX-SJORKVTESA-N 1 1 392.463 2.835 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@@H]3C2)cn1 ZINC001164768960 721119991 /nfs/dbraw/zinc/11/99/91/721119991.db2.gz OMJVTLHBDXJWJC-MSOLQXFVSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164790742 721403337 /nfs/dbraw/zinc/40/33/37/721403337.db2.gz XVDXGZYJLVCOBN-VXGBXAGGSA-N 1 1 379.873 2.976 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024818 721809704 /nfs/dbraw/zinc/80/97/04/721809704.db2.gz KQBRNPXKYWAJFP-RYQLBKOJSA-N 1 1 382.468 2.825 20 5 GFBDMO O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165054452 722010856 /nfs/dbraw/zinc/01/08/56/722010856.db2.gz YRPOYVJHANFDNY-UHFFFAOYSA-N 1 1 398.854 2.951 20 5 GFBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359893830 212122093 /nfs/dbraw/zinc/12/20/93/212122093.db2.gz DENOQTKIICTSHU-JXFKEZNVSA-N 1 1 398.463 2.660 20 5 GFBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359893830 212122094 /nfs/dbraw/zinc/12/20/94/212122094.db2.gz DENOQTKIICTSHU-JXFKEZNVSA-N 1 1 398.463 2.660 20 5 GFBDMO CC[N@@H+](C)Cc1cccc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000123281453 551304400 /nfs/dbraw/zinc/30/44/00/551304400.db2.gz RAOQRGXGXNIBDB-UHFFFAOYSA-N 1 1 383.495 2.895 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124721601 551317078 /nfs/dbraw/zinc/31/70/78/551317078.db2.gz ULXNMLSPEFEGRV-NSHDSACASA-N 1 1 382.258 2.500 20 5 GFBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c(Cl)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000127995122 551345698 /nfs/dbraw/zinc/34/56/98/551345698.db2.gz BGEJNHVQFXKARV-AWEZNQCLSA-N 1 1 387.267 2.820 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000164096222 551624065 /nfs/dbraw/zinc/62/40/65/551624065.db2.gz VXFWDBWZQDGUPD-ABAIWWIYSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000176724064 552145059 /nfs/dbraw/zinc/14/50/59/552145059.db2.gz MOSFSHHFXONQBA-UHFFFAOYSA-N 1 1 386.861 2.820 20 5 GFBDMO CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000185312901 552361091 /nfs/dbraw/zinc/36/10/91/552361091.db2.gz XDUNXHIFKDEBNJ-LBPRGKRZSA-N 1 1 388.262 2.635 20 5 GFBDMO C[N@@H+](CCn1cc(Br)cc([N+](=O)[O-])c1=O)Cc1ccc(F)cc1 ZINC000185695275 552369151 /nfs/dbraw/zinc/36/91/51/552369151.db2.gz SZSLLAJJNGXGHQ-UHFFFAOYSA-N 1 1 384.205 2.790 20 5 GFBDMO NS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000372741766 563316061 /nfs/dbraw/zinc/31/60/61/563316061.db2.gz OPDNSSJMSVZTFU-CYBMUJFWSA-N 1 1 381.479 2.576 20 5 GFBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000372741766 563316063 /nfs/dbraw/zinc/31/60/63/563316063.db2.gz OPDNSSJMSVZTFU-CYBMUJFWSA-N 1 1 381.479 2.576 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085112 563735925 /nfs/dbraw/zinc/73/59/25/563735925.db2.gz ZIGZBAQYCZGUOA-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO [NH3+]C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000447251136 563877879 /nfs/dbraw/zinc/87/78/79/563877879.db2.gz SSAJUIZZYDWPAH-NSHDSACASA-N 1 1 382.269 2.697 20 5 GFBDMO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCn1cc(Br)cn1 ZINC000564158828 564222615 /nfs/dbraw/zinc/22/26/15/564222615.db2.gz AZPLKJUWBSCHKP-UHFFFAOYSA-N 1 1 396.245 2.514 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000462523661 564845591 /nfs/dbraw/zinc/84/55/91/564845591.db2.gz FJVPYWAXWPEOKC-NEPJUHHUSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000462523661 564845595 /nfs/dbraw/zinc/84/55/95/564845595.db2.gz FJVPYWAXWPEOKC-NEPJUHHUSA-N 1 1 394.280 2.807 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cc[nH+]1 ZINC000463855905 564891682 /nfs/dbraw/zinc/89/16/82/564891682.db2.gz DRMVSAVJQFVXKT-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000558181717 564895634 /nfs/dbraw/zinc/89/56/34/564895634.db2.gz BLZVTBCKHHHOII-LLVKDONJSA-N 1 1 396.245 2.513 20 5 GFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000558181717 564895638 /nfs/dbraw/zinc/89/56/38/564895638.db2.gz BLZVTBCKHHHOII-LLVKDONJSA-N 1 1 396.245 2.513 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000467394562 564961973 /nfs/dbraw/zinc/96/19/73/564961973.db2.gz PPIIEXJWNXEZID-SCRDCRAPSA-N 1 1 387.527 2.991 20 5 GFBDMO C[C@H]1CC[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562035084 565016586 /nfs/dbraw/zinc/01/65/86/565016586.db2.gz HCHCUXRBAQPXAU-NSHDSACASA-N 1 1 389.237 2.725 20 5 GFBDMO Cc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000469492872 565018768 /nfs/dbraw/zinc/01/87/68/565018768.db2.gz YSBRJOFDRAUBCF-UHFFFAOYSA-N 1 1 382.218 2.703 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590590359 565192645 /nfs/dbraw/zinc/19/26/45/565192645.db2.gz UYCQBHZEXNKDNV-CYBMUJFWSA-N 1 1 387.458 2.685 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1c(Br)cccc1[N+](=O)[O-])C2 ZINC000599976962 565709379 /nfs/dbraw/zinc/70/93/79/565709379.db2.gz FNHBGHQLGZZADA-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[NH+](CCCF)CC2)cc1[N+](=O)[O-] ZINC000600076550 565713165 /nfs/dbraw/zinc/71/31/65/565713165.db2.gz PFNAFCJYMSONHY-UHFFFAOYSA-N 1 1 388.237 2.783 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290631 565837679 /nfs/dbraw/zinc/83/76/79/565837679.db2.gz IFLFNCWPWMYAQR-YPMHNXCESA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609196204 566032046 /nfs/dbraw/zinc/03/20/46/566032046.db2.gz FWSWMLGHMPZWHQ-LBPRGKRZSA-N 1 1 375.878 2.791 20 5 GFBDMO Cn1cc[nH+]c1C[C@H](Nc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])c1ccccc1 ZINC000822698935 599091199 /nfs/dbraw/zinc/09/11/99/599091199.db2.gz IXXQOTSDPQABNB-INIZCTEOSA-N 1 1 390.407 2.904 20 5 GFBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597918 599107276 /nfs/dbraw/zinc/10/72/76/599107276.db2.gz LGGIFHKHTPYVFJ-INIZCTEOSA-N 1 1 393.451 2.733 20 5 GFBDMO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)c(-c2nn[nH]n2)c1 ZINC000738373724 598580724 /nfs/dbraw/zinc/58/07/24/598580724.db2.gz GEXVKIFBQVUAGU-AWEZNQCLSA-N 1 1 386.460 2.627 20 5 GFBDMO COc1ccc(CNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc23)cc1[N+](=O)[O-] ZINC000821818229 599488151 /nfs/dbraw/zinc/48/81/51/599488151.db2.gz LSSFJUPDQCJGGK-UHFFFAOYSA-N 1 1 391.391 2.674 20 5 GFBDMO CN(c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821619391 606045046 /nfs/dbraw/zinc/04/50/46/606045046.db2.gz VCNLXPGFARDZDA-QGZVFWFLSA-N 1 1 393.451 2.876 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820664510 606716211 /nfs/dbraw/zinc/71/62/11/606716211.db2.gz AZUXKOPIKUBEFS-HIFRSBDPSA-N 1 1 394.439 2.635 20 5 GFBDMO O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000822788230 660354349 /nfs/dbraw/zinc/35/43/49/660354349.db2.gz DFZPTOPVKPFZKN-GHMZBOCLSA-N 1 1 391.225 2.769 20 5 GFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825765221 660441188 /nfs/dbraw/zinc/44/11/88/660441188.db2.gz VFDMDNCNTZAJDM-PHIMTYICSA-N 1 1 385.262 2.745 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827142455 660480526 /nfs/dbraw/zinc/48/05/26/660480526.db2.gz GWESZNZZTZUFLZ-LBPRGKRZSA-N 1 1 399.289 2.850 20 5 GFBDMO O=C1CC[C@H]([NH+]2CCN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)CC2)CCN1 ZINC000829352481 660590172 /nfs/dbraw/zinc/59/01/72/660590172.db2.gz NSXCDUDENJRNMP-NSHDSACASA-N 1 1 387.267 2.692 20 5 GFBDMO O=C(CCc1c(Cl)cccc1[N+](=O)[O-])N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000830021797 660630866 /nfs/dbraw/zinc/63/08/66/660630866.db2.gz JEZOMSOFLUJPIN-GDBMZVCRSA-N 1 1 383.901 2.877 20 5 GFBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000065684983 654885158 /nfs/dbraw/zinc/88/51/58/654885158.db2.gz LNDIIEVMMBRBTO-CQSZACIVSA-N 1 1 383.495 2.800 20 5 GFBDMO CCN1CC[NH+]([C@H]2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)C2)CC1 ZINC000093132835 655017714 /nfs/dbraw/zinc/01/77/14/655017714.db2.gz FHNZSTMZKVMSSS-HNNXBMFYSA-N 1 1 397.317 2.569 20 5 GFBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1 ZINC000269992607 655030545 /nfs/dbraw/zinc/03/05/45/655030545.db2.gz UJQFBVIJAPSHAS-UHFFFAOYSA-N 1 1 381.230 2.991 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000271412467 655080432 /nfs/dbraw/zinc/08/04/32/655080432.db2.gz PVXHMUOOIOIREJ-AAEUAGOBSA-N 1 1 385.511 2.513 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000271412467 655080433 /nfs/dbraw/zinc/08/04/33/655080433.db2.gz PVXHMUOOIOIREJ-AAEUAGOBSA-N 1 1 385.511 2.513 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000105400435 655092373 /nfs/dbraw/zinc/09/23/73/655092373.db2.gz NTMLDWNOIKPXGP-OAHLLOKOSA-N 1 1 393.241 2.585 20 5 GFBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752250538 655841376 /nfs/dbraw/zinc/84/13/76/655841376.db2.gz IORMZPOBHQYVBE-GFCCVEGCSA-N 1 1 375.878 2.709 20 5 GFBDMO Cc1cccc(NCCNC(=O)c2cccc([N+](=O)[O-])c2Br)[nH+]1 ZINC000760830036 655992905 /nfs/dbraw/zinc/99/29/05/655992905.db2.gz BSPOKQQWYQQTSW-UHFFFAOYSA-N 1 1 379.214 2.903 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000770382718 656317967 /nfs/dbraw/zinc/31/79/67/656317967.db2.gz NFUHLLRLMVYOGL-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000770382718 656317969 /nfs/dbraw/zinc/31/79/69/656317969.db2.gz NFUHLLRLMVYOGL-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164285 659077456 /nfs/dbraw/zinc/07/74/56/659077456.db2.gz JFDJYLNKDMQHMW-MNOVXSKESA-N 1 1 385.262 2.603 20 5 GFBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000801715238 659419067 /nfs/dbraw/zinc/41/90/67/659419067.db2.gz BMNPPFGLJANSIC-ZDUSSCGKSA-N 1 1 389.886 2.891 20 5 GFBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000817149844 660183950 /nfs/dbraw/zinc/18/39/50/660183950.db2.gz IJJJBNMLWADQRG-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO CC(C)C[N@@H+](C)CCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000845585080 661482136 /nfs/dbraw/zinc/48/21/36/661482136.db2.gz XMZOEJGQUPOQCE-UHFFFAOYSA-N 1 1 379.429 2.981 20 5 GFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCn3cnc(Br)n3)C2)cc1 ZINC000852135650 661854151 /nfs/dbraw/zinc/85/41/51/661854151.db2.gz QPRJPUPCJBXHCH-CYBMUJFWSA-N 1 1 380.246 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCn3cnc(Br)n3)C2)cc1 ZINC000852135650 661854153 /nfs/dbraw/zinc/85/41/53/661854153.db2.gz QPRJPUPCJBXHCH-CYBMUJFWSA-N 1 1 380.246 2.828 20 5 GFBDMO CO[C@@H]1C[N@@H+](C)[C@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351710 662241766 /nfs/dbraw/zinc/24/17/66/662241766.db2.gz VINUWQGXVGEKCL-ZFWWWQNUSA-N 1 1 387.230 2.623 20 5 GFBDMO C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000866458045 662474567 /nfs/dbraw/zinc/47/45/67/662474567.db2.gz XMYFGBZMPQJKFB-PWSUYJOCSA-N 1 1 382.258 2.641 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839566 662838220 /nfs/dbraw/zinc/83/82/20/662838220.db2.gz WYYVOKJDUSIWGG-RYUDHWBXSA-N 1 1 386.221 2.805 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000881931853 663010192 /nfs/dbraw/zinc/01/01/92/663010192.db2.gz DGTLUSOEDPSHGP-RYUDHWBXSA-N 1 1 375.878 2.660 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000889715514 663258067 /nfs/dbraw/zinc/25/80/67/663258067.db2.gz FUCWSKHNQVEQIM-GXTWGEPZSA-N 1 1 397.273 2.593 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000889715516 663258154 /nfs/dbraw/zinc/25/81/54/663258154.db2.gz FUCWSKHNQVEQIM-OCCSQVGLSA-N 1 1 397.273 2.593 20 5 GFBDMO C[C@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C[NH+]1CCOCC1 ZINC000896501884 663559728 /nfs/dbraw/zinc/55/97/28/663559728.db2.gz QBHFWUZHAIAHET-SECBINFHSA-N 1 1 394.230 2.739 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928099259 664723036 /nfs/dbraw/zinc/72/30/36/664723036.db2.gz SPEBCKOWFJNJJJ-APHBMKBZSA-N 1 1 381.523 2.771 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928099259 664723038 /nfs/dbraw/zinc/72/30/38/664723038.db2.gz SPEBCKOWFJNJJJ-APHBMKBZSA-N 1 1 381.523 2.771 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000929714695 664756440 /nfs/dbraw/zinc/75/64/40/664756440.db2.gz NKBKLURRNPZUNR-ZDUSSCGKSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000929714695 664756443 /nfs/dbraw/zinc/75/64/43/664756443.db2.gz NKBKLURRNPZUNR-ZDUSSCGKSA-N 1 1 384.274 2.511 20 5 GFBDMO O=C([C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1)N1CCCC1 ZINC000930489420 664771679 /nfs/dbraw/zinc/77/16/79/664771679.db2.gz JURJGPDAWPIEOT-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1)N1CCCC1 ZINC000930489420 664771680 /nfs/dbraw/zinc/77/16/80/664771680.db2.gz JURJGPDAWPIEOT-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000933053257 664848244 /nfs/dbraw/zinc/84/82/44/664848244.db2.gz PFRCKBCMFRZAIL-CQSZACIVSA-N 1 1 385.258 2.863 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813793 720146269 /nfs/dbraw/zinc/14/62/69/720146269.db2.gz QQEMUMGKFALODT-FOIQADDNSA-N 1 1 385.468 2.656 20 5 GFBDMO CCOc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)ccc1[N+](=O)[O-] ZINC001164811135 720147418 /nfs/dbraw/zinc/14/74/18/720147418.db2.gz LRDDBGFEXCXZIZ-OXJNMPFZSA-N 1 1 390.484 2.573 20 5 GFBDMO c1cnc2c(c1)ccc1ccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742353 720652835 /nfs/dbraw/zinc/65/28/35/720652835.db2.gz MZZCZBPOSMLTFY-MOPGFXCFSA-N 1 1 398.470 2.915 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871466 721075400 /nfs/dbraw/zinc/07/54/00/721075400.db2.gz YYSXCMJTKVCCFO-HZPDHXFCSA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164795819 721528328 /nfs/dbraw/zinc/52/83/28/721528328.db2.gz SNJCNSVZIHOPII-NZSAHSFTSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001164795819 721528332 /nfs/dbraw/zinc/52/83/32/721528332.db2.gz SNJCNSVZIHOPII-NZSAHSFTSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164805387 721559789 /nfs/dbraw/zinc/55/97/89/721559789.db2.gz NDYHZINFVMQZSF-YSIASYRMSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164805387 721559792 /nfs/dbraw/zinc/55/97/92/721559792.db2.gz NDYHZINFVMQZSF-YSIASYRMSA-N 1 1 397.479 2.870 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@H]21 ZINC001165021513 721822539 /nfs/dbraw/zinc/82/25/39/721822539.db2.gz FXDJYPBDFGTQCY-LSBZLQRGSA-N 1 1 382.468 2.704 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000126136701 551326298 /nfs/dbraw/zinc/32/62/98/551326298.db2.gz JBVJQUNGPGVHMV-OLZOCXBDSA-N 1 1 382.258 2.974 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000173262045 552081690 /nfs/dbraw/zinc/08/16/90/552081690.db2.gz GXTCOFRACPNJAI-IAQYHMDHSA-N 1 1 389.905 2.907 20 5 GFBDMO C[N@H+](CCc1ccncc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000181452416 552257069 /nfs/dbraw/zinc/25/70/69/552257069.db2.gz ATZSEQGMKKRSBC-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO C[N@@H+](CCc1ccncc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000181452416 552257071 /nfs/dbraw/zinc/25/70/71/552257071.db2.gz ATZSEQGMKKRSBC-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370574556 563248696 /nfs/dbraw/zinc/24/86/96/563248696.db2.gz BGPXJDROKYAPIS-LLVKDONJSA-N 1 1 388.251 2.696 20 5 GFBDMO NS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000372741768 563315947 /nfs/dbraw/zinc/31/59/47/563315947.db2.gz OPDNSSJMSVZTFU-ZDUSSCGKSA-N 1 1 381.479 2.576 20 5 GFBDMO NS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000372741768 563315948 /nfs/dbraw/zinc/31/59/48/563315948.db2.gz OPDNSSJMSVZTFU-ZDUSSCGKSA-N 1 1 381.479 2.576 20 5 GFBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301373787 563401510 /nfs/dbraw/zinc/40/15/10/563401510.db2.gz USEYCFTZLWFPRI-OAHLLOKOSA-N 1 1 397.317 2.964 20 5 GFBDMO O=C([C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425455278 563423155 /nfs/dbraw/zinc/42/31/55/563423155.db2.gz GAEGGURVKNIPJM-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425455278 563423156 /nfs/dbraw/zinc/42/31/56/563423156.db2.gz GAEGGURVKNIPJM-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c(Cl)c1 ZINC000313335948 563437808 /nfs/dbraw/zinc/43/78/08/563437808.db2.gz HKLRLNNCDUSRII-HNNXBMFYSA-N 1 1 381.841 2.583 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@@H]2C1 ZINC000376664254 563450040 /nfs/dbraw/zinc/45/00/40/563450040.db2.gz OSURHJAIKIVQTH-TVQRCGJNSA-N 1 1 386.221 2.663 20 5 GFBDMO CSCCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000439482839 563726517 /nfs/dbraw/zinc/72/65/17/563726517.db2.gz YXFSJVVKWMCQGD-UHFFFAOYSA-N 1 1 376.276 2.981 20 5 GFBDMO CSCCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000439482839 563726521 /nfs/dbraw/zinc/72/65/21/563726521.db2.gz YXFSJVVKWMCQGD-UHFFFAOYSA-N 1 1 376.276 2.981 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000367258270 563838678 /nfs/dbraw/zinc/83/86/78/563838678.db2.gz BZESWJRDWXTEIB-UHFFFAOYSA-N 1 1 382.258 2.976 20 5 GFBDMO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421063 564186088 /nfs/dbraw/zinc/18/60/88/564186088.db2.gz KTAQWWGWKPJMJQ-FZMZJTMJSA-N 1 1 390.221 2.792 20 5 GFBDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421063 564186090 /nfs/dbraw/zinc/18/60/90/564186090.db2.gz KTAQWWGWKPJMJQ-FZMZJTMJSA-N 1 1 390.221 2.792 20 5 GFBDMO Cc1c(Br)c(N2CCC[C@H](C[NH+]3CCOCC3)C2)ncc1[N+](=O)[O-] ZINC000509491827 564302184 /nfs/dbraw/zinc/30/21/84/564302184.db2.gz BTUCQHMVEMKJGH-CYBMUJFWSA-N 1 1 399.289 2.609 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C3CCC3)s2)cc1 ZINC000543620727 564355990 /nfs/dbraw/zinc/35/59/90/564355990.db2.gz JSGZKUCPBQTNJF-UHFFFAOYSA-N 1 1 381.479 2.882 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000568802477 564435378 /nfs/dbraw/zinc/43/53/78/564435378.db2.gz DELMSTNJEKRASG-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000554921787 564777162 /nfs/dbraw/zinc/77/71/62/564777162.db2.gz APLKICXFMIORSK-GFCCVEGCSA-N 1 1 389.886 2.891 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[C@H]1O ZINC000554936131 564778039 /nfs/dbraw/zinc/77/80/39/564778039.db2.gz NYBVYVOBQAVOBJ-SMDDNHRTSA-N 1 1 390.221 2.792 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000531334619 564907319 /nfs/dbraw/zinc/90/73/19/564907319.db2.gz VFKYOYRQPXYLTQ-MRXNPFEDSA-N 1 1 383.857 2.829 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467400986 564962609 /nfs/dbraw/zinc/96/26/09/564962609.db2.gz NCCCPLCJWPVUHP-GFCCVEGCSA-N 1 1 383.495 2.764 20 5 GFBDMO NS(=O)(=O)C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536675869 565044336 /nfs/dbraw/zinc/04/43/36/565044336.db2.gz AYJTXDJCDHVUKQ-CQSZACIVSA-N 1 1 381.479 2.576 20 5 GFBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000619252712 565333123 /nfs/dbraw/zinc/33/31/23/565333123.db2.gz NULZLPNSXHRIBJ-QWHCGFSZSA-N 1 1 387.864 2.985 20 5 GFBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000601445872 565783649 /nfs/dbraw/zinc/78/36/49/565783649.db2.gz MLQWTEQCUGHCAV-ZDUSSCGKSA-N 1 1 394.280 2.616 20 5 GFBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000603987586 565921277 /nfs/dbraw/zinc/92/12/77/565921277.db2.gz QJBQPTIJMGVLMW-UHFFFAOYSA-N 1 1 389.905 2.991 20 5 GFBDMO CC[N@H+]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@@H]1C ZINC000611084705 566113926 /nfs/dbraw/zinc/11/39/26/566113926.db2.gz LNSDMAYFORAKRX-JTQLQIEISA-N 1 1 375.210 2.730 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599347 599060811 /nfs/dbraw/zinc/06/08/11/599060811.db2.gz PNUITFFXVBXLAG-ZDUSSCGKSA-N 1 1 396.455 2.634 20 5 GFBDMO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000820705983 599473285 /nfs/dbraw/zinc/47/32/85/599473285.db2.gz XFXDFRCGGDYSDH-STQMWFEESA-N 1 1 396.455 2.998 20 5 GFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCOc1cccc(-c3nn[nH]n3)c1)C2 ZINC000826499931 607943535 /nfs/dbraw/zinc/94/35/35/607943535.db2.gz FEIYVZSQDMZUBP-UHFFFAOYSA-N 1 1 380.408 2.602 20 5 GFBDMO C[C@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266283431 654868841 /nfs/dbraw/zinc/86/88/41/654868841.db2.gz UTWMUTAXTZJQIS-QWRGUYRKSA-N 1 1 377.413 2.510 20 5 GFBDMO C[C@H]1C[C@@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266283431 654868844 /nfs/dbraw/zinc/86/88/44/654868844.db2.gz UTWMUTAXTZJQIS-QWRGUYRKSA-N 1 1 377.413 2.510 20 5 GFBDMO C[N@@H+](Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000289328305 655346632 /nfs/dbraw/zinc/34/66/32/655346632.db2.gz HGSXGWUVWRCJQW-UHFFFAOYSA-N 1 1 396.296 2.757 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264670091 655468151 /nfs/dbraw/zinc/46/81/51/655468151.db2.gz WCDQQARRFXMRPV-QWHCGFSZSA-N 1 1 375.397 2.630 20 5 GFBDMO O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985375 655877882 /nfs/dbraw/zinc/87/78/82/655877882.db2.gz FDSNEGROSZGULS-QWRGUYRKSA-N 1 1 386.221 2.853 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000766206033 656165148 /nfs/dbraw/zinc/16/51/48/656165148.db2.gz CMHWNEGINRFZGF-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000766206033 656165149 /nfs/dbraw/zinc/16/51/49/656165149.db2.gz CMHWNEGINRFZGF-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO CC(C)N(CC[NH+](C)C)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000768490724 656239899 /nfs/dbraw/zinc/23/98/99/656239899.db2.gz ZJWSRRGPGZDHPU-UHFFFAOYSA-N 1 1 383.392 2.665 20 5 GFBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047027 660106887 /nfs/dbraw/zinc/10/68/87/660106887.db2.gz CSEAMQJFKIXQHI-JTQLQIEISA-N 1 1 381.857 2.786 20 5 GFBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047028 660106986 /nfs/dbraw/zinc/10/69/86/660106986.db2.gz CSEAMQJFKIXQHI-SNVBAGLBSA-N 1 1 381.857 2.786 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869233938 662636686 /nfs/dbraw/zinc/63/66/86/662636686.db2.gz QOPUGUGUKHAWPE-GFCCVEGCSA-N 1 1 384.274 2.889 20 5 GFBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663005 662784181 /nfs/dbraw/zinc/78/41/81/662784181.db2.gz KPKUYNDXXQEUTP-NWDGAFQWSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663005 662784183 /nfs/dbraw/zinc/78/41/83/662784183.db2.gz KPKUYNDXXQEUTP-NWDGAFQWSA-N 1 1 394.280 2.759 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000878709378 662903245 /nfs/dbraw/zinc/90/32/45/662903245.db2.gz LLXYCPLXOJPPTH-CQSZACIVSA-N 1 1 383.246 2.528 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000884955246 663079550 /nfs/dbraw/zinc/07/95/50/663079550.db2.gz RNYNXVAMEXXDJH-UWVGGRQHSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164723104 720357023 /nfs/dbraw/zinc/35/70/23/720357023.db2.gz GWZRBOUQTSQQBF-VXGBXAGGSA-N 1 1 395.250 2.940 20 5 GFBDMO O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164723104 720357032 /nfs/dbraw/zinc/35/70/32/720357032.db2.gz GWZRBOUQTSQQBF-VXGBXAGGSA-N 1 1 395.250 2.940 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785151 721406653 /nfs/dbraw/zinc/40/66/53/721406653.db2.gz LHCGKDGVTRBCNI-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164785151 721406655 /nfs/dbraw/zinc/40/66/55/721406655.db2.gz LHCGKDGVTRBCNI-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1 ZINC001165024821 721809550 /nfs/dbraw/zinc/80/95/50/721809550.db2.gz KQBRNPXKYWAJFP-SZMVWBNQSA-N 1 1 382.468 2.825 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000124403797 551314420 /nfs/dbraw/zinc/31/44/20/551314420.db2.gz KKWAVDSSWDFQTL-ABAIWWIYSA-N 1 1 382.258 2.914 20 5 GFBDMO C[NH+](C)Cc1ccccc1CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146569342 551397572 /nfs/dbraw/zinc/39/75/72/551397572.db2.gz CHITVTLRVGKINX-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO C[N@H+]1CC[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151622513 551418239 /nfs/dbraw/zinc/41/82/39/551418239.db2.gz VKSDICAHNBROGP-MRVPVSSYSA-N 1 1 376.638 2.692 20 5 GFBDMO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158144144 551547464 /nfs/dbraw/zinc/54/74/64/551547464.db2.gz ZWZDRULBKVVKFJ-UHFFFAOYSA-N 1 1 386.235 2.558 20 5 GFBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000158536940 551553485 /nfs/dbraw/zinc/55/34/85/551553485.db2.gz UDODTDQDWNSGGG-GFCCVEGCSA-N 1 1 387.889 2.886 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000164096102 551624211 /nfs/dbraw/zinc/62/42/11/551624211.db2.gz VXFWDBWZQDGUPD-IAQYHMDHSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H](c1ccccc1Br)[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000173583061 552088866 /nfs/dbraw/zinc/08/88/66/552088866.db2.gz ATZDGYRAUDXKCX-YPMHNXCESA-N 1 1 383.246 2.608 20 5 GFBDMO O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000176857782 552147496 /nfs/dbraw/zinc/14/74/96/552147496.db2.gz VNPKOABRABBGSB-UHFFFAOYSA-N 1 1 389.165 2.961 20 5 GFBDMO O=C(C[NH2+][C@@H](CO)c1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000183631212 552315217 /nfs/dbraw/zinc/31/52/17/552315217.db2.gz WOXCCWRFWYBKPT-HNNXBMFYSA-N 1 1 394.225 2.619 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248197920 553128184 /nfs/dbraw/zinc/12/81/84/553128184.db2.gz XRKBWHMZCOEPHM-IAQYHMDHSA-N 1 1 382.258 2.914 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)cc1 ZINC000261811707 553160008 /nfs/dbraw/zinc/16/00/08/553160008.db2.gz OWLXMQLORHUAOJ-INIZCTEOSA-N 1 1 381.841 2.583 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1cccs1 ZINC000369540571 563216102 /nfs/dbraw/zinc/21/61/02/563216102.db2.gz ORXRPIVAFGFNCN-MLGOLLRUSA-N 1 1 381.479 2.628 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)c1 ZINC000369783783 563224909 /nfs/dbraw/zinc/22/49/09/563224909.db2.gz WSDLUPYBHXCDNN-JKSUJKDBSA-N 1 1 395.257 2.752 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]21 ZINC000373180473 563331466 /nfs/dbraw/zinc/33/14/66/563331466.db2.gz USGDAPCDLOTMPR-QMTHXVAHSA-N 1 1 383.246 2.915 20 5 GFBDMO Cc1[nH+]ccn1CCNC(=O)Nc1cc(Br)cc([N+](=O)[O-])c1C ZINC000280711183 563351420 /nfs/dbraw/zinc/35/14/20/563351420.db2.gz IRPUKBUNAYGIEI-UHFFFAOYSA-N 1 1 382.218 2.992 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@H+]3CCC[C@H]3C2)c(Cl)cc1Cl ZINC000377887870 563490191 /nfs/dbraw/zinc/49/01/91/563490191.db2.gz HLKNTERWWUMBQA-JTQLQIEISA-N 1 1 394.280 2.760 20 5 GFBDMO C[N@H+]1CC[C@@H](CNc2c(Br)cncc2[N+](=O)[O-])[C@@H]1c1cccnc1 ZINC000377980623 563492767 /nfs/dbraw/zinc/49/27/67/563492767.db2.gz ANOVGZBMUWGWQB-LRDDRELGSA-N 1 1 392.257 2.674 20 5 GFBDMO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000292002094 563768990 /nfs/dbraw/zinc/76/89/90/563768990.db2.gz SUFRKXKMTSQLJB-NSHDSACASA-N 1 1 389.283 2.515 20 5 GFBDMO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000292002090 563769028 /nfs/dbraw/zinc/76/90/28/563769028.db2.gz SUFRKXKMTSQLJB-LLVKDONJSA-N 1 1 389.283 2.515 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cnc(C(F)(F)F)s2)cc1 ZINC000444001951 563817581 /nfs/dbraw/zinc/81/75/81/563817581.db2.gz MGQFQIZQWCJKCG-UHFFFAOYSA-N 1 1 395.384 2.634 20 5 GFBDMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1=O ZINC000368923698 563882443 /nfs/dbraw/zinc/88/24/43/563882443.db2.gz BRZYZIYNWIOUIO-INIZCTEOSA-N 1 1 382.258 2.802 20 5 GFBDMO CC(C)([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)c1ccccc1[N+](=O)[O-] ZINC000567592917 564379044 /nfs/dbraw/zinc/37/90/44/564379044.db2.gz KDKNHHILTTUCAW-UHFFFAOYSA-N 1 1 383.857 2.921 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462582269 564850367 /nfs/dbraw/zinc/85/03/67/564850367.db2.gz AVSOIABLOWAVIC-ZDUSSCGKSA-N 1 1 387.889 2.791 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000591845497 565241437 /nfs/dbraw/zinc/24/14/37/565241437.db2.gz TUCIJUBUPIIPGC-MRXNPFEDSA-N 1 1 397.317 2.569 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594790468 565421248 /nfs/dbraw/zinc/42/12/48/565421248.db2.gz LLNRWOYZLCFCPP-NSHDSACASA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793053 565421570 /nfs/dbraw/zinc/42/15/70/565421570.db2.gz TXAMVIMNLCCIMT-LBPRGKRZSA-N 1 1 389.905 2.955 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714814 565571951 /nfs/dbraw/zinc/57/19/51/565571951.db2.gz JUHMHZHSDVBQHN-QGZVFWFLSA-N 1 1 396.285 2.844 20 5 GFBDMO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)NCc1ccco1 ZINC000602591482 565856721 /nfs/dbraw/zinc/85/67/21/565856721.db2.gz BCDMNEKMWPRUAP-MRVPVSSYSA-N 1 1 388.243 2.806 20 5 GFBDMO CC(C)[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCC(=O)N1 ZINC000602695038 565863926 /nfs/dbraw/zinc/86/39/26/565863926.db2.gz VRBCGMXSRGKEFC-VIFPVBQESA-N 1 1 376.276 2.908 20 5 GFBDMO CC(C)[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@@H]1CCC(=O)N1 ZINC000602695038 565863927 /nfs/dbraw/zinc/86/39/27/565863927.db2.gz VRBCGMXSRGKEFC-VIFPVBQESA-N 1 1 376.276 2.908 20 5 GFBDMO CN1CCC([N@H+]2CC[C@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000609571049 566044761 /nfs/dbraw/zinc/04/47/61/566044761.db2.gz IXRAYBRUORDBEJ-ZDUSSCGKSA-N 1 1 383.290 2.938 20 5 GFBDMO C[NH+]1CCC(N2CC[C@H](Nc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000609571049 566044763 /nfs/dbraw/zinc/04/47/63/566044763.db2.gz IXRAYBRUORDBEJ-ZDUSSCGKSA-N 1 1 383.290 2.938 20 5 GFBDMO Cc1c(Br)c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000612438322 566162512 /nfs/dbraw/zinc/16/25/12/566162512.db2.gz MMIPDXLQWPHSJH-CYBMUJFWSA-N 1 1 399.289 2.752 20 5 GFBDMO Cc1c(Br)c(N2CCC[N@@H+](C[C@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000612438322 566162514 /nfs/dbraw/zinc/16/25/14/566162514.db2.gz MMIPDXLQWPHSJH-CYBMUJFWSA-N 1 1 399.289 2.752 20 5 GFBDMO CC(C)(C)[N@H+]1CCCN(c2cc(-c3nn[nH]n3)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000819922560 599502411 /nfs/dbraw/zinc/50/24/11/599502411.db2.gz MBUDMEVSGAETTB-UHFFFAOYSA-N 1 1 396.455 2.634 20 5 GFBDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820981687 599554651 /nfs/dbraw/zinc/55/46/51/599554651.db2.gz VPRRVNHRZNKCHX-ZDUSSCGKSA-N 1 1 396.455 3.000 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C2CC2)c1 ZINC000823648000 607176979 /nfs/dbraw/zinc/17/69/79/607176979.db2.gz RPFUPMKTGAPQMG-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO Cc1nc([N+](=O)[O-])c(Br)n1Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000817581236 660201500 /nfs/dbraw/zinc/20/15/00/660201500.db2.gz NXQHICNHGZDVSV-UHFFFAOYSA-N 1 1 395.257 2.743 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000827295943 660487891 /nfs/dbraw/zinc/48/78/91/660487891.db2.gz CISRDMPPWPPXRM-JOYOIKCWSA-N 1 1 386.221 2.663 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827633734 660506145 /nfs/dbraw/zinc/50/61/45/660506145.db2.gz COWLNWXLSAUFSA-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000827633734 660506147 /nfs/dbraw/zinc/50/61/47/660506147.db2.gz COWLNWXLSAUFSA-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000829572838 660601646 /nfs/dbraw/zinc/60/16/46/660601646.db2.gz ZMXHEZAXXLCUGI-NSHDSACASA-N 1 1 377.413 2.510 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000829572838 660601650 /nfs/dbraw/zinc/60/16/50/660601650.db2.gz ZMXHEZAXXLCUGI-NSHDSACASA-N 1 1 377.413 2.510 20 5 GFBDMO C[N@H+]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)[C@H](c2ccccc2)C1 ZINC000055018047 654767769 /nfs/dbraw/zinc/76/77/69/654767769.db2.gz PFTVZJINFWZQSR-AWEZNQCLSA-N 1 1 380.246 2.500 20 5 GFBDMO C[C@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@H+]1C1CC1 ZINC000267908115 654951460 /nfs/dbraw/zinc/95/14/60/654951460.db2.gz BYMHPGWUOFEGAR-WCBMZHEXSA-N 1 1 386.221 2.851 20 5 GFBDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267932760 654952691 /nfs/dbraw/zinc/95/26/91/654952691.db2.gz OSNIXOAKTBDPED-SECBINFHSA-N 1 1 386.221 2.711 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267928914 654952758 /nfs/dbraw/zinc/95/27/58/654952758.db2.gz NGJFUFHDBSIGGB-SNVBAGLBSA-N 1 1 388.237 2.910 20 5 GFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940699 654953343 /nfs/dbraw/zinc/95/33/43/654953343.db2.gz RXJLIQLSESAMMX-VXGBXAGGSA-N 1 1 386.221 2.853 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272533612 655115778 /nfs/dbraw/zinc/11/57/78/655115778.db2.gz RBJZRYWIPOYISU-ABAIWWIYSA-N 1 1 382.258 2.832 20 5 GFBDMO Cn1cc(C[N@H+]2CCCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)cn1 ZINC000110572418 655156876 /nfs/dbraw/zinc/15/68/76/655156876.db2.gz BNJVMNAXSVYOBR-UHFFFAOYSA-N 1 1 394.273 2.803 20 5 GFBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1cccc([N+](=O)[O-])c1Br ZINC000839573486 661093005 /nfs/dbraw/zinc/09/30/05/661093005.db2.gz BALYTFXNGYMDDO-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000119346197 655299962 /nfs/dbraw/zinc/29/99/62/655299962.db2.gz AEUQGAUEVREHNH-OAHLLOKOSA-N 1 1 381.479 2.772 20 5 GFBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596124137 655513930 /nfs/dbraw/zinc/51/39/30/655513930.db2.gz UQTBNNRAKJCLBR-AWEZNQCLSA-N 1 1 397.317 2.964 20 5 GFBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754993662 655878096 /nfs/dbraw/zinc/87/80/96/655878096.db2.gz JJNDTUOCDBJINO-UHFFFAOYSA-N 1 1 385.193 2.821 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000764402449 656109936 /nfs/dbraw/zinc/10/99/36/656109936.db2.gz NAICDRCKUHJRBS-MRVPVSSYSA-N 1 1 376.638 2.787 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000764402449 656109940 /nfs/dbraw/zinc/10/99/40/656109940.db2.gz NAICDRCKUHJRBS-MRVPVSSYSA-N 1 1 376.638 2.787 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000769894100 656297979 /nfs/dbraw/zinc/29/79/79/656297979.db2.gz VLDCXOWQMGSWSB-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO C[N@@H+]1CC=C(CNc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000775701333 656667740 /nfs/dbraw/zinc/66/77/40/656667740.db2.gz RSVOOIKAPLGDCB-UHFFFAOYSA-N 1 1 379.360 2.562 20 5 GFBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000777961021 656847109 /nfs/dbraw/zinc/84/71/09/656847109.db2.gz RKNMFXXWPLPXSQ-AWEZNQCLSA-N 1 1 387.458 2.685 20 5 GFBDMO C[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000783724029 657254599 /nfs/dbraw/zinc/25/45/99/657254599.db2.gz SOJXDKVHDRRRDQ-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000801715237 659419194 /nfs/dbraw/zinc/41/91/94/659419194.db2.gz BMNPPFGLJANSIC-CYBMUJFWSA-N 1 1 389.886 2.891 20 5 GFBDMO CC(C)[N@@H+]1CCO[C@@H](COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000802137483 659447609 /nfs/dbraw/zinc/44/76/09/659447609.db2.gz SCGLUYVGGFOOSK-GFCCVEGCSA-N 1 1 387.230 2.623 20 5 GFBDMO CC(C)[N@H+]1CCO[C@@H](COC(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000802137483 659447615 /nfs/dbraw/zinc/44/76/15/659447615.db2.gz SCGLUYVGGFOOSK-GFCCVEGCSA-N 1 1 387.230 2.623 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH2+]Cc2ccccc21 ZINC000842705524 661350343 /nfs/dbraw/zinc/35/03/43/661350343.db2.gz OWUJOCVHNJCBRJ-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO COC(=O)[C@@H]1C[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000844479986 661422692 /nfs/dbraw/zinc/42/26/92/661422692.db2.gz WMVZWHOQEZXGPT-QWHCGFSZSA-N 1 1 383.242 2.988 20 5 GFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000844479986 661422704 /nfs/dbraw/zinc/42/27/04/661422704.db2.gz WMVZWHOQEZXGPT-QWHCGFSZSA-N 1 1 383.242 2.988 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849411871 661718457 /nfs/dbraw/zinc/71/84/57/661718457.db2.gz WQSTXTIEVKRTSH-JTQLQIEISA-N 1 1 393.868 2.786 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000849412445 661718977 /nfs/dbraw/zinc/71/89/77/661718977.db2.gz OCRQHHPVPFUEFP-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849412445 661718982 /nfs/dbraw/zinc/71/89/82/661718982.db2.gz OCRQHHPVPFUEFP-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO O=C(OCC[NH+]1CCC1)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000861387096 662243387 /nfs/dbraw/zinc/24/33/87/662243387.db2.gz CYVRGLWEWIXYBZ-UHFFFAOYSA-N 1 1 385.207 2.950 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864907140 662390348 /nfs/dbraw/zinc/39/03/48/662390348.db2.gz VZSKQYAARIJBBL-OLZOCXBDSA-N 1 1 382.258 2.643 20 5 GFBDMO C[C@@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccnn1C ZINC000865837817 662446837 /nfs/dbraw/zinc/44/68/37/662446837.db2.gz BDQRSEXYBOAXMS-SECBINFHSA-N 1 1 386.193 2.784 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044058 662458337 /nfs/dbraw/zinc/45/83/37/662458337.db2.gz OOAVYFJQQKAGDT-RISCZKNCSA-N 1 1 384.274 2.698 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775866 662497214 /nfs/dbraw/zinc/49/72/14/662497214.db2.gz BEWIBWPXILPBLF-HIFRSBDPSA-N 1 1 396.285 2.843 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000883136191 663050299 /nfs/dbraw/zinc/05/02/99/663050299.db2.gz WWGKJYFGBUOEFR-NSHDSACASA-N 1 1 397.273 2.641 20 5 GFBDMO COC(=O)c1cc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])cn1C ZINC000883287857 663052357 /nfs/dbraw/zinc/05/23/57/663052357.db2.gz IMOZTWYIEAAXLB-UHFFFAOYSA-N 1 1 382.214 2.772 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000884955247 663079590 /nfs/dbraw/zinc/07/95/90/663079590.db2.gz RNYNXVAMEXXDJH-VHSXEESVSA-N 1 1 394.280 2.807 20 5 GFBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896211630 663545284 /nfs/dbraw/zinc/54/52/84/663545284.db2.gz VWZAAUSDAQZKSH-VIFPVBQESA-N 1 1 394.230 2.881 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630154 719086154 /nfs/dbraw/zinc/08/61/54/719086154.db2.gz VQBIXOXRPNTEIJ-NVXWUHKLSA-N 1 1 388.855 2.982 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807613 720080837 /nfs/dbraw/zinc/08/08/37/720080837.db2.gz GCWDAOLVXWHTEM-IERDGZPVSA-N 1 1 397.479 2.723 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815899 720135848 /nfs/dbraw/zinc/13/58/48/720135848.db2.gz XFALOKUGNOOKSL-QRWLVFNGSA-N 1 1 385.468 2.656 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c(Cl)c1 ZINC001164866850 721047585 /nfs/dbraw/zinc/04/75/85/721047585.db2.gz GHUXRKARBGJXFA-CVEARBPZSA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164767335 721108333 /nfs/dbraw/zinc/10/83/33/721108333.db2.gz MWWSSXLKWRUPDS-GJZGRUSLSA-N 1 1 390.875 2.643 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771878 721166697 /nfs/dbraw/zinc/16/66/97/721166697.db2.gz RQOOPGXPRLZDGS-MSOLQXFVSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164787506 721395681 /nfs/dbraw/zinc/39/56/81/721395681.db2.gz POGXSVBQXWSURO-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164787506 721395684 /nfs/dbraw/zinc/39/56/84/721395684.db2.gz POGXSVBQXWSURO-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001165025517 721815992 /nfs/dbraw/zinc/81/59/92/721815992.db2.gz NDFSJVCPKLZUTH-QGPMSJSTSA-N 1 1 382.468 2.704 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000063850910 551184236 /nfs/dbraw/zinc/18/42/36/551184236.db2.gz WLFFQWVXSAKAIM-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155267438 551495695 /nfs/dbraw/zinc/49/56/95/551495695.db2.gz XRKBWHMZCOEPHM-ABAIWWIYSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000175063307 552114671 /nfs/dbraw/zinc/11/46/71/552114671.db2.gz JKCZAAHIMDNNPJ-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@H]3CO)o2)c(Br)c1 ZINC000187671819 552421514 /nfs/dbraw/zinc/42/15/14/552421514.db2.gz OTXJBKUWYIPWPH-RYUDHWBXSA-N 1 1 397.225 2.545 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000369539350 563216695 /nfs/dbraw/zinc/21/66/95/563216695.db2.gz IAPKAXXKRVGUHP-LRDDRELGSA-N 1 1 381.479 2.628 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@H]1c1ccncc1 ZINC000423968637 563365857 /nfs/dbraw/zinc/36/58/57/563365857.db2.gz YUERQWUHBPRSEL-HNNXBMFYSA-N 1 1 391.225 2.539 20 5 GFBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425212549 563411336 /nfs/dbraw/zinc/41/13/36/563411336.db2.gz FDLWGWAOTOUZQF-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO C[C@]12CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284667919 563485420 /nfs/dbraw/zinc/48/54/20/563485420.db2.gz GTCBJNYHYMRGGX-GLQYFDAESA-N 1 1 375.252 2.850 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000408001171 563541049 /nfs/dbraw/zinc/54/10/49/563541049.db2.gz AVIAMLCLYAENOC-CMPLNLGQSA-N 1 1 382.258 2.974 20 5 GFBDMO C[N@H+](CCn1cc(Br)cn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000288925209 563662041 /nfs/dbraw/zinc/66/20/41/563662041.db2.gz VKRLSWVPKTVFND-UHFFFAOYSA-N 1 1 380.202 2.827 20 5 GFBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000288925209 563662043 /nfs/dbraw/zinc/66/20/43/563662043.db2.gz VKRLSWVPKTVFND-UHFFFAOYSA-N 1 1 380.202 2.827 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363517269 563725115 /nfs/dbraw/zinc/72/51/15/563725115.db2.gz ZOZXNLFHONBVRV-MNOVXSKESA-N 1 1 375.397 2.630 20 5 GFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340569 563749658 /nfs/dbraw/zinc/74/96/58/563749658.db2.gz SAKMJKUVYWTHNE-ZBFHGGJFSA-N 1 1 395.257 2.924 20 5 GFBDMO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)c1 ZINC000364340569 563749662 /nfs/dbraw/zinc/74/96/62/563749662.db2.gz SAKMJKUVYWTHNE-ZBFHGGJFSA-N 1 1 395.257 2.924 20 5 GFBDMO C[N@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447931731 563891293 /nfs/dbraw/zinc/89/12/93/563891293.db2.gz OYFLFLCNIUGKEK-CQSZACIVSA-N 1 1 375.878 2.647 20 5 GFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+](C)CCn1cc(Br)cn1 ZINC000581393384 564800787 /nfs/dbraw/zinc/80/07/87/564800787.db2.gz PGLAPWSRIZVPGD-NSHDSACASA-N 1 1 396.245 2.513 20 5 GFBDMO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000581393384 564800792 /nfs/dbraw/zinc/80/07/92/564800792.db2.gz PGLAPWSRIZVPGD-NSHDSACASA-N 1 1 396.245 2.513 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000461899705 564807723 /nfs/dbraw/zinc/80/77/23/564807723.db2.gz QIGQXSRDGNEQRC-CMPLNLGQSA-N 1 1 394.280 2.568 20 5 GFBDMO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)s1 ZINC000494220647 564819767 /nfs/dbraw/zinc/81/97/67/564819767.db2.gz RLOSRSLCGKTFTK-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Br)s1 ZINC000494220647 564819771 /nfs/dbraw/zinc/81/97/71/564819771.db2.gz RLOSRSLCGKTFTK-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462251304 564829417 /nfs/dbraw/zinc/82/94/17/564829417.db2.gz ABJPGQHAYYFSBC-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462251304 564829420 /nfs/dbraw/zinc/82/94/20/564829420.db2.gz ABJPGQHAYYFSBC-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000462523663 564845631 /nfs/dbraw/zinc/84/56/31/564845631.db2.gz FJVPYWAXWPEOKC-RYUDHWBXSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000462523663 564845638 /nfs/dbraw/zinc/84/56/38/564845638.db2.gz FJVPYWAXWPEOKC-RYUDHWBXSA-N 1 1 394.280 2.807 20 5 GFBDMO C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053487 564867880 /nfs/dbraw/zinc/86/78/80/564867880.db2.gz JHTXRSUKBVREDZ-BXKDBHETSA-N 1 1 381.230 2.996 20 5 GFBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000599838818 565704218 /nfs/dbraw/zinc/70/42/18/565704218.db2.gz BLIGXPZXUSJBGQ-VXGBXAGGSA-N 1 1 386.221 2.616 20 5 GFBDMO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370335 566127956 /nfs/dbraw/zinc/12/79/56/566127956.db2.gz CPMRCVSWGROZGF-UPJWGTAASA-N 1 1 387.527 2.901 20 5 GFBDMO C[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820726753 599109270 /nfs/dbraw/zinc/10/92/70/599109270.db2.gz BKUHPFZBCWECHN-HNNXBMFYSA-N 1 1 393.451 2.876 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000826500046 607524630 /nfs/dbraw/zinc/52/46/30/607524630.db2.gz JENXTUZHCRSYGH-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC1 ZINC000826500046 607524632 /nfs/dbraw/zinc/52/46/32/607524632.db2.gz JENXTUZHCRSYGH-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC1 ZINC000824770836 608864823 /nfs/dbraw/zinc/86/48/23/608864823.db2.gz NBAXAJDMCXCKHD-ZDUSSCGKSA-N 1 1 397.414 2.797 20 5 GFBDMO Cc1cc(NC(=O)c2cc([N+](=O)[O-])ncc2Br)cn2cc[nH+]c12 ZINC000818043301 660214708 /nfs/dbraw/zinc/21/47/08/660214708.db2.gz BISYFKHFLJFSKY-UHFFFAOYSA-N 1 1 376.170 2.961 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827264641 660486931 /nfs/dbraw/zinc/48/69/31/660486931.db2.gz CXSMYEXHSFYCRW-XHDPSFHLSA-N 1 1 382.258 2.832 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000123246359 654754250 /nfs/dbraw/zinc/75/42/50/654754250.db2.gz BGWFSRFKWSROGT-AWEZNQCLSA-N 1 1 387.458 2.685 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754987654 655877947 /nfs/dbraw/zinc/87/79/47/655877947.db2.gz LVBFEHDWKFSLKN-SNVBAGLBSA-N 1 1 388.237 2.957 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000791421712 658095426 /nfs/dbraw/zinc/09/54/26/658095426.db2.gz CJBYARFHGMVGFK-BDAKNGLRSA-N 1 1 394.280 2.805 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000791421712 658095438 /nfs/dbraw/zinc/09/54/38/658095438.db2.gz CJBYARFHGMVGFK-BDAKNGLRSA-N 1 1 394.280 2.805 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795858355 658861297 /nfs/dbraw/zinc/86/12/97/658861297.db2.gz WLVGWCZIFQRKKG-GHMZBOCLSA-N 1 1 393.868 2.881 20 5 GFBDMO CCC[N@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000804834825 659688390 /nfs/dbraw/zinc/68/83/90/659688390.db2.gz QEILOEYPQNKTLH-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000808326167 659888656 /nfs/dbraw/zinc/88/86/56/659888656.db2.gz NKTAPGACBOTRLQ-DOMZBBRYSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@@H]1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000808326167 659888658 /nfs/dbraw/zinc/88/86/58/659888658.db2.gz NKTAPGACBOTRLQ-DOMZBBRYSA-N 1 1 381.479 2.598 20 5 GFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)NCC1CCC1 ZINC000811478676 660009919 /nfs/dbraw/zinc/00/99/19/660009919.db2.gz VHRYHHLYTDMRJN-UHFFFAOYSA-N 1 1 396.296 2.711 20 5 GFBDMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000816952260 660174320 /nfs/dbraw/zinc/17/43/20/660174320.db2.gz GNWNJZNQIZADNZ-UFBFGSQYSA-N 1 1 388.649 2.787 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722783 661351243 /nfs/dbraw/zinc/35/12/43/661351243.db2.gz UGNZGOJOWZNLPS-ZDUSSCGKSA-N 1 1 382.825 2.573 20 5 GFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000846123434 661533765 /nfs/dbraw/zinc/53/37/65/661533765.db2.gz RSBJDHAOPWGQEV-NWDGAFQWSA-N 1 1 383.242 2.988 20 5 GFBDMO C[C@@H]1C[NH+](CCN2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C[C@@H](C)O1 ZINC000852022168 661849523 /nfs/dbraw/zinc/84/95/23/661849523.db2.gz OIFJEJKBSXYZPF-CHWSQXEVSA-N 1 1 398.301 2.825 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC([NH+]2CCOCC2)CC1 ZINC000862214259 662273899 /nfs/dbraw/zinc/27/38/99/662273899.db2.gz LTXFJFFOXADMSF-UHFFFAOYSA-N 1 1 388.251 2.838 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000864907139 662390359 /nfs/dbraw/zinc/39/03/59/662390359.db2.gz VZSKQYAARIJBBL-CHWSQXEVSA-N 1 1 382.258 2.643 20 5 GFBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000864958529 662392478 /nfs/dbraw/zinc/39/24/78/662392478.db2.gz PXWMVHBAGQGBFE-UHFFFAOYSA-N 1 1 381.230 2.611 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000865034111 662395823 /nfs/dbraw/zinc/39/58/23/662395823.db2.gz RZXNNJJDLAVHAE-CYBMUJFWSA-N 1 1 384.274 2.746 20 5 GFBDMO O=[N+]([O-])c1c(Br)cccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000866120180 662461036 /nfs/dbraw/zinc/46/10/36/662461036.db2.gz SFLLGWBEZTYHJH-UHFFFAOYSA-N 1 1 392.257 2.512 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@H]21 ZINC000867809184 662578214 /nfs/dbraw/zinc/57/82/14/662578214.db2.gz QCKJJZPWUAEWGZ-BXKDBHETSA-N 1 1 394.280 2.616 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725905 663261146 /nfs/dbraw/zinc/26/11/46/663261146.db2.gz RGLVTIYCOOPLJN-RISCZKNCSA-N 1 1 399.289 2.839 20 5 GFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000923263552 664626938 /nfs/dbraw/zinc/62/69/38/664626938.db2.gz HHMAAIYRKPPYCK-QWHCGFSZSA-N 1 1 382.258 2.595 20 5 GFBDMO C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C[C@]2(C)C1 ZINC000930545362 664772802 /nfs/dbraw/zinc/77/28/02/664772802.db2.gz VLQHYMQDRZJDPR-BMIGLBTASA-N 1 1 383.246 2.773 20 5 GFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cccc([N+](=O)[O-])n1)CC2 ZINC001164712940 720104937 /nfs/dbraw/zinc/10/49/37/720104937.db2.gz YZWRVORRSKGRCC-GOSISDBHSA-N 1 1 397.479 2.892 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811096 720108212 /nfs/dbraw/zinc/10/82/12/720108212.db2.gz LJIFZLVQFDMZSF-KKSFZXQISA-N 1 1 397.479 2.723 20 5 GFBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164795456 721499514 /nfs/dbraw/zinc/49/95/14/721499514.db2.gz HOMXGKPABOTGRN-UHFFFAOYSA-N 1 1 382.468 2.848 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982511 722124519 /nfs/dbraw/zinc/12/45/19/722124519.db2.gz WVKOIBBBNUAFOY-MOPGFXCFSA-N 1 1 397.479 2.729 20 5 GFBDMO O=C(C[N@@H+](CCCCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152520947 551435018 /nfs/dbraw/zinc/43/50/18/551435018.db2.gz XORKXYDVIFGVNX-UHFFFAOYSA-N 1 1 386.246 2.533 20 5 GFBDMO O=C(C[N@H+](CCCCO)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000152520947 551435019 /nfs/dbraw/zinc/43/50/19/551435019.db2.gz XORKXYDVIFGVNX-UHFFFAOYSA-N 1 1 386.246 2.533 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155067735 551490693 /nfs/dbraw/zinc/49/06/93/551490693.db2.gz QEEIQUDTSWYROK-LBPRGKRZSA-N 1 1 384.274 2.700 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728709 552145129 /nfs/dbraw/zinc/14/51/29/552145129.db2.gz IRGQCJZJCXWQKG-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180048526 552210964 /nfs/dbraw/zinc/21/09/64/552210964.db2.gz IBHYGELHLHYEPX-ZDUSSCGKSA-N 1 1 389.905 2.909 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)c1 ZINC000246645430 553111193 /nfs/dbraw/zinc/11/11/93/553111193.db2.gz CNRSAWALEUYQRV-HZPDHXFCSA-N 1 1 395.257 2.752 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@@H]3CO)o2)c(Br)c1 ZINC000370398085 563242843 /nfs/dbraw/zinc/24/28/43/563242843.db2.gz OTXJBKUWYIPWPH-VXGBXAGGSA-N 1 1 397.225 2.545 20 5 GFBDMO CC(C)([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000419739673 563249107 /nfs/dbraw/zinc/24/91/07/563249107.db2.gz ARUVQAQOUJJWBB-UHFFFAOYSA-N 1 1 383.857 2.921 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000425455380 563423037 /nfs/dbraw/zinc/42/30/37/563423037.db2.gz ABMDVGTWCNDAJH-BPLDGKMQSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000425455380 563423039 /nfs/dbraw/zinc/42/30/39/563423039.db2.gz ABMDVGTWCNDAJH-BPLDGKMQSA-N 1 1 385.258 2.719 20 5 GFBDMO O=C([C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425455279 563423105 /nfs/dbraw/zinc/42/31/05/563423105.db2.gz GAEGGURVKNIPJM-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1)N1CCCC1 ZINC000425455279 563423108 /nfs/dbraw/zinc/42/31/08/563423108.db2.gz GAEGGURVKNIPJM-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000425455382 563423177 /nfs/dbraw/zinc/42/31/77/563423177.db2.gz ABMDVGTWCNDAJH-NWANDNLSSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000425455382 563423179 /nfs/dbraw/zinc/42/31/79/563423179.db2.gz ABMDVGTWCNDAJH-NWANDNLSSA-N 1 1 385.258 2.719 20 5 GFBDMO Cc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)n(C)n1 ZINC000289946856 563692233 /nfs/dbraw/zinc/69/22/33/563692233.db2.gz UQTTUOIEVURFEQ-UHFFFAOYSA-N 1 1 386.193 2.531 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363157930 563715820 /nfs/dbraw/zinc/71/58/20/563715820.db2.gz PTYPBGCGORQWHI-MAZHCROVSA-N 1 1 394.269 2.914 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085115 563736124 /nfs/dbraw/zinc/73/61/24/563736124.db2.gz ZIGZBAQYCZGUOA-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO CCC[N@H+](Cc1ccccc1Br)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441278076 563756959 /nfs/dbraw/zinc/75/69/59/563756959.db2.gz QNQKJULSGZFKLB-HNNXBMFYSA-N 1 1 397.273 2.827 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+](CCCCO)C2CC2)c1 ZINC000571889348 564571814 /nfs/dbraw/zinc/57/18/14/564571814.db2.gz OVTVTCLOLAVXFT-UHFFFAOYSA-N 1 1 390.221 2.936 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457092075 564646378 /nfs/dbraw/zinc/64/63/78/564646378.db2.gz NITFJMQPRJMBEB-CQSZACIVSA-N 1 1 384.274 2.841 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000462158548 564824822 /nfs/dbraw/zinc/82/48/22/564824822.db2.gz MPMDUHAPILNOOR-QMMMGPOBSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000462158548 564824827 /nfs/dbraw/zinc/82/48/27/564824827.db2.gz MPMDUHAPILNOOR-QMMMGPOBSA-N 1 1 382.269 2.663 20 5 GFBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462291733 564831835 /nfs/dbraw/zinc/83/18/35/564831835.db2.gz RYHISKBZNHXHKO-UHFFFAOYSA-N 1 1 382.269 2.618 20 5 GFBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000462291733 564831837 /nfs/dbraw/zinc/83/18/37/564831837.db2.gz RYHISKBZNHXHKO-UHFFFAOYSA-N 1 1 382.269 2.618 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000462441965 564840315 /nfs/dbraw/zinc/84/03/15/564840315.db2.gz QHGNLZXVIGUWSQ-VIFPVBQESA-N 1 1 394.280 2.664 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000462441965 564840317 /nfs/dbraw/zinc/84/03/17/564840317.db2.gz QHGNLZXVIGUWSQ-VIFPVBQESA-N 1 1 394.280 2.664 20 5 GFBDMO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462494437 564843427 /nfs/dbraw/zinc/84/34/27/564843427.db2.gz MAPFEQLGAKUFLR-JTQLQIEISA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462494437 564843429 /nfs/dbraw/zinc/84/34/29/564843429.db2.gz MAPFEQLGAKUFLR-JTQLQIEISA-N 1 1 382.269 2.616 20 5 GFBDMO CC[N@@H+]1CCC[C@@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309140 565160603 /nfs/dbraw/zinc/16/06/03/565160603.db2.gz DSVVCBYKLZEMEP-CYBMUJFWSA-N 1 1 389.237 2.773 20 5 GFBDMO CC[N@H+]1CCC[C@@H]1CNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000589309140 565160608 /nfs/dbraw/zinc/16/06/08/565160608.db2.gz DSVVCBYKLZEMEP-CYBMUJFWSA-N 1 1 389.237 2.773 20 5 GFBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252710 565333177 /nfs/dbraw/zinc/33/31/77/565333177.db2.gz NULZLPNSXHRIBJ-CHWSQXEVSA-N 1 1 387.864 2.985 20 5 GFBDMO C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973723 565438520 /nfs/dbraw/zinc/43/85/20/565438520.db2.gz DNZWMVDFEJTNQZ-YPMHNXCESA-N 1 1 381.479 2.774 20 5 GFBDMO O=C(NCCc1ccc([N+](=O)[O-])cc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000595250472 565458379 /nfs/dbraw/zinc/45/83/79/565458379.db2.gz SXFRKDGZKYQRRT-UHFFFAOYSA-N 1 1 396.266 2.995 20 5 GFBDMO Cc1noc(C[NH2+]C(C)(C)COc2ncccc2Br)c1[N+](=O)[O-] ZINC000595406570 565475166 /nfs/dbraw/zinc/47/51/66/565475166.db2.gz DKQJYTWZLGPLLL-UHFFFAOYSA-N 1 1 385.218 2.996 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599115026 565657121 /nfs/dbraw/zinc/65/71/21/565657121.db2.gz PYUUIFJHTZFADR-JTQLQIEISA-N 1 1 381.230 2.928 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000601185738 565770485 /nfs/dbraw/zinc/77/04/85/565770485.db2.gz SYLCVPFNNWSHFI-LLVKDONJSA-N 1 1 395.257 2.824 20 5 GFBDMO CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602491648 565850829 /nfs/dbraw/zinc/85/08/29/565850829.db2.gz CHXMDFXASCGPNG-JTQLQIEISA-N 1 1 376.276 2.719 20 5 GFBDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602491648 565850832 /nfs/dbraw/zinc/85/08/32/565850832.db2.gz CHXMDFXASCGPNG-JTQLQIEISA-N 1 1 376.276 2.719 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000612576216 566167265 /nfs/dbraw/zinc/16/72/65/566167265.db2.gz ZBEJSXPJHJTDHL-OAHLLOKOSA-N 1 1 382.825 2.745 20 5 GFBDMO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000820711412 599477738 /nfs/dbraw/zinc/47/77/38/599477738.db2.gz YQDFDYHFISFWHH-QWHCGFSZSA-N 1 1 396.455 2.855 20 5 GFBDMO O=[N+]([O-])c1cccc2c1CC[N@H+](Cc1cn3ccccc3c1-c1nn[nH]n1)C2 ZINC000826499861 607943543 /nfs/dbraw/zinc/94/35/43/607943543.db2.gz BEYFOBDBCSOVMC-UHFFFAOYSA-N 1 1 375.392 2.586 20 5 GFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](Cc1cn3ccccc3c1-c1nn[nH]n1)C2 ZINC000826499861 607943544 /nfs/dbraw/zinc/94/35/44/607943544.db2.gz BEYFOBDBCSOVMC-UHFFFAOYSA-N 1 1 375.392 2.586 20 5 GFBDMO COCC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157642 608567129 /nfs/dbraw/zinc/56/71/29/608567129.db2.gz FKIXTCQCPDHVPF-GQCTYLIASA-N 1 1 394.435 2.937 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000272533614 655115865 /nfs/dbraw/zinc/11/58/65/655115865.db2.gz RBJZRYWIPOYISU-IAQYHMDHSA-N 1 1 382.258 2.832 20 5 GFBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cccc([N+](=O)[O-])c3Br)[C@H]2C1 ZINC000839610490 661095514 /nfs/dbraw/zinc/09/55/14/661095514.db2.gz OXDPBTUIRGUCFV-LSDHHAIUSA-N 1 1 384.274 2.652 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1Br ZINC000839609448 661095619 /nfs/dbraw/zinc/09/56/19/661095619.db2.gz AWSLDVSTZUKZNU-NFAWXSAZSA-N 1 1 385.258 2.719 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000120138079 655329031 /nfs/dbraw/zinc/32/90/31/655329031.db2.gz ADLNYABQBAHZFD-ZDUSSCGKSA-N 1 1 389.905 2.895 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522384 655352044 /nfs/dbraw/zinc/35/20/44/655352044.db2.gz WKJXTEFRBHZQKK-ZBFHGGJFSA-N 1 1 382.873 2.672 20 5 GFBDMO CO[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C[C@H]1O ZINC000449573585 655410516 /nfs/dbraw/zinc/41/05/16/655410516.db2.gz SQHZOIDYROMRTL-GDBMZVCRSA-N 1 1 397.225 2.809 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000246149485 655429291 /nfs/dbraw/zinc/42/92/91/655429291.db2.gz OVTQSXJXBSMVEW-GXTWGEPZSA-N 1 1 389.905 2.907 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000262206817 655444460 /nfs/dbraw/zinc/44/44/60/655444460.db2.gz LEELBWMDZCREBO-LLVKDONJSA-N 1 1 381.841 2.935 20 5 GFBDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027581 655456375 /nfs/dbraw/zinc/45/63/75/655456375.db2.gz RELFOPLCQNIINM-QWRGUYRKSA-N 1 1 389.237 2.724 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1CN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000768192846 656234405 /nfs/dbraw/zinc/23/44/05/656234405.db2.gz UXGUVBUYZBCDJF-ZDUSSCGKSA-N 1 1 384.274 2.654 20 5 GFBDMO Cc1cccc(NCCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[nH+]1 ZINC000769908762 656299791 /nfs/dbraw/zinc/29/97/91/656299791.db2.gz YTUGWUWZGQSTPD-UHFFFAOYSA-N 1 1 384.845 2.650 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c2c1CN(CC[N@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000792899003 658326986 /nfs/dbraw/zinc/32/69/86/658326986.db2.gz BAWPGQRRYWRWNC-BETUJISGSA-N 1 1 396.285 2.579 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c2c1CN(CC[N@@H+]1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC000792899003 658327001 /nfs/dbraw/zinc/32/70/01/658327001.db2.gz BAWPGQRRYWRWNC-BETUJISGSA-N 1 1 396.285 2.579 20 5 GFBDMO CC[N@@H+](C[C@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795430526 658817704 /nfs/dbraw/zinc/81/77/04/658817704.db2.gz ZMHUUJJNYOIDMP-LLVKDONJSA-N 1 1 398.257 2.629 20 5 GFBDMO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440404 658819244 /nfs/dbraw/zinc/81/92/44/658819244.db2.gz UBRVKPNUOXAPKH-PWSUYJOCSA-N 1 1 398.257 2.506 20 5 GFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440404 658819246 /nfs/dbraw/zinc/81/92/46/658819246.db2.gz UBRVKPNUOXAPKH-PWSUYJOCSA-N 1 1 398.257 2.506 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795773683 658848841 /nfs/dbraw/zinc/84/88/41/658848841.db2.gz CWKXPWUSPRMZCL-NSHDSACASA-N 1 1 393.868 2.930 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@H]1C ZINC000795858357 658861180 /nfs/dbraw/zinc/86/11/80/658861180.db2.gz WLVGWCZIFQRKKG-MNOVXSKESA-N 1 1 393.868 2.881 20 5 GFBDMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000803545970 659588307 /nfs/dbraw/zinc/58/83/07/659588307.db2.gz UIZMXWGUNUSMOD-OAHLLOKOSA-N 1 1 382.258 2.726 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c(Cl)cc1Cl ZINC000809815355 659941322 /nfs/dbraw/zinc/94/13/22/659941322.db2.gz FBBYQQUNBCGEKP-JTQLQIEISA-N 1 1 394.280 2.664 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@H+]1C ZINC000809821103 659943116 /nfs/dbraw/zinc/94/31/16/659943116.db2.gz HWZSHNXAZJOJLK-RKDXNWHRSA-N 1 1 382.269 2.663 20 5 GFBDMO CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811476496 660009790 /nfs/dbraw/zinc/00/97/90/660009790.db2.gz VHQXGZYRALTJCM-UHFFFAOYSA-N 1 1 384.285 2.709 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815018715 660102137 /nfs/dbraw/zinc/10/21/37/660102137.db2.gz YZMMGZGHDNXFRE-GWCFXTLKSA-N 1 1 393.868 2.738 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000865605565 662432020 /nfs/dbraw/zinc/43/20/20/662432020.db2.gz WWYALKWMKIMAAW-ZDUSSCGKSA-N 1 1 382.258 2.500 20 5 GFBDMO NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865631715 662432979 /nfs/dbraw/zinc/43/29/79/662432979.db2.gz HNJHHSANTLVYQX-CYBMUJFWSA-N 1 1 387.267 2.820 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775868 662497251 /nfs/dbraw/zinc/49/72/51/662497251.db2.gz BEWIBWPXILPBLF-ZFWWWQNUSA-N 1 1 396.285 2.843 20 5 GFBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869416626 662645990 /nfs/dbraw/zinc/64/59/90/662645990.db2.gz QKOOMCDTFUBSKJ-ZDUSSCGKSA-N 1 1 384.274 2.748 20 5 GFBDMO C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051918 662754858 /nfs/dbraw/zinc/75/48/58/662754858.db2.gz LOMPKXLRQIGULG-LLVKDONJSA-N 1 1 387.458 2.767 20 5 GFBDMO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000872076654 662755393 /nfs/dbraw/zinc/75/53/93/662755393.db2.gz PEWCVHBKUANBNI-GFCCVEGCSA-N 1 1 388.511 2.561 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827150 662837677 /nfs/dbraw/zinc/83/76/77/662837677.db2.gz CAGRGZFEVJHSJZ-CABCVRRESA-N 1 1 382.258 2.974 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000881933067 663010287 /nfs/dbraw/zinc/01/02/87/663010287.db2.gz KFPOIHDFBHMHOZ-YPMHNXCESA-N 1 1 375.878 2.517 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000881933066 663010342 /nfs/dbraw/zinc/01/03/42/663010342.db2.gz KFPOIHDFBHMHOZ-WCQYABFASA-N 1 1 375.878 2.517 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000882022971 663013944 /nfs/dbraw/zinc/01/39/44/663013944.db2.gz TUGHWJWXKMELDP-LLVKDONJSA-N 1 1 388.237 2.655 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1Cl ZINC000884957227 663079649 /nfs/dbraw/zinc/07/96/49/663079649.db2.gz MWQPGJKNILWOLN-NXEZZACHSA-N 1 1 394.280 2.807 20 5 GFBDMO C[N@H+]1CCCC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000896447354 663558054 /nfs/dbraw/zinc/55/80/54/663558054.db2.gz UUZVWXMEUOKTKU-GFCCVEGCSA-N 1 1 399.289 2.888 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219746 663595114 /nfs/dbraw/zinc/59/51/14/663595114.db2.gz NOHJSBVHOURSGW-STQMWFEESA-N 1 1 388.237 2.532 20 5 GFBDMO Cn1cc(C[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)c([N+](=O)[O-])n1 ZINC000932813701 664839789 /nfs/dbraw/zinc/83/97/89/664839789.db2.gz COJJFLZWUCSOSW-MRXNPFEDSA-N 1 1 395.257 2.574 20 5 GFBDMO Cn1cc(C[N@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)c([N+](=O)[O-])n1 ZINC000932813701 664839790 /nfs/dbraw/zinc/83/97/90/664839790.db2.gz COJJFLZWUCSOSW-MRXNPFEDSA-N 1 1 395.257 2.574 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000933053380 664848174 /nfs/dbraw/zinc/84/81/74/664848174.db2.gz RDZBUWNNJOSATA-LBPRGKRZSA-N 1 1 385.258 2.863 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812359 720072808 /nfs/dbraw/zinc/07/28/08/720072808.db2.gz QTLXWXKJYGYBCP-KSSFIOAISA-N 1 1 380.876 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cnc2c1 ZINC001164722162 720351140 /nfs/dbraw/zinc/35/11/40/720351140.db2.gz FGXZCHJCBDSRQX-OALUTQOASA-N 1 1 376.420 2.786 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164766369 721108355 /nfs/dbraw/zinc/10/83/55/721108355.db2.gz KTTRFEMQVMUHEG-QZTJIDSGSA-N 1 1 392.463 2.835 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@@H]3C2)cn1 ZINC001164771880 721168613 /nfs/dbraw/zinc/16/86/13/721168613.db2.gz RQOOPGXPRLZDGS-ROUUACIJSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1ccccc1-c1ccc(N2CC[NH+](CCc3ccccn3)CC2)nn1 ZINC001165055609 722018919 /nfs/dbraw/zinc/01/89/19/722018919.db2.gz RILHYSBGHXHVEZ-UHFFFAOYSA-N 1 1 390.447 2.812 20 5 GFBDMO Cc1c(C)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-] ZINC001164971380 722124526 /nfs/dbraw/zinc/12/45/26/722124526.db2.gz BSDFNUYILYJDFA-QUCCMNQESA-N 1 1 397.479 2.729 20 5 GFBDMO Cc1nn(CCC(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)c(C)c1[N+](=O)[O-] ZINC000359871718 212120985 /nfs/dbraw/zinc/12/09/85/212120985.db2.gz NJGKZEIDYSVLKL-UHFFFAOYSA-N 1 1 386.456 2.605 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000124721842 551317089 /nfs/dbraw/zinc/31/70/89/551317089.db2.gz ULXNMLSPEFEGRV-LLVKDONJSA-N 1 1 382.258 2.500 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000125986190 551325159 /nfs/dbraw/zinc/32/51/59/551325159.db2.gz JYDCRUOTFPDURW-BBRMVZONSA-N 1 1 395.257 2.752 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176723675 552144589 /nfs/dbraw/zinc/14/45/89/552144589.db2.gz GFYMQCZNJLFPKH-VXGBXAGGSA-N 1 1 375.878 2.660 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728181 552145264 /nfs/dbraw/zinc/14/52/64/552145264.db2.gz DVBIUDWDYCSKQO-CYBMUJFWSA-N 1 1 389.905 2.909 20 5 GFBDMO O=C(C[NH2+][C@@H](CO)c1cccc(Br)c1)Nc1ccccc1[N+](=O)[O-] ZINC000183889354 552321924 /nfs/dbraw/zinc/32/19/24/552321924.db2.gz QBKSWMHQCFITCA-AWEZNQCLSA-N 1 1 394.225 2.619 20 5 GFBDMO [NH3+]C[C@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000238025700 553084959 /nfs/dbraw/zinc/08/49/59/553084959.db2.gz MJOFJJHZDBZOOM-LDYMZIIASA-N 1 1 382.269 2.697 20 5 GFBDMO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301247822 563397812 /nfs/dbraw/zinc/39/78/12/563397812.db2.gz LQORNHBQUHRWIZ-LLVKDONJSA-N 1 1 377.413 2.877 20 5 GFBDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301247822 563397814 /nfs/dbraw/zinc/39/78/14/563397814.db2.gz LQORNHBQUHRWIZ-LLVKDONJSA-N 1 1 377.413 2.877 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301567906 563407636 /nfs/dbraw/zinc/40/76/36/563407636.db2.gz WBWSELFKZBDTKD-NSHDSACASA-N 1 1 389.237 2.977 20 5 GFBDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2c(Br)cncc2[N+](=O)[O-])C1 ZINC000301933248 563416301 /nfs/dbraw/zinc/41/63/01/563416301.db2.gz PSIARAHUNGAAIJ-LLVKDONJSA-N 1 1 380.246 2.945 20 5 GFBDMO C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462074 563423581 /nfs/dbraw/zinc/42/35/81/563423581.db2.gz VYMIYRTVPOTUSC-DOMZBBRYSA-N 1 1 384.274 2.652 20 5 GFBDMO Cc1cc(Br)ccc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000444710275 563835748 /nfs/dbraw/zinc/83/57/48/563835748.db2.gz UVAUWGGTINFQAE-UHFFFAOYSA-N 1 1 380.242 2.959 20 5 GFBDMO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000564854113 564253055 /nfs/dbraw/zinc/25/30/55/564253055.db2.gz JAIVOQWDYDZYEH-SNVBAGLBSA-N 1 1 377.344 2.600 20 5 GFBDMO CCc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000567769361 564387355 /nfs/dbraw/zinc/38/73/55/564387355.db2.gz ALQQECCEZSCFMM-MRXNPFEDSA-N 1 1 383.495 2.800 20 5 GFBDMO CCOC(=O)CC[N@@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568802548 564435495 /nfs/dbraw/zinc/43/54/95/564435495.db2.gz FPYGKNXOYROBNE-UHFFFAOYSA-N 1 1 392.193 2.584 20 5 GFBDMO [NH3+][C@H]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602015 564450345 /nfs/dbraw/zinc/45/03/45/564450345.db2.gz CZWQSDXNQSPVDL-WPRPVWTQSA-N 1 1 382.269 2.697 20 5 GFBDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456383905 564604925 /nfs/dbraw/zinc/60/49/25/564604925.db2.gz PWXFNHWQPXTEGY-CYBMUJFWSA-N 1 1 384.274 2.843 20 5 GFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000552882818 564703703 /nfs/dbraw/zinc/70/37/03/564703703.db2.gz AYYOTHUQQYKVRC-TXEJJXNPSA-N 1 1 375.878 2.789 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000553883016 564743325 /nfs/dbraw/zinc/74/33/25/564743325.db2.gz LHQRTKCBDMMWJP-ZDUSSCGKSA-N 1 1 387.458 2.685 20 5 GFBDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554946263 564779233 /nfs/dbraw/zinc/77/92/33/564779233.db2.gz IEBWGLHWXRKDRF-SNVBAGLBSA-N 1 1 378.210 2.792 20 5 GFBDMO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292443 564831792 /nfs/dbraw/zinc/83/17/92/564831792.db2.gz CTCSACNJLOTSKT-VIFPVBQESA-N 1 1 384.285 2.910 20 5 GFBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292443 564831794 /nfs/dbraw/zinc/83/17/94/564831794.db2.gz CTCSACNJLOTSKT-VIFPVBQESA-N 1 1 384.285 2.910 20 5 GFBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500144985 564947056 /nfs/dbraw/zinc/94/70/56/564947056.db2.gz KFJACYWAQGPGRC-LBPRGKRZSA-N 1 1 375.878 2.791 20 5 GFBDMO CN(C)C(=O)C[NH+]1CCC(Nc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000587974550 565122760 /nfs/dbraw/zinc/12/27/60/565122760.db2.gz FDGHOLRJVGFZIK-UHFFFAOYSA-N 1 1 375.256 2.866 20 5 GFBDMO C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415620 565677176 /nfs/dbraw/zinc/67/71/76/565677176.db2.gz PTEYOJGBLQNVNU-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO C[N@H+]1CCCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000599415620 565677179 /nfs/dbraw/zinc/67/71/79/565677179.db2.gz PTEYOJGBLQNVNU-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO Cc1noc(C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000599573805 565690367 /nfs/dbraw/zinc/69/03/67/565690367.db2.gz YGJHJYJOQZKDOF-MRXNPFEDSA-N 1 1 396.241 2.663 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3COCC[NH2+]3)o2)c(Br)c1 ZINC000600775237 565748840 /nfs/dbraw/zinc/74/88/40/565748840.db2.gz MHWNCDRMJDLDCX-NSHDSACASA-N 1 1 396.241 2.695 20 5 GFBDMO CCc1[nH+]ccn1Cc1cn(Cc2ccc(Br)cc2[N+](=O)[O-])nn1 ZINC000603240058 565890981 /nfs/dbraw/zinc/89/09/81/565890981.db2.gz QCHDNVQAQGAFFZ-UHFFFAOYSA-N 1 1 391.229 2.804 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000603975906 565921086 /nfs/dbraw/zinc/92/10/86/565921086.db2.gz NRTNRWZCPJRMGR-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135166 566068259 /nfs/dbraw/zinc/06/82/59/566068259.db2.gz LWFGSBSDSAUNPN-WCQYABFASA-N 1 1 375.878 2.742 20 5 GFBDMO Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCc3cccc([N+](=O)[O-])c3)c2c1 ZINC000822196511 599500427 /nfs/dbraw/zinc/50/04/27/599500427.db2.gz LVOYQEQEUQRKHQ-UHFFFAOYSA-N 1 1 375.392 2.974 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820665792 606199316 /nfs/dbraw/zinc/19/93/16/606199316.db2.gz GTDHLXBJDKUVIQ-HIFRSBDPSA-N 1 1 394.439 2.635 20 5 GFBDMO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668772 606875353 /nfs/dbraw/zinc/87/53/53/606875353.db2.gz WELBVAPBBAEXTQ-HIFRSBDPSA-N 1 1 379.424 2.850 20 5 GFBDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 ZINC000825624974 660435172 /nfs/dbraw/zinc/43/51/72/660435172.db2.gz UOPPBGWQKBOPGY-UHFFFAOYSA-N 1 1 385.262 2.699 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827264639 660486891 /nfs/dbraw/zinc/48/68/91/660486891.db2.gz CXSMYEXHSFYCRW-IAQYHMDHSA-N 1 1 382.258 2.832 20 5 GFBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000484 654892204 /nfs/dbraw/zinc/89/22/04/654892204.db2.gz KFJASHFKIHNBLH-UHFFFAOYSA-N 1 1 383.495 2.975 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1F ZINC000135164626 655011036 /nfs/dbraw/zinc/01/10/36/655011036.db2.gz YWTYDHCQQSPVMX-HNNXBMFYSA-N 1 1 396.216 2.855 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000154291177 655074832 /nfs/dbraw/zinc/07/48/32/655074832.db2.gz MGBKNCAICMPKLM-ZDUSSCGKSA-N 1 1 387.458 2.685 20 5 GFBDMO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839529487 661090151 /nfs/dbraw/zinc/09/01/51/661090151.db2.gz RPRPTIFRXYEXLM-UHFFFAOYSA-N 1 1 399.333 2.815 20 5 GFBDMO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839529487 661090155 /nfs/dbraw/zinc/09/01/55/661090155.db2.gz RPRPTIFRXYEXLM-UHFFFAOYSA-N 1 1 399.333 2.815 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1Br ZINC000839528421 661090200 /nfs/dbraw/zinc/09/02/00/661090200.db2.gz RNUSPKKPGWXGCH-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1Br ZINC000839528421 661090207 /nfs/dbraw/zinc/09/02/07/661090207.db2.gz RNUSPKKPGWXGCH-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO COC(=O)C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2Br)CCCOC1 ZINC000839561469 661091994 /nfs/dbraw/zinc/09/19/94/661091994.db2.gz SOCMTCOWNAACLV-OAHLLOKOSA-N 1 1 387.230 2.559 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119762782 655314221 /nfs/dbraw/zinc/31/42/21/655314221.db2.gz YVRHKMZBQLHLQN-KBPBESRZSA-N 1 1 387.527 2.931 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000119767656 655314433 /nfs/dbraw/zinc/31/44/33/655314433.db2.gz XOPJEKQBLROMGN-AWEZNQCLSA-N 1 1 381.479 2.599 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cs1 ZINC000119767656 655314434 /nfs/dbraw/zinc/31/44/34/655314434.db2.gz XOPJEKQBLROMGN-AWEZNQCLSA-N 1 1 381.479 2.599 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000292819425 655354819 /nfs/dbraw/zinc/35/48/19/655354819.db2.gz NVBZZSQCEOIPCI-INIZCTEOSA-N 1 1 387.889 2.663 20 5 GFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985370 655877811 /nfs/dbraw/zinc/87/78/11/655877811.db2.gz FDSNEGROSZGULS-MNOVXSKESA-N 1 1 386.221 2.853 20 5 GFBDMO CCC[N@@H+](CC)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755021594 655878606 /nfs/dbraw/zinc/87/86/06/655878606.db2.gz MRUHZJZJJWNYQD-UHFFFAOYSA-N 1 1 376.226 2.958 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000775596092 656653477 /nfs/dbraw/zinc/65/34/77/656653477.db2.gz REPNSQBEULHOCN-NSHDSACASA-N 1 1 375.878 2.567 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000779874372 656952022 /nfs/dbraw/zinc/95/20/22/656952022.db2.gz PDYYDOOIGNEYFB-GFCCVEGCSA-N 1 1 375.878 2.709 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000779891999 656956659 /nfs/dbraw/zinc/95/66/59/656956659.db2.gz DSYQONHPSUYKHE-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO C[N@H+]1CCC[C@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790770537 658021440 /nfs/dbraw/zinc/02/14/40/658021440.db2.gz RLVFIOSPQUGPHA-NSHDSACASA-N 1 1 397.273 2.519 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCS(=O)(=O)CCc1ccccc1 ZINC000800311212 659300370 /nfs/dbraw/zinc/30/03/70/659300370.db2.gz LVDOWUSVNCSNGT-UHFFFAOYSA-N 1 1 382.869 2.995 20 5 GFBDMO CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809816647 659941600 /nfs/dbraw/zinc/94/16/00/659941600.db2.gz MLZUGXFOVMFYAL-SNVBAGLBSA-N 1 1 394.280 2.759 20 5 GFBDMO CN([C@@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809816647 659941602 /nfs/dbraw/zinc/94/16/02/659941602.db2.gz MLZUGXFOVMFYAL-SNVBAGLBSA-N 1 1 394.280 2.759 20 5 GFBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000809860552 659950405 /nfs/dbraw/zinc/95/04/05/659950405.db2.gz RBWZFEUABUCJSN-GFCCVEGCSA-N 1 1 377.894 2.955 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000814990025 660100305 /nfs/dbraw/zinc/10/03/05/660100305.db2.gz YEVTWDZADIMCFK-WDEREUQCSA-N 1 1 393.868 2.929 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000881933065 663010303 /nfs/dbraw/zinc/01/03/03/663010303.db2.gz KFPOIHDFBHMHOZ-DGCLKSJQSA-N 1 1 375.878 2.517 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000883148893 663050402 /nfs/dbraw/zinc/05/04/02/663050402.db2.gz NNEZTDRPOHFJNP-KGLIPLIRSA-N 1 1 397.273 2.783 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447595 663558039 /nfs/dbraw/zinc/55/80/39/663558039.db2.gz ZAHGCVZNDKSQNA-KGLIPLIRSA-N 1 1 397.273 2.735 20 5 GFBDMO O=C(c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000897577976 663612127 /nfs/dbraw/zinc/61/21/27/663612127.db2.gz DSHFKJXWGMPJPC-UHFFFAOYSA-N 1 1 388.186 2.726 20 5 GFBDMO C[C@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000903326848 663782164 /nfs/dbraw/zinc/78/21/64/663782164.db2.gz URZLRRVDHKCJFW-XPTSAGLGSA-N 1 1 391.225 2.966 20 5 GFBDMO C[N@H+]1CC[C@@H](Cc2nc(Cc3ccc([N+](=O)[O-])cc3Br)no2)C1 ZINC000904020561 663817776 /nfs/dbraw/zinc/81/77/76/663817776.db2.gz SBOMKIZXHIZGHR-JTQLQIEISA-N 1 1 381.230 2.825 20 5 GFBDMO O=C1N[C@H](C2CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)CO1 ZINC000932769538 664836465 /nfs/dbraw/zinc/83/64/65/664836465.db2.gz JUEIXLBCFZKKLK-ZDUSSCGKSA-N 1 1 384.230 2.678 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000933437755 664863986 /nfs/dbraw/zinc/86/39/86/664863986.db2.gz FWIAVKFYRUZYDG-GWCFXTLKSA-N 1 1 399.289 2.742 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164618475 719067909 /nfs/dbraw/zinc/06/79/09/719067909.db2.gz AUVMREUGGDZNMZ-MAUKXSAKSA-N 1 1 383.408 2.999 20 5 GFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164627155 719077870 /nfs/dbraw/zinc/07/78/70/719077870.db2.gz PNEBCMCPGIPYIY-DLBZAZTESA-N 1 1 383.452 2.803 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806790 720071284 /nfs/dbraw/zinc/07/12/84/720071284.db2.gz DGWSPQAFRGJOKD-KBXCAEBGSA-N 1 1 380.876 2.828 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164766368 721109203 /nfs/dbraw/zinc/10/92/03/721109203.db2.gz KTTRFEMQVMUHEG-MSOLQXFVSA-N 1 1 392.463 2.835 20 5 GFBDMO C[C@@H]1C[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000153026440 551444692 /nfs/dbraw/zinc/44/46/92/551444692.db2.gz GKDMHNJKGVHXCU-DGCLKSJQSA-N 1 1 384.274 2.841 20 5 GFBDMO Cc1cc(N2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000191572837 552531921 /nfs/dbraw/zinc/53/19/21/552531921.db2.gz HKBAOPKSOZKZLG-ZDUSSCGKSA-N 1 1 384.274 2.824 20 5 GFBDMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246138379 553102683 /nfs/dbraw/zinc/10/26/83/553102683.db2.gz FAZOZTYVNJQZPU-RISCZKNCSA-N 1 1 382.258 2.595 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247101232 553118685 /nfs/dbraw/zinc/11/86/85/553118685.db2.gz QAUUARFCVBDKAR-WFASDCNBSA-N 1 1 387.889 2.661 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@H]21 ZINC000248420536 553129194 /nfs/dbraw/zinc/12/91/94/553129194.db2.gz XDTGULFKSJZLEL-WCQYABFASA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248549057 553131465 /nfs/dbraw/zinc/13/14/65/553131465.db2.gz KAHJCRWYJUUFGU-STQMWFEESA-N 1 1 387.889 2.661 20 5 GFBDMO CCc1ccc([C@H]2C[NH2+]CCN2S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000261794022 553159301 /nfs/dbraw/zinc/15/93/01/553159301.db2.gz VFASBLVFLFUOOY-CQSZACIVSA-N 1 1 381.479 2.554 20 5 GFBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)c1 ZINC000262269117 553168677 /nfs/dbraw/zinc/16/86/77/553168677.db2.gz KGOWZLYIBRONFT-INIZCTEOSA-N 1 1 381.841 2.583 20 5 GFBDMO O=C(C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)NC1CC1 ZINC000263830454 553194380 /nfs/dbraw/zinc/19/43/80/553194380.db2.gz VEBPEHDIZBFTLH-UHFFFAOYSA-N 1 1 394.225 2.986 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H](O)C[C@@H]3CO)o2)c(Br)c1 ZINC000370398082 563242361 /nfs/dbraw/zinc/24/23/61/563242361.db2.gz OTXJBKUWYIPWPH-NEPJUHHUSA-N 1 1 397.225 2.545 20 5 GFBDMO CC1(C)C[NH2+]CC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420470625 563265054 /nfs/dbraw/zinc/26/50/54/563265054.db2.gz XIZXDBSSSYMEHV-NSHDSACASA-N 1 1 382.269 2.568 20 5 GFBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425034 563421739 /nfs/dbraw/zinc/42/17/39/563421739.db2.gz SXASKZZZZUXVHW-TZMCWYRMSA-N 1 1 382.258 2.848 20 5 GFBDMO C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000425671870 563430838 /nfs/dbraw/zinc/43/08/38/563430838.db2.gz JGXAGIDRAHQLMW-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO O=[N+]([O-])c1nn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1Br ZINC000284340056 563471845 /nfs/dbraw/zinc/47/18/45/563471845.db2.gz VGLWREQPYGRJBT-CQSZACIVSA-N 1 1 395.257 2.845 20 5 GFBDMO CC[N@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000330563122 563510990 /nfs/dbraw/zinc/51/09/90/563510990.db2.gz JURMAPWUJLTJGZ-VXGBXAGGSA-N 1 1 399.289 2.710 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000286014649 563545858 /nfs/dbraw/zinc/54/58/58/563545858.db2.gz OSNATWXJNNWODG-UHFFFAOYSA-N 1 1 390.824 2.603 20 5 GFBDMO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365539520 563786156 /nfs/dbraw/zinc/78/61/56/563786156.db2.gz PZRFOVKVSAYLHG-YDHLFZDLSA-N 1 1 394.269 2.914 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000366536515 563812662 /nfs/dbraw/zinc/81/26/62/563812662.db2.gz RUVKOGLAUHJVSO-MRXNPFEDSA-N 1 1 382.258 2.834 20 5 GFBDMO C[C@H]1c2cccc(Br)c2CC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465782 564300645 /nfs/dbraw/zinc/30/06/45/564300645.db2.gz TZVBJDZLNBTHKD-WCQYABFASA-N 1 1 395.257 2.534 20 5 GFBDMO C[C@H]1c2cccc(Br)c2CC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000509465782 564300648 /nfs/dbraw/zinc/30/06/48/564300648.db2.gz TZVBJDZLNBTHKD-WCQYABFASA-N 1 1 395.257 2.534 20 5 GFBDMO Cn1cc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312648 564453245 /nfs/dbraw/zinc/45/32/45/564453245.db2.gz VPVBEIMWSBMIKV-AAEUAGOBSA-N 1 1 383.250 2.561 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])s1)N1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548153847 564533333 /nfs/dbraw/zinc/53/33/33/564533333.db2.gz WASKDCAHJDCCJI-UHFFFAOYSA-N 1 1 397.254 2.776 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462494056 564843490 /nfs/dbraw/zinc/84/34/90/564843490.db2.gz XEBMJTSKESYLCR-WPRPVWTQSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462494056 564843494 /nfs/dbraw/zinc/84/34/94/564843494.db2.gz XEBMJTSKESYLCR-WPRPVWTQSA-N 1 1 382.269 2.663 20 5 GFBDMO CN(C)CC1([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000558475362 564902436 /nfs/dbraw/zinc/90/24/36/564902436.db2.gz GPAVBUQLLRPBGA-UHFFFAOYSA-N 1 1 389.237 2.773 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@@H+](C)CCN2C)no1 ZINC000583864031 564911081 /nfs/dbraw/zinc/91/10/81/564911081.db2.gz QTBYNQNGDSWOTQ-CYBMUJFWSA-N 1 1 396.245 2.634 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1-c1nc([C@H]2C[N@H+](C)CCN2C)no1 ZINC000583864031 564911083 /nfs/dbraw/zinc/91/10/83/564911083.db2.gz QTBYNQNGDSWOTQ-CYBMUJFWSA-N 1 1 396.245 2.634 20 5 GFBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000500157521 564946923 /nfs/dbraw/zinc/94/69/23/564946923.db2.gz OCUMEJQIUHYYGL-LBPRGKRZSA-N 1 1 375.878 2.791 20 5 GFBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000536675868 565044398 /nfs/dbraw/zinc/04/43/98/565044398.db2.gz AYJTXDJCDHVUKQ-AWEZNQCLSA-N 1 1 381.479 2.576 20 5 GFBDMO Cc1cc(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000601335861 565776601 /nfs/dbraw/zinc/77/66/01/565776601.db2.gz YXRNYPGJVASYSJ-UHFFFAOYSA-N 1 1 375.516 2.706 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(NC[C@H]3CCCn4cc[nH+]c43)cc(-c3nn[nH]n3)c2c1 ZINC000826499268 607558550 /nfs/dbraw/zinc/55/85/50/607558550.db2.gz BWTIXDQPLOYSFZ-LLVKDONJSA-N 1 1 391.395 2.509 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1 ZINC000823646959 607177038 /nfs/dbraw/zinc/17/70/38/607177038.db2.gz DVGJZHXXCWKSHK-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO O=[N+]([O-])c1cccc2c1CC[N@@H+](CCCOc1ccc(-c3nn[nH]n3)cc1)C2 ZINC000826500193 607943350 /nfs/dbraw/zinc/94/33/50/607943350.db2.gz OAXPMXZGXFJABZ-UHFFFAOYSA-N 1 1 380.408 2.602 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822517 654821896 /nfs/dbraw/zinc/82/18/96/654821896.db2.gz XRTUCWQJGZLKEX-AAEUAGOBSA-N 1 1 387.527 2.896 20 5 GFBDMO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451593 654962604 /nfs/dbraw/zinc/96/26/04/654962604.db2.gz JWBXKSPSMMLABF-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(Br)cn1 ZINC000068451593 654962607 /nfs/dbraw/zinc/96/26/07/654962607.db2.gz JWBXKSPSMMLABF-UHFFFAOYSA-N 1 1 393.241 2.865 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1cccs1 ZINC000101568765 655044062 /nfs/dbraw/zinc/04/40/62/655044062.db2.gz PLSGNQXOVHKOAF-GFCCVEGCSA-N 1 1 389.886 2.891 20 5 GFBDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000152115368 655056447 /nfs/dbraw/zinc/05/64/47/655056447.db2.gz PHNNKHRBEOCDFX-UHFFFAOYSA-N 1 1 383.857 2.625 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113945143 655216259 /nfs/dbraw/zinc/21/62/59/655216259.db2.gz LQABRIXGWWFRLF-KGLIPLIRSA-N 1 1 387.527 2.931 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000119378519 655301485 /nfs/dbraw/zinc/30/14/85/655301485.db2.gz XXYIKRLADOHKFM-UHFFFAOYSA-N 1 1 381.479 2.553 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cs1 ZINC000119378519 655301486 /nfs/dbraw/zinc/30/14/86/655301486.db2.gz XXYIKRLADOHKFM-UHFFFAOYSA-N 1 1 381.479 2.553 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522383 655352033 /nfs/dbraw/zinc/35/20/33/655352033.db2.gz WKJXTEFRBHZQKK-HOCLYGCPSA-N 1 1 382.873 2.672 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000294125314 655365291 /nfs/dbraw/zinc/36/52/91/655365291.db2.gz MAVKETHWGYVXTL-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000596129659 655514031 /nfs/dbraw/zinc/51/40/31/655514031.db2.gz VXDZFRRBZQPLAH-ZDUSSCGKSA-N 1 1 383.290 2.574 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000784719547 657323696 /nfs/dbraw/zinc/32/36/96/657323696.db2.gz CBGSBJMMZARICT-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1ccc(NC2CC[NH+](CC(=O)N(C)C)CC2)c([N+](=O)[O-])c1Br ZINC000804444632 659648139 /nfs/dbraw/zinc/64/81/39/659648139.db2.gz AAXIIHQAWUKTAO-UHFFFAOYSA-N 1 1 399.289 2.630 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@@H]1C ZINC000809808387 659940351 /nfs/dbraw/zinc/94/03/51/659940351.db2.gz QZNUFCQXMXBGBM-WDEREUQCSA-N 1 1 393.868 2.929 20 5 GFBDMO C[C@]1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000846026359 661525396 /nfs/dbraw/zinc/52/53/96/661525396.db2.gz UXNKQUZLUAHXQQ-INIZCTEOSA-N 1 1 381.479 2.599 20 5 GFBDMO C[C@]1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846026359 661525403 /nfs/dbraw/zinc/52/54/03/661525403.db2.gz UXNKQUZLUAHXQQ-INIZCTEOSA-N 1 1 381.479 2.599 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849418777 661720249 /nfs/dbraw/zinc/72/02/49/661720249.db2.gz HMTSQHSBYLXXBM-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000865718098 662438677 /nfs/dbraw/zinc/43/86/77/662438677.db2.gz VEMFXIYGGAHXFI-CYBMUJFWSA-N 1 1 382.258 2.595 20 5 GFBDMO C[C@H]([NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)c1ccnn1C ZINC000865837818 662446866 /nfs/dbraw/zinc/44/68/66/662446866.db2.gz BDQRSEXYBOAXMS-VIFPVBQESA-N 1 1 386.193 2.784 20 5 GFBDMO CC[C@@H]1C[N@H+](C)CCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000865926593 662451942 /nfs/dbraw/zinc/45/19/42/662451942.db2.gz WNBZQKNLXWINTN-LLVKDONJSA-N 1 1 377.413 2.512 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000865926593 662451944 /nfs/dbraw/zinc/45/19/44/662451944.db2.gz WNBZQKNLXWINTN-LLVKDONJSA-N 1 1 377.413 2.512 20 5 GFBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncc(Br)cn2)n1 ZINC000903321222 663781695 /nfs/dbraw/zinc/78/16/95/663781695.db2.gz ZHCAVAFGEODHMU-VXGBXAGGSA-N 1 1 381.234 2.617 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813794 720146628 /nfs/dbraw/zinc/14/66/28/720146628.db2.gz QQEMUMGKFALODT-MGPUTAFESA-N 1 1 385.468 2.656 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])cc1N)CC2 ZINC001164836496 720710529 /nfs/dbraw/zinc/71/05/29/720710529.db2.gz BMAREJXIYAOJIJ-SFHVURJKSA-N 1 1 397.479 2.832 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870903 721046324 /nfs/dbraw/zinc/04/63/24/721046324.db2.gz XJQMUJCVHAOPOA-HOTGVXAUSA-N 1 1 389.843 2.518 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c(Cl)c1 ZINC001164866851 721047996 /nfs/dbraw/zinc/04/79/96/721047996.db2.gz GHUXRKARBGJXFA-HOTGVXAUSA-N 1 1 389.843 2.518 20 5 GFBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2 ZINC001164873723 721325454 /nfs/dbraw/zinc/32/54/54/721325454.db2.gz ATASYBYHWFYAIU-UHFFFAOYSA-N 1 1 389.790 2.823 20 5 GFBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1cc([N+](=O)[O-])cc[n+]1[O-])CC2 ZINC001164793164 721489976 /nfs/dbraw/zinc/48/99/76/721489976.db2.gz OHLQKHLOGSCMHR-UHFFFAOYSA-N 1 1 383.452 2.504 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164795855 721528455 /nfs/dbraw/zinc/52/84/55/721528455.db2.gz TVZHMWGGJWJYEE-QYZOEREBSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164795855 721528458 /nfs/dbraw/zinc/52/84/58/721528458.db2.gz TVZHMWGGJWJYEE-QYZOEREBSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165027302 721829359 /nfs/dbraw/zinc/82/93/59/721829359.db2.gz RVNAGPXHZGOFPM-RYQLBKOJSA-N 1 1 382.468 2.825 20 5 GFBDMO COc1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164952990 722016297 /nfs/dbraw/zinc/01/62/97/722016297.db2.gz QIOZZJKTPCLEGN-UHFFFAOYSA-N 1 1 383.452 2.886 20 5 GFBDMO CC[N@@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000015164179 551110791 /nfs/dbraw/zinc/11/07/91/551110791.db2.gz IVOKDHMNNCOCKI-SNVBAGLBSA-N 1 1 381.376 2.785 20 5 GFBDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000015164179 551110793 /nfs/dbraw/zinc/11/07/93/551110793.db2.gz IVOKDHMNNCOCKI-SNVBAGLBSA-N 1 1 381.376 2.785 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000178772590 552174888 /nfs/dbraw/zinc/17/48/88/552174888.db2.gz DSCPYOOGIJYRKR-ZDUSSCGKSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000178772590 552174890 /nfs/dbraw/zinc/17/48/90/552174890.db2.gz DSCPYOOGIJYRKR-ZDUSSCGKSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1cnc([C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)s1 ZINC000185327168 552360881 /nfs/dbraw/zinc/36/08/81/552360881.db2.gz YHVMSTXTFLJGGL-HNNXBMFYSA-N 1 1 381.479 2.874 20 5 GFBDMO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000236678687 553070228 /nfs/dbraw/zinc/07/02/28/553070228.db2.gz SHMJKXTUHJSREB-UHFFFAOYSA-N 1 1 383.495 2.975 20 5 GFBDMO CC1(C)C[NH2+]CC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420470624 563265209 /nfs/dbraw/zinc/26/52/09/563265209.db2.gz XIZXDBSSSYMEHV-LLVKDONJSA-N 1 1 382.269 2.568 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000279529088 563299457 /nfs/dbraw/zinc/29/94/57/563299457.db2.gz UIHJMBQNAUCVBA-JTQLQIEISA-N 1 1 396.296 2.864 20 5 GFBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000427981451 563479640 /nfs/dbraw/zinc/47/96/40/563479640.db2.gz FLOMWMLEJPHKJL-UHFFFAOYSA-N 1 1 381.234 2.567 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000408001175 563541160 /nfs/dbraw/zinc/54/11/60/563541160.db2.gz AVIAMLCLYAENOC-ZYHUDNBSSA-N 1 1 382.258 2.974 20 5 GFBDMO CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438842527 563712375 /nfs/dbraw/zinc/71/23/75/563712375.db2.gz SAHLEEKTFVVYLG-MRXNPFEDSA-N 1 1 397.273 2.825 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363117028 563714957 /nfs/dbraw/zinc/71/49/57/563714957.db2.gz CQPGIYGLPLSJGX-PJODQICGSA-N 1 1 394.269 2.914 20 5 GFBDMO C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440359677 563739930 /nfs/dbraw/zinc/73/99/30/563739930.db2.gz WODRACMGOBYOSB-BDAKNGLRSA-N 1 1 382.269 2.568 20 5 GFBDMO C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552732 563847179 /nfs/dbraw/zinc/84/71/79/563847179.db2.gz HXMDAXFJLWMGCI-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552732 563847184 /nfs/dbraw/zinc/84/71/84/563847184.db2.gz HXMDAXFJLWMGCI-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259647 563861755 /nfs/dbraw/zinc/86/17/55/563861755.db2.gz ZBTGMKJHNRTJAD-GFCCVEGCSA-N 1 1 384.274 2.700 20 5 GFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)n1 ZINC000368474794 563871727 /nfs/dbraw/zinc/87/17/27/563871727.db2.gz PQDGZLYZHNUZFY-OAHLLOKOSA-N 1 1 395.257 2.924 20 5 GFBDMO CC1=CC[N@@H+](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000546589029 564460137 /nfs/dbraw/zinc/46/01/37/564460137.db2.gz ZHMQMBOGPGZCMI-UHFFFAOYSA-N 1 1 382.258 2.668 20 5 GFBDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000456383907 564604295 /nfs/dbraw/zinc/60/42/95/564604295.db2.gz PWXFNHWQPXTEGY-ZDUSSCGKSA-N 1 1 384.274 2.843 20 5 GFBDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000553336450 564716387 /nfs/dbraw/zinc/71/63/87/564716387.db2.gz STSVXCIDNHDFJY-AWEZNQCLSA-N 1 1 384.274 2.890 20 5 GFBDMO CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462251305 564829537 /nfs/dbraw/zinc/82/95/37/564829537.db2.gz ABJPGQHAYYFSBC-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462251305 564829539 /nfs/dbraw/zinc/82/95/39/564829539.db2.gz ABJPGQHAYYFSBC-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO NS(=O)(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000537637422 565060403 /nfs/dbraw/zinc/06/04/03/565060403.db2.gz JVLZAZXNWWRFAT-LBPRGKRZSA-N 1 1 381.479 2.576 20 5 GFBDMO C[C@@H]1[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C[N@H+]1C ZINC000593188458 565318792 /nfs/dbraw/zinc/31/87/92/565318792.db2.gz HXHFNSAFYQFFNL-TUAOUCFPSA-N 1 1 384.274 2.839 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595827437 565492042 /nfs/dbraw/zinc/49/20/42/565492042.db2.gz QACPYVAAUVTPCV-RYUDHWBXSA-N 1 1 388.205 2.668 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595827437 565492037 /nfs/dbraw/zinc/49/20/37/565492037.db2.gz QACPYVAAUVTPCV-RYUDHWBXSA-N 1 1 388.205 2.668 20 5 GFBDMO O=[N+]([O-])c1cnc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c(Br)c1 ZINC000596514718 565526174 /nfs/dbraw/zinc/52/61/74/565526174.db2.gz AGLLDIZWWLUSOL-ZIAGYGMSSA-N 1 1 397.273 2.808 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1c(Br)cccc1[N+](=O)[O-] ZINC000599115027 565656560 /nfs/dbraw/zinc/65/65/60/565656560.db2.gz PYUUIFJHTZFADR-SNVBAGLBSA-N 1 1 381.230 2.928 20 5 GFBDMO Cc1c(Br)c(N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000603401209 565902571 /nfs/dbraw/zinc/90/25/71/565902571.db2.gz JIGQGUILVXBGCU-NSHDSACASA-N 1 1 399.289 2.750 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000603658873 565913244 /nfs/dbraw/zinc/91/32/44/565913244.db2.gz KCFSDJZTGXMIEI-NWDGAFQWSA-N 1 1 389.905 2.955 20 5 GFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738368970 598944713 /nfs/dbraw/zinc/94/47/13/598944713.db2.gz GSLHHFCDKRZCIT-INIZCTEOSA-N 1 1 379.424 2.851 20 5 GFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290963 598976644 /nfs/dbraw/zinc/97/66/44/598976644.db2.gz SMBZBSYTPBJKQD-HNNXBMFYSA-N 1 1 393.451 2.876 20 5 GFBDMO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820571448 599561673 /nfs/dbraw/zinc/56/16/73/599561673.db2.gz YREFBDMKHWELNP-HNNXBMFYSA-N 1 1 393.451 2.654 20 5 GFBDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000820571327 599569149 /nfs/dbraw/zinc/56/91/49/599569149.db2.gz YHPUGMJQXNYAIP-CQSZACIVSA-N 1 1 379.424 2.658 20 5 GFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399411 607553221 /nfs/dbraw/zinc/55/32/21/607553221.db2.gz SEJBIGLKGFXUKC-FZKQIMNGSA-N 1 1 382.424 2.891 20 5 GFBDMO C[C@@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820664511 606715849 /nfs/dbraw/zinc/71/58/49/606715849.db2.gz AZUXKOPIKUBEFS-UKRRQHHQSA-N 1 1 394.439 2.635 20 5 GFBDMO COc1ccc(-c2nn[nH]n2)cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826182969 608172842 /nfs/dbraw/zinc/17/28/42/608172842.db2.gz ZWBMSZIRWMQVDB-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO COc1ccc(-c2nn[nH]n2)cc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826182969 608172844 /nfs/dbraw/zinc/17/28/44/608172844.db2.gz ZWBMSZIRWMQVDB-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000124528196 654777503 /nfs/dbraw/zinc/77/75/03/654777503.db2.gz WXNMVZQJBPBKRK-HNNXBMFYSA-N 1 1 383.857 2.829 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1 ZINC000057704765 654808551 /nfs/dbraw/zinc/80/85/51/654808551.db2.gz XCIYVUZMYNLTBW-HNNXBMFYSA-N 1 1 381.479 2.772 20 5 GFBDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267932764 654952769 /nfs/dbraw/zinc/95/27/69/654952769.db2.gz OSNIXOAKTBDPED-VIFPVBQESA-N 1 1 386.221 2.711 20 5 GFBDMO CC(C)Cc1ncc(C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000273541814 655147418 /nfs/dbraw/zinc/14/74/18/655147418.db2.gz XCQKSTLLEYRCJH-UHFFFAOYSA-N 1 1 383.495 2.813 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176125 655156775 /nfs/dbraw/zinc/15/67/75/655156775.db2.gz VHXWKHQRLSFACU-CYBMUJFWSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176125 655156776 /nfs/dbraw/zinc/15/67/76/655156776.db2.gz VHXWKHQRLSFACU-CYBMUJFWSA-N 1 1 375.878 2.542 20 5 GFBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530552 661090064 /nfs/dbraw/zinc/09/00/64/661090064.db2.gz ACBISZRXTKAEAA-CHWSQXEVSA-N 1 1 382.258 2.848 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273483 655247128 /nfs/dbraw/zinc/24/71/28/655247128.db2.gz UUBABDIUTDQLNP-CQSZACIVSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273483 655247130 /nfs/dbraw/zinc/24/71/30/655247130.db2.gz UUBABDIUTDQLNP-CQSZACIVSA-N 1 1 375.878 2.542 20 5 GFBDMO Cc1sc(S(=O)(=O)N2C[C@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000119175804 655291787 /nfs/dbraw/zinc/29/17/87/655291787.db2.gz FKXNTDLOLNLRLQ-CYBMUJFWSA-N 1 1 381.479 2.646 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)cs1 ZINC000120118629 655328188 /nfs/dbraw/zinc/32/81/88/655328188.db2.gz DBKWMZKYSLZTJI-CYBMUJFWSA-N 1 1 379.463 2.830 20 5 GFBDMO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000840344280 661155821 /nfs/dbraw/zinc/15/58/21/661155821.db2.gz HFSHXRHJJUCIGC-UHFFFAOYSA-N 1 1 383.495 2.628 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000768936354 656261293 /nfs/dbraw/zinc/26/12/93/656261293.db2.gz CAEHTTXQTLHCQQ-ZDUSSCGKSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000768936354 656261297 /nfs/dbraw/zinc/26/12/97/656261297.db2.gz CAEHTTXQTLHCQQ-ZDUSSCGKSA-N 1 1 384.274 2.654 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000769381222 656272806 /nfs/dbraw/zinc/27/28/06/656272806.db2.gz MIVLLRRDWCQXRI-CQSZACIVSA-N 1 1 397.317 2.569 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000784719620 657323749 /nfs/dbraw/zinc/32/37/49/657323749.db2.gz DGWWREKYPDPUOA-YPMHNXCESA-N 1 1 389.905 2.955 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000798225679 659084628 /nfs/dbraw/zinc/08/46/28/659084628.db2.gz GXDDAMBRIXLSKP-MNOVXSKESA-N 1 1 393.868 2.786 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(C)C ZINC000809836584 659947556 /nfs/dbraw/zinc/94/75/56/659947556.db2.gz OLESHLPXDHAUID-UHFFFAOYSA-N 1 1 384.285 2.910 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000813442402 660054186 /nfs/dbraw/zinc/05/41/86/660054186.db2.gz ABTVIVBWIXWHKB-ZIAGYGMSSA-N 1 1 388.251 2.573 20 5 GFBDMO COCCOCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000844467688 661421759 /nfs/dbraw/zinc/42/17/59/661421759.db2.gz FLXOOFVSWSMBEH-UHFFFAOYSA-N 1 1 392.283 2.682 20 5 GFBDMO C[C@@]1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+](Cc2ccccc2)C1 ZINC000846026361 661525437 /nfs/dbraw/zinc/52/54/37/661525437.db2.gz UXNKQUZLUAHXQQ-MRXNPFEDSA-N 1 1 381.479 2.599 20 5 GFBDMO C[C@@]1(NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000846026361 661525440 /nfs/dbraw/zinc/52/54/40/661525440.db2.gz UXNKQUZLUAHXQQ-MRXNPFEDSA-N 1 1 381.479 2.599 20 5 GFBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000848482220 661653795 /nfs/dbraw/zinc/65/37/95/661653795.db2.gz KGBKENWXWLFYGD-UHFFFAOYSA-N 1 1 375.878 2.743 20 5 GFBDMO CO[C@@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCOC1 ZINC000852021927 661849486 /nfs/dbraw/zinc/84/94/86/661849486.db2.gz MLEPYELOZREULT-BZNIZROVSA-N 1 1 385.258 2.767 20 5 GFBDMO CO[C@@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@@H]1CCOC1 ZINC000852021927 661849487 /nfs/dbraw/zinc/84/94/87/661849487.db2.gz MLEPYELOZREULT-BZNIZROVSA-N 1 1 385.258 2.767 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000859347801 662154988 /nfs/dbraw/zinc/15/49/88/662154988.db2.gz TXMGRMJZHRMZEO-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000859347801 662154991 /nfs/dbraw/zinc/15/49/91/662154991.db2.gz TXMGRMJZHRMZEO-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO COCC[N@H+]1CCC[C@H]1COC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000861035076 662224885 /nfs/dbraw/zinc/22/48/85/662224885.db2.gz SAUZIZHBEUHIQQ-ZDUSSCGKSA-N 1 1 387.230 2.625 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000864907142 662390423 /nfs/dbraw/zinc/39/04/23/662390423.db2.gz VZSKQYAARIJBBL-STQMWFEESA-N 1 1 382.258 2.643 20 5 GFBDMO CC(C)[N@H+]1CCCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000865144823 662400963 /nfs/dbraw/zinc/40/09/63/662400963.db2.gz WJUDRPKFKGITFR-UHFFFAOYSA-N 1 1 384.274 2.843 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000879063146 662915257 /nfs/dbraw/zinc/91/52/57/662915257.db2.gz NVACNNOCXOCMKB-GDBMZVCRSA-N 1 1 395.257 2.670 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000879063146 662915260 /nfs/dbraw/zinc/91/52/60/662915260.db2.gz NVACNNOCXOCMKB-GDBMZVCRSA-N 1 1 395.257 2.670 20 5 GFBDMO CC1(C)CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000890075217 663283529 /nfs/dbraw/zinc/28/35/29/663283529.db2.gz DLVLLUJPTFLGRP-UHFFFAOYSA-N 1 1 388.237 2.958 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000895090321 663499281 /nfs/dbraw/zinc/49/92/81/663499281.db2.gz LOPLXCIDJGTCMT-CYBMUJFWSA-N 1 1 382.825 2.573 20 5 GFBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991684 663536309 /nfs/dbraw/zinc/53/63/09/663536309.db2.gz YRLOKBBKJHYVRE-RKDXNWHRSA-N 1 1 392.214 2.634 20 5 GFBDMO CC(C)(O)C[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896212947 663545502 /nfs/dbraw/zinc/54/55/02/663545502.db2.gz QRTALYFRGMPTPT-UHFFFAOYSA-N 1 1 394.230 2.569 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099263 664722987 /nfs/dbraw/zinc/72/29/87/664722987.db2.gz SPEBCKOWFJNJJJ-RCBQFDQVSA-N 1 1 381.523 2.771 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928099263 664722988 /nfs/dbraw/zinc/72/29/88/664722988.db2.gz SPEBCKOWFJNJJJ-RCBQFDQVSA-N 1 1 381.523 2.771 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000930856065 664779866 /nfs/dbraw/zinc/77/98/66/664779866.db2.gz RZJYIDWEIJCHRS-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001164620463 719059259 /nfs/dbraw/zinc/05/92/59/719059259.db2.gz FFAYVAMSXYDUEN-QFBILLFUSA-N 1 1 396.447 2.877 20 5 GFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625846 719113400 /nfs/dbraw/zinc/11/34/00/719113400.db2.gz HEMJMSQGHWOHRG-APWZRJJASA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815897 720135859 /nfs/dbraw/zinc/13/58/59/720135859.db2.gz XFALOKUGNOOKSL-FOIQADDNSA-N 1 1 385.468 2.656 20 5 GFBDMO COCC[N@H+]1CCO[C@H]2CN(c3ccc4ccc5cccnc5c4n3)CC[C@@H]2C1 ZINC001164853315 720843533 /nfs/dbraw/zinc/84/35/33/720843533.db2.gz OFSCHPKCOYENBW-UXHICEINSA-N 1 1 392.503 2.957 20 5 GFBDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001164910709 721757215 /nfs/dbraw/zinc/75/72/15/721757215.db2.gz QHDBAMRWAXZFDR-UHFFFAOYSA-N 1 1 394.435 2.755 20 5 GFBDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc([N+](=O)[O-])c(N)n1)C2 ZINC001164910709 721757220 /nfs/dbraw/zinc/75/72/20/721757220.db2.gz QHDBAMRWAXZFDR-UHFFFAOYSA-N 1 1 394.435 2.755 20 5 GFBDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935152 721888501 /nfs/dbraw/zinc/88/85/01/721888501.db2.gz WRMPSFQGLZTFDX-QZTJIDSGSA-N 1 1 381.480 2.871 20 5 GFBDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935152 721888503 /nfs/dbraw/zinc/88/85/03/721888503.db2.gz WRMPSFQGLZTFDX-QZTJIDSGSA-N 1 1 381.480 2.871 20 5 GFBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000158564855 551553880 /nfs/dbraw/zinc/55/38/80/551553880.db2.gz BSVVGYQRWGLFME-LBPRGKRZSA-N 1 1 387.889 2.886 20 5 GFBDMO O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000158773033 551556737 /nfs/dbraw/zinc/55/67/37/551556737.db2.gz OYWVKUTYFPIAKJ-UHFFFAOYSA-N 1 1 383.589 2.868 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccco1 ZINC000182660639 552289934 /nfs/dbraw/zinc/28/99/34/552289934.db2.gz PFINMTRHXYCOHR-LBPRGKRZSA-N 1 1 382.214 2.983 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246103196 553102431 /nfs/dbraw/zinc/10/24/31/553102431.db2.gz HPBPPBHJEXYSIB-QMTHXVAHSA-N 1 1 375.878 2.517 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000252657510 553150137 /nfs/dbraw/zinc/15/01/37/553150137.db2.gz ZYMQJWXJUVZSRI-GXTWGEPZSA-N 1 1 387.889 2.661 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000262001129 553164021 /nfs/dbraw/zinc/16/40/21/553164021.db2.gz PVXGSEQGQPAFQX-OAHLLOKOSA-N 1 1 391.225 2.539 20 5 GFBDMO Cc1c(NC(=O)N2CC[NH+](C3CC3)CC2)cc(Br)cc1[N+](=O)[O-] ZINC000280867547 563358225 /nfs/dbraw/zinc/35/82/25/563358225.db2.gz YOYRRFWWFJXYRO-UHFFFAOYSA-N 1 1 383.246 2.978 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCc1c[nH+]c2n1CCCC2 ZINC000375390240 563402608 /nfs/dbraw/zinc/40/26/08/563402608.db2.gz JZDLJGWMZMQYQY-UHFFFAOYSA-N 1 1 393.241 2.749 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000425455381 563423207 /nfs/dbraw/zinc/42/32/07/563423207.db2.gz ABMDVGTWCNDAJH-CFVMTHIKSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000425455381 563423208 /nfs/dbraw/zinc/42/32/08/563423208.db2.gz ABMDVGTWCNDAJH-CFVMTHIKSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)s1 ZINC000377701709 563483310 /nfs/dbraw/zinc/48/33/10/563483310.db2.gz OLGZCSNPQAVDSD-YVEFUNNKSA-N 1 1 378.475 2.942 20 5 GFBDMO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H]3CCS(=O)(=O)[C@@H]3C2)s1 ZINC000377701709 563483313 /nfs/dbraw/zinc/48/33/13/563483313.db2.gz OLGZCSNPQAVDSD-YVEFUNNKSA-N 1 1 378.475 2.942 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000289025064 563665115 /nfs/dbraw/zinc/66/51/15/563665115.db2.gz CUXMWKWBPQAZAB-JTQLQIEISA-N 1 1 396.296 2.864 20 5 GFBDMO C[C@@]1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000440834585 563750853 /nfs/dbraw/zinc/75/08/53/563750853.db2.gz ALMZWDIWHHGEDY-CYBMUJFWSA-N 1 1 382.269 2.570 20 5 GFBDMO C[NH+](C)[C@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000539888357 564231967 /nfs/dbraw/zinc/23/19/67/564231967.db2.gz GROQMACSSHZZGK-ZDUSSCGKSA-N 1 1 383.495 2.645 20 5 GFBDMO C[C@H]1C[C@@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567003031 564353448 /nfs/dbraw/zinc/35/34/48/564353448.db2.gz RUCCCEDUEHMQMZ-GWCFXTLKSA-N 1 1 389.237 2.772 20 5 GFBDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000567003031 564353452 /nfs/dbraw/zinc/35/34/52/564353452.db2.gz RUCCCEDUEHMQMZ-GWCFXTLKSA-N 1 1 389.237 2.772 20 5 GFBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)O ZINC000569292265 564457174 /nfs/dbraw/zinc/45/71/74/564457174.db2.gz HOXFGDUUEWMPNP-UHFFFAOYSA-N 1 1 378.210 2.792 20 5 GFBDMO Cc1c(NC(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)cc(Br)cc1[N+](=O)[O-] ZINC000572815301 564611085 /nfs/dbraw/zinc/61/10/85/564611085.db2.gz WXJPFPQPUUXYGG-YGRLFVJLSA-N 1 1 383.246 2.834 20 5 GFBDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554935073 564778062 /nfs/dbraw/zinc/77/80/62/564778062.db2.gz KVCQRMUKOYMJAO-WDEREUQCSA-N 1 1 389.237 2.724 20 5 GFBDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554935072 564778091 /nfs/dbraw/zinc/77/80/91/564778091.db2.gz KVCQRMUKOYMJAO-QWRGUYRKSA-N 1 1 389.237 2.724 20 5 GFBDMO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292442 564831683 /nfs/dbraw/zinc/83/16/83/564831683.db2.gz CTCSACNJLOTSKT-SECBINFHSA-N 1 1 384.285 2.910 20 5 GFBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462292442 564831686 /nfs/dbraw/zinc/83/16/86/564831686.db2.gz CTCSACNJLOTSKT-SECBINFHSA-N 1 1 384.285 2.910 20 5 GFBDMO CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582269390 564837748 /nfs/dbraw/zinc/83/77/48/564837748.db2.gz DBKAKUYGBMNGGX-AWEZNQCLSA-N 1 1 390.221 2.936 20 5 GFBDMO CC[C@@]1(CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582269390 564837750 /nfs/dbraw/zinc/83/77/50/564837750.db2.gz DBKAKUYGBMNGGX-AWEZNQCLSA-N 1 1 390.221 2.936 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000590590360 565192949 /nfs/dbraw/zinc/19/29/49/565192949.db2.gz UYCQBHZEXNKDNV-ZDUSSCGKSA-N 1 1 387.458 2.685 20 5 GFBDMO C[C@@H]1[C@@H](C)[N@H+](C)C[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593188457 565318509 /nfs/dbraw/zinc/31/85/09/565318509.db2.gz HXHFNSAFYQFFNL-QJPTWQEYSA-N 1 1 384.274 2.839 20 5 GFBDMO C[C@H](O)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000594063007 565374288 /nfs/dbraw/zinc/37/42/88/565374288.db2.gz HQPPLOKTQUVEFR-VIFPVBQESA-N 1 1 376.194 2.545 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000597716672 565572194 /nfs/dbraw/zinc/57/21/94/565572194.db2.gz RLBZIFBXMJJEJT-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000603640466 565912833 /nfs/dbraw/zinc/91/28/33/565912833.db2.gz DOKHJHRYFZCXOH-NWDGAFQWSA-N 1 1 375.878 2.789 20 5 GFBDMO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609620262 566047995 /nfs/dbraw/zinc/04/79/95/566047995.db2.gz YRMQTJSCQHIUSB-OAHLLOKOSA-N 1 1 397.317 2.962 20 5 GFBDMO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609620262 566047999 /nfs/dbraw/zinc/04/79/99/566047999.db2.gz YRMQTJSCQHIUSB-OAHLLOKOSA-N 1 1 397.317 2.962 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821599346 599060551 /nfs/dbraw/zinc/06/05/51/599060551.db2.gz PNUITFFXVBXLAG-CYBMUJFWSA-N 1 1 396.455 2.634 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705587 599476579 /nfs/dbraw/zinc/47/65/79/599476579.db2.gz VNYSTYYHOXGQPM-LBPRGKRZSA-N 1 1 382.428 2.609 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C2CC2)cc1 ZINC000826498105 608173705 /nfs/dbraw/zinc/17/37/05/608173705.db2.gz HREOVBKOLBJRSI-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030217622 654583975 /nfs/dbraw/zinc/58/39/75/654583975.db2.gz TZINVXDRMXDBMP-LBPRGKRZSA-N 1 1 385.214 2.822 20 5 GFBDMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000030217622 654583981 /nfs/dbraw/zinc/58/39/81/654583981.db2.gz TZINVXDRMXDBMP-LBPRGKRZSA-N 1 1 385.214 2.822 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000044761025 654663505 /nfs/dbraw/zinc/66/35/05/654663505.db2.gz MRHRTKMPBHBSFO-GFCCVEGCSA-N 1 1 389.886 2.891 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123854620 654765124 /nfs/dbraw/zinc/76/51/24/654765124.db2.gz QCRQWPGYQOKLSR-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000057704830 654808599 /nfs/dbraw/zinc/80/85/99/654808599.db2.gz UAEYEZZHBVRNEJ-CQSZACIVSA-N 1 1 381.479 2.772 20 5 GFBDMO C[N@@H+](CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl)C1CC1 ZINC000269709350 655018083 /nfs/dbraw/zinc/01/80/83/655018083.db2.gz UHKGGPAVJDORKN-UHFFFAOYSA-N 1 1 376.638 2.835 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153454050 655067094 /nfs/dbraw/zinc/06/70/94/655067094.db2.gz VXERJAGKILCICZ-ZDUSSCGKSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153454050 655067098 /nfs/dbraw/zinc/06/70/98/655067098.db2.gz VXERJAGKILCICZ-ZDUSSCGKSA-N 1 1 375.878 2.542 20 5 GFBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601224 661094860 /nfs/dbraw/zinc/09/48/60/661094860.db2.gz PLHQLHUUJVPFCY-TZMCWYRMSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601224 661094862 /nfs/dbraw/zinc/09/48/62/661094862.db2.gz PLHQLHUUJVPFCY-TZMCWYRMSA-N 1 1 384.274 2.652 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173920277 655185681 /nfs/dbraw/zinc/18/56/81/655185681.db2.gz JXYCBTCMOYVEEC-GFCCVEGCSA-N 1 1 399.289 2.569 20 5 GFBDMO C[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000783724026 657254725 /nfs/dbraw/zinc/25/47/25/657254725.db2.gz SOJXDKVHDRRRDQ-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)OCCC[NH+]1CCOCC1 ZINC000792472673 658285911 /nfs/dbraw/zinc/28/59/11/658285911.db2.gz MAEHIYAEFGNORY-UHFFFAOYSA-N 1 1 387.230 2.545 20 5 GFBDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798166656 659078017 /nfs/dbraw/zinc/07/80/17/659078017.db2.gz DUOMAVKWVMGKPL-NSHDSACASA-N 1 1 385.262 2.603 20 5 GFBDMO Cc1[nH+]ccn1CCOC(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] ZINC000803723456 659598685 /nfs/dbraw/zinc/59/86/85/659598685.db2.gz DXWQSTHBAQGNIJ-UHFFFAOYSA-N 1 1 397.229 2.542 20 5 GFBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701188 659936481 /nfs/dbraw/zinc/93/64/81/659936481.db2.gz VHTNSRLHDPUHFS-CHWSQXEVSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H]1C[C@@H](N2CCOCC2)C[N@H+]1Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809701188 659936483 /nfs/dbraw/zinc/93/64/83/659936483.db2.gz VHTNSRLHDPUHFS-CHWSQXEVSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809806235 659939926 /nfs/dbraw/zinc/93/99/26/659939926.db2.gz HJKXNWZTANJUIE-NSHDSACASA-N 1 1 393.868 2.930 20 5 GFBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809815407 659941377 /nfs/dbraw/zinc/94/13/77/659941377.db2.gz GWTFJWLJVNULBC-VIFPVBQESA-N 1 1 382.269 2.522 20 5 GFBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813442620 660054150 /nfs/dbraw/zinc/05/41/50/660054150.db2.gz CZPLCPWGQLWZMH-LLVKDONJSA-N 1 1 376.240 2.742 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000841546102 661295388 /nfs/dbraw/zinc/29/53/88/661295388.db2.gz HIVQPVAPNCDUSK-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849411455 661718130 /nfs/dbraw/zinc/71/81/30/661718130.db2.gz JKKJDNUEGMSNJF-NSHDSACASA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849418776 661720279 /nfs/dbraw/zinc/72/02/79/661720279.db2.gz HMTSQHSBYLXXBM-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000865718099 662438607 /nfs/dbraw/zinc/43/86/07/662438607.db2.gz VEMFXIYGGAHXFI-ZDUSSCGKSA-N 1 1 382.258 2.595 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865893979 662449707 /nfs/dbraw/zinc/44/97/07/662449707.db2.gz GHRIGXHOFZETIZ-CYBMUJFWSA-N 1 1 384.274 2.700 20 5 GFBDMO CN([C@@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867423515 662549022 /nfs/dbraw/zinc/54/90/22/662549022.db2.gz FIXPWSNQZIQNRH-GFCCVEGCSA-N 1 1 394.280 2.616 20 5 GFBDMO CC(C)CN(CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000872743901 662787653 /nfs/dbraw/zinc/78/76/53/662787653.db2.gz LVOUORLJUSQEDN-UHFFFAOYSA-N 1 1 388.310 2.811 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000881931854 663010310 /nfs/dbraw/zinc/01/03/10/663010310.db2.gz DGTLUSOEDPSHGP-VXGBXAGGSA-N 1 1 375.878 2.660 20 5 GFBDMO O=C(N[C@@H]1CCC[N@H+](CCCO)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880708 663623440 /nfs/dbraw/zinc/62/34/40/663623440.db2.gz MKFLYXXETFKDPP-SECBINFHSA-N 1 1 394.230 2.617 20 5 GFBDMO O=C1N[C@@H](C2CC[NH+](Cc3c(Br)cccc3[N+](=O)[O-])CC2)CO1 ZINC000932769537 664836489 /nfs/dbraw/zinc/83/64/89/664836489.db2.gz JUEIXLBCFZKKLK-CYBMUJFWSA-N 1 1 384.230 2.678 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)cc([N+](=O)[O-])n1)C2 ZINC001164816410 720101383 /nfs/dbraw/zinc/10/13/83/720101383.db2.gz YQWIFOZWLJXTIN-KSSFIOAISA-N 1 1 380.876 2.828 20 5 GFBDMO COc1ncnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165026866 721812450 /nfs/dbraw/zinc/81/24/50/721812450.db2.gz RUUJNSBURIFOKC-USXIJHARSA-N 1 1 398.467 2.525 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925990 721873331 /nfs/dbraw/zinc/87/33/31/721873331.db2.gz PNDLLMRKFMVKST-RTBURBONSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925990 721873333 /nfs/dbraw/zinc/87/33/33/721873333.db2.gz PNDLLMRKFMVKST-RTBURBONSA-N 1 1 396.495 2.575 20 5 GFBDMO COc1ncnc(N2CCC[C@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164997337 722199847 /nfs/dbraw/zinc/19/98/47/722199847.db2.gz ZYSJZAYAVQTAEX-IBGZPJMESA-N 1 1 387.415 2.777 20 5 GFBDMO COc1ncnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164997337 722199848 /nfs/dbraw/zinc/19/98/48/722199848.db2.gz ZYSJZAYAVQTAEX-IBGZPJMESA-N 1 1 387.415 2.777 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164996255 722203634 /nfs/dbraw/zinc/20/36/34/722203634.db2.gz SFAXOIYHQGVSJT-HXUWFJFHSA-N 1 1 386.427 2.921 20 5 GFBDMO CC[N@@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000015164181 551110741 /nfs/dbraw/zinc/11/07/41/551110741.db2.gz IVOKDHMNNCOCKI-JTQLQIEISA-N 1 1 381.376 2.785 20 5 GFBDMO CC[N@H+]1CCC[C@H]1CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000015164181 551110746 /nfs/dbraw/zinc/11/07/46/551110746.db2.gz IVOKDHMNNCOCKI-JTQLQIEISA-N 1 1 381.376 2.785 20 5 GFBDMO Cc1c(Br)cc(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000122486472 551298830 /nfs/dbraw/zinc/29/88/30/551298830.db2.gz BDEJSTOEHSMEDQ-ZDUSSCGKSA-N 1 1 382.258 2.880 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173955161 552095942 /nfs/dbraw/zinc/09/59/42/552095942.db2.gz LBTQNGRKVNBQBM-LBPRGKRZSA-N 1 1 375.878 2.601 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178459828 552170758 /nfs/dbraw/zinc/17/07/58/552170758.db2.gz CTWDQBMCVJDKSD-SNVBAGLBSA-N 1 1 381.230 2.928 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000248733459 553133997 /nfs/dbraw/zinc/13/39/97/553133997.db2.gz BINKVOJYPRBBPE-WCQYABFASA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295291609 563240531 /nfs/dbraw/zinc/24/05/31/563240531.db2.gz UEDILRKSBQVPGO-ONGXEEELSA-N 1 1 396.296 2.862 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370382290 563242098 /nfs/dbraw/zinc/24/20/98/563242098.db2.gz RNCGACWNYWYNJB-MLGOLLRUSA-N 1 1 381.479 2.628 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2Br)c1 ZINC000371891607 563290548 /nfs/dbraw/zinc/29/05/48/563290548.db2.gz JYDCRUOTFPDURW-CJNGLKHVSA-N 1 1 395.257 2.752 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000425455383 563423139 /nfs/dbraw/zinc/42/31/39/563423139.db2.gz ABMDVGTWCNDAJH-YUELXQCFSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000425455383 563423142 /nfs/dbraw/zinc/42/31/42/563423142.db2.gz ABMDVGTWCNDAJH-YUELXQCFSA-N 1 1 385.258 2.719 20 5 GFBDMO Cc1cc(N2CC[NH+](C3CCOCC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000302668020 563427759 /nfs/dbraw/zinc/42/77/59/563427759.db2.gz JVLYBKVCRUPFRB-UHFFFAOYSA-N 1 1 384.274 2.967 20 5 GFBDMO COc1ccc(OCC[NH2+][C@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])c1 ZINC000433003786 563600321 /nfs/dbraw/zinc/60/03/21/563600321.db2.gz BAKPZIUAHDLETB-SNVBAGLBSA-N 1 1 397.229 2.886 20 5 GFBDMO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365539518 563786132 /nfs/dbraw/zinc/78/61/32/563786132.db2.gz PZRFOVKVSAYLHG-GZBFAFLISA-N 1 1 394.269 2.914 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000449793892 564201625 /nfs/dbraw/zinc/20/16/25/564201625.db2.gz YPEFVSNWKIRIBT-LLVKDONJSA-N 1 1 390.221 2.794 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000449793892 564201630 /nfs/dbraw/zinc/20/16/30/564201630.db2.gz YPEFVSNWKIRIBT-LLVKDONJSA-N 1 1 390.221 2.794 20 5 GFBDMO O=C(C[NH2+][C@H](CO)c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000542912040 564331362 /nfs/dbraw/zinc/33/13/62/564331362.db2.gz FBLFJGLWDMQFPR-CQSZACIVSA-N 1 1 394.225 2.619 20 5 GFBDMO C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000567284229 564364632 /nfs/dbraw/zinc/36/46/32/564364632.db2.gz IMEJBOFAHLMPAC-JTQLQIEISA-N 1 1 389.237 2.772 20 5 GFBDMO C[C@@H](CNCc1cc(I)cc([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000567284229 564364638 /nfs/dbraw/zinc/36/46/38/564364638.db2.gz IMEJBOFAHLMPAC-JTQLQIEISA-N 1 1 389.237 2.772 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530617826 564889359 /nfs/dbraw/zinc/88/93/59/564889359.db2.gz IKANAKFKHHAEDT-HNNXBMFYSA-N 1 1 383.857 2.829 20 5 GFBDMO CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000500144983 564946912 /nfs/dbraw/zinc/94/69/12/564946912.db2.gz KFJACYWAQGPGRC-GFCCVEGCSA-N 1 1 375.878 2.791 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000467798125 564973472 /nfs/dbraw/zinc/97/34/72/564973472.db2.gz LHCXQAVQCFGUFG-ZDUSSCGKSA-N 1 1 387.889 2.601 20 5 GFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000470614169 565050723 /nfs/dbraw/zinc/05/07/23/565050723.db2.gz TWLOJQDNYRIAQT-FRRDWIJNSA-N 1 1 389.905 2.893 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000590165264 565180153 /nfs/dbraw/zinc/18/01/53/565180153.db2.gz BDVIYLUXVPYWHB-INIZCTEOSA-N 1 1 387.889 2.663 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000595120923 565450127 /nfs/dbraw/zinc/45/01/27/565450127.db2.gz OTRYGHKFMOOXOK-SNVBAGLBSA-N 1 1 394.280 2.855 20 5 GFBDMO CCCNC(=O)C[NH+]1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596074900 565511727 /nfs/dbraw/zinc/51/17/27/565511727.db2.gz AKZSOUVOCGUVRO-UHFFFAOYSA-N 1 1 399.289 2.760 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597577430 565564786 /nfs/dbraw/zinc/56/47/86/565564786.db2.gz GHWPQOUWOWRUGV-UONOGXRCSA-N 1 1 386.221 2.616 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1N1CC[NH+](CCc2cnccn2)CC1 ZINC000601253251 565773740 /nfs/dbraw/zinc/77/37/40/565773740.db2.gz HSMMYAQNKONRCP-UHFFFAOYSA-N 1 1 392.257 2.512 20 5 GFBDMO CCN1CCN([C@H](C)C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602515901 565852790 /nfs/dbraw/zinc/85/27/90/565852790.db2.gz SXGPDZOJLDCUCG-LLVKDONJSA-N 1 1 391.335 2.534 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000603658874 565913121 /nfs/dbraw/zinc/91/31/21/565913121.db2.gz KCFSDJZTGXMIEI-VXGBXAGGSA-N 1 1 389.905 2.955 20 5 GFBDMO Cc1c(Br)c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000612438323 566162703 /nfs/dbraw/zinc/16/27/03/566162703.db2.gz MMIPDXLQWPHSJH-ZDUSSCGKSA-N 1 1 399.289 2.752 20 5 GFBDMO Cc1c(Br)c(N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)ncc1[N+](=O)[O-] ZINC000612438323 566162705 /nfs/dbraw/zinc/16/27/05/566162705.db2.gz MMIPDXLQWPHSJH-ZDUSSCGKSA-N 1 1 399.289 2.752 20 5 GFBDMO CC1(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000736213554 598246062 /nfs/dbraw/zinc/24/60/62/598246062.db2.gz KFCOEQQREGZPOV-UHFFFAOYSA-N 1 1 393.451 2.876 20 5 GFBDMO Cc1ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c([N+](=O)[O-])c1 ZINC000822242450 606136986 /nfs/dbraw/zinc/13/69/86/606136986.db2.gz LJMYWBJKJRLFAZ-UHFFFAOYSA-N 1 1 393.451 2.796 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302092 660488082 /nfs/dbraw/zinc/48/80/82/660488082.db2.gz SUCWCYLUFQVDJN-BXUZGUMPSA-N 1 1 382.258 2.832 20 5 GFBDMO O=C(C[N@@H+](C[C@H]1CCOC1)C1CC1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000052752901 654738825 /nfs/dbraw/zinc/73/88/25/654738825.db2.gz IDEASBDMUYWGRP-LLVKDONJSA-N 1 1 398.257 2.797 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)C1 ZINC000123854384 654765108 /nfs/dbraw/zinc/76/51/08/654765108.db2.gz QCRQWPGYQOKLSR-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000839147934 661073625 /nfs/dbraw/zinc/07/36/25/661073625.db2.gz BRFJOGWJQWLMDR-UHFFFAOYSA-N 1 1 383.857 2.836 20 5 GFBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589487 661094251 /nfs/dbraw/zinc/09/42/51/661094251.db2.gz GOPUTQOLXQQTKB-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1cccc([N+](=O)[O-])c1Br ZINC000839589487 661094257 /nfs/dbraw/zinc/09/42/57/661094257.db2.gz GOPUTQOLXQQTKB-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000176717224 655253326 /nfs/dbraw/zinc/25/33/26/655253326.db2.gz BDTMRJDTXLGMNN-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000575174629 655436707 /nfs/dbraw/zinc/43/67/07/655436707.db2.gz LYFPECCUVKHIMS-SECBINFHSA-N 1 1 377.344 2.600 20 5 GFBDMO CC[C@H](C[NH+]1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000751227808 655823289 /nfs/dbraw/zinc/82/32/89/655823289.db2.gz LCTSJVWSXAOMPW-LLVKDONJSA-N 1 1 377.413 2.877 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754994527 655878101 /nfs/dbraw/zinc/87/81/01/655878101.db2.gz QJNPNQWAXDQYKW-SNVBAGLBSA-N 1 1 388.237 2.958 20 5 GFBDMO CCc1ccc([C@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000768793855 656251467 /nfs/dbraw/zinc/25/14/67/656251467.db2.gz MTXHNLYGDONZNQ-HNNXBMFYSA-N 1 1 383.495 2.800 20 5 GFBDMO Cc1ccc(N2CCC([N@@H+](C)CCCO)CC2)c([N+](=O)[O-])c1Br ZINC000787898593 657618506 /nfs/dbraw/zinc/61/85/06/657618506.db2.gz KLGRNRISIDSUNW-UHFFFAOYSA-N 1 1 386.290 2.949 20 5 GFBDMO C[N@@H+](CCNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000790772213 658021218 /nfs/dbraw/zinc/02/12/18/658021218.db2.gz XOMZVBWVWJMSIS-UHFFFAOYSA-N 1 1 397.273 2.519 20 5 GFBDMO C[N@H+]1CCC[C@@H]1CNC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000790770534 658021276 /nfs/dbraw/zinc/02/12/76/658021276.db2.gz RLVFIOSPQUGPHA-LLVKDONJSA-N 1 1 397.273 2.519 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795773679 658848911 /nfs/dbraw/zinc/84/89/11/658848911.db2.gz CWKXPWUSPRMZCL-LLVKDONJSA-N 1 1 393.868 2.930 20 5 GFBDMO Cc1nn(C[N@H+](C)CCn2cc(Br)cn2)c2ccc([N+](=O)[O-])cc12 ZINC000808243323 659884145 /nfs/dbraw/zinc/88/41/45/659884145.db2.gz FXJBGVBKEWNEEN-UHFFFAOYSA-N 1 1 393.245 2.801 20 5 GFBDMO Cc1nn(C[N@@H+](C)CCn2cc(Br)cn2)c2ccc([N+](=O)[O-])cc12 ZINC000808243323 659884146 /nfs/dbraw/zinc/88/41/46/659884146.db2.gz FXJBGVBKEWNEEN-UHFFFAOYSA-N 1 1 393.245 2.801 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000809842950 659948340 /nfs/dbraw/zinc/94/83/40/659948340.db2.gz JUDUDNRXCKYWOR-GFCCVEGCSA-N 1 1 375.878 2.661 20 5 GFBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811478081 660009810 /nfs/dbraw/zinc/00/98/10/660009810.db2.gz ABOGFHPNTKYXNQ-LLVKDONJSA-N 1 1 389.283 2.579 20 5 GFBDMO CC(C)[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCOC1 ZINC000812290159 660022707 /nfs/dbraw/zinc/02/27/07/660022707.db2.gz ANFYQKVJRKYTHI-LBPRGKRZSA-N 1 1 398.257 2.770 20 5 GFBDMO CC(C)[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCOC1 ZINC000812290159 660022709 /nfs/dbraw/zinc/02/27/09/660022709.db2.gz ANFYQKVJRKYTHI-LBPRGKRZSA-N 1 1 398.257 2.770 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000814990023 660100366 /nfs/dbraw/zinc/10/03/66/660100366.db2.gz YEVTWDZADIMCFK-MNOVXSKESA-N 1 1 393.868 2.929 20 5 GFBDMO C[C@@H]1CC[N@@H+](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000848053618 661622876 /nfs/dbraw/zinc/62/28/76/661622876.db2.gz SFZQWOFZJMZKEG-LLVKDONJSA-N 1 1 382.258 2.584 20 5 GFBDMO CCC[N@H+]1CC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000851820483 661834721 /nfs/dbraw/zinc/83/47/21/661834721.db2.gz ALKWIXQFWHBTIN-VIFPVBQESA-N 1 1 382.269 2.664 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@H+](CC1(O)CCSCC1)CC2 ZINC000852023491 661849776 /nfs/dbraw/zinc/84/97/76/661849776.db2.gz ZSUBGQZFMIKHTH-UHFFFAOYSA-N 1 1 387.299 2.974 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c2c1C[N@@H+](CC1(O)CCSCC1)CC2 ZINC000852023491 661849778 /nfs/dbraw/zinc/84/97/78/661849778.db2.gz ZSUBGQZFMIKHTH-UHFFFAOYSA-N 1 1 387.299 2.974 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852679343 661871100 /nfs/dbraw/zinc/87/11/00/661871100.db2.gz YYUXLPYKVATPEZ-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852679343 661871101 /nfs/dbraw/zinc/87/11/01/661871101.db2.gz YYUXLPYKVATPEZ-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000852680095 661871211 /nfs/dbraw/zinc/87/12/11/661871211.db2.gz LLDNMIUAROBJNK-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000852680095 661871212 /nfs/dbraw/zinc/87/12/12/661871212.db2.gz LLDNMIUAROBJNK-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO C[N@H+]1CCCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000862790918 662301909 /nfs/dbraw/zinc/30/19/09/662301909.db2.gz BAQPHXTVHLKPLD-JTQLQIEISA-N 1 1 388.237 2.958 20 5 GFBDMO NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c(Cl)c(Cl)ccc2[N+](=O)[O-])CC1 ZINC000865631717 662432986 /nfs/dbraw/zinc/43/29/86/662432986.db2.gz HNJHHSANTLVYQX-ZDUSSCGKSA-N 1 1 387.267 2.820 20 5 GFBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866048973 662458256 /nfs/dbraw/zinc/45/82/56/662458256.db2.gz DQYWDQLUGJPTCV-AAEUAGOBSA-N 1 1 384.274 2.841 20 5 GFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000872086436 662755598 /nfs/dbraw/zinc/75/55/98/662755598.db2.gz WMWCWKSFJOIACS-VIFPVBQESA-N 1 1 386.417 2.944 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c1Br ZINC000880580952 662963030 /nfs/dbraw/zinc/96/30/30/662963030.db2.gz SWRSWRKDSARKRH-CYBMUJFWSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c1Br ZINC000880580952 662963034 /nfs/dbraw/zinc/96/30/34/662963034.db2.gz SWRSWRKDSARKRH-CYBMUJFWSA-N 1 1 385.258 2.721 20 5 GFBDMO O=C(NCC[NH+]1CCSCC1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896325232 663551332 /nfs/dbraw/zinc/55/13/32/663551332.db2.gz OHHZHTSAPYKTGC-UHFFFAOYSA-N 1 1 382.244 2.819 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813796 720146078 /nfs/dbraw/zinc/14/60/78/720146078.db2.gz QQEMUMGKFALODT-YWZLYKJASA-N 1 1 385.468 2.656 20 5 GFBDMO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728767 720431442 /nfs/dbraw/zinc/43/14/42/720431442.db2.gz GIMLQFSXXCBNJF-GBSQEQHRSA-N 1 1 394.479 2.770 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164795131 721497264 /nfs/dbraw/zinc/49/72/64/721497264.db2.gz DUKVZFRYMFEHLF-UHFFFAOYSA-N 1 1 397.479 2.813 20 5 GFBDMO C[N@@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1CCCC1 ZINC000152126294 551426377 /nfs/dbraw/zinc/42/63/77/551426377.db2.gz NYYXJAAJLFEFOE-UHFFFAOYSA-N 1 1 384.274 2.890 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000173954942 552095725 /nfs/dbraw/zinc/09/57/25/552095725.db2.gz DUCSNNUOIRQCOT-LBPRGKRZSA-N 1 1 375.878 2.601 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000176723415 552144759 /nfs/dbraw/zinc/14/47/59/552144759.db2.gz XZRIIYLNVKRJHP-WCQYABFASA-N 1 1 375.878 2.517 20 5 GFBDMO C[N@H+](CCCn1ccnc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000181071516 552245455 /nfs/dbraw/zinc/24/54/55/552245455.db2.gz MXNRSEPWHJRQCR-UHFFFAOYSA-N 1 1 396.245 2.514 20 5 GFBDMO C[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000181071516 552245456 /nfs/dbraw/zinc/24/54/56/552245456.db2.gz MXNRSEPWHJRQCR-UHFFFAOYSA-N 1 1 396.245 2.514 20 5 GFBDMO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1nc(C(F)(F)F)cs1 ZINC000185982496 552376496 /nfs/dbraw/zinc/37/64/96/552376496.db2.gz BMUWXDJCCQWLOP-SNVBAGLBSA-N 1 1 376.360 2.973 20 5 GFBDMO CCCNC(=O)C[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000301086211 563392476 /nfs/dbraw/zinc/39/24/76/563392476.db2.gz MSAULEWYGFNKAW-UHFFFAOYSA-N 1 1 399.289 2.760 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1Br ZINC000375541168 563408905 /nfs/dbraw/zinc/40/89/05/563408905.db2.gz QHIYPZSLCMBPHL-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO C[C@]12CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284319754 563470964 /nfs/dbraw/zinc/47/09/64/563470964.db2.gz AXTWJAQDXBSVKC-CFVMTHIKSA-N 1 1 375.252 2.850 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C[C@H]21 ZINC000377883008 563490289 /nfs/dbraw/zinc/49/02/89/563490289.db2.gz HUDAGBLBZRQGPS-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO CS(=O)(=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000285621210 563529634 /nfs/dbraw/zinc/52/96/34/563529634.db2.gz YCGUYXNQRPYNKE-UHFFFAOYSA-N 1 1 378.397 2.643 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331581250 563553859 /nfs/dbraw/zinc/55/38/59/563553859.db2.gz WPYTZOQNSXGLJK-BJOHPYRUSA-N 1 1 382.258 2.878 20 5 GFBDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c(F)c1 ZINC000414476631 563743486 /nfs/dbraw/zinc/74/34/86/563743486.db2.gz XVYBQWKITRTLNT-UHFFFAOYSA-N 1 1 389.430 2.537 20 5 GFBDMO COc1cc(CNc2cc(N(C)C)c(Br)c[nH+]2)cc([N+](=O)[O-])c1O ZINC000449641720 564193541 /nfs/dbraw/zinc/19/35/41/564193541.db2.gz DTBOMOVMUCDBCT-UHFFFAOYSA-N 1 1 397.229 2.567 20 5 GFBDMO O=C(C[NH2+][C@@H](CO)c1ccc(Br)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000542912039 564331595 /nfs/dbraw/zinc/33/15/95/564331595.db2.gz FBLFJGLWDMQFPR-AWEZNQCLSA-N 1 1 394.225 2.619 20 5 GFBDMO C[NH+](C)CC1(NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000545492163 564426292 /nfs/dbraw/zinc/42/62/92/564426292.db2.gz ZZHNMYAUJXSFPI-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO CC[NH+](CC)C[C@H](C)NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000480696034 564482556 /nfs/dbraw/zinc/48/25/56/564482556.db2.gz VRMFSNGGYPYKJD-VIFPVBQESA-N 1 1 384.285 2.910 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000481981089 564530971 /nfs/dbraw/zinc/53/09/71/564530971.db2.gz NQVDZKQAOYYLMR-HNNXBMFYSA-N 1 1 383.495 2.854 20 5 GFBDMO O=[N+]([O-])c1cc(I)ccc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000548614338 564567076 /nfs/dbraw/zinc/56/70/76/564567076.db2.gz AGDJDFBVXOXKAJ-SNVBAGLBSA-N 1 1 384.177 2.823 20 5 GFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(Br)c(F)c1 ZINC000494242097 564820181 /nfs/dbraw/zinc/82/01/81/564820181.db2.gz QCWYZFIFFVMBFG-UHFFFAOYSA-N 1 1 384.205 2.790 20 5 GFBDMO C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053490 564868245 /nfs/dbraw/zinc/86/82/45/564868245.db2.gz JHTXRSUKBVREDZ-SKDRFNHKSA-N 1 1 381.230 2.996 20 5 GFBDMO C[N@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000467152287 564956933 /nfs/dbraw/zinc/95/69/33/564956933.db2.gz OPHXNTYSAIMDFG-LBPRGKRZSA-N 1 1 386.246 2.797 20 5 GFBDMO C[N@@H+](CC[C@@H]1CCCO1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000467152287 564956936 /nfs/dbraw/zinc/95/69/36/564956936.db2.gz OPHXNTYSAIMDFG-LBPRGKRZSA-N 1 1 386.246 2.797 20 5 GFBDMO O=C(NCCc1ccccc1[N+](=O)[O-])c1sc2c(c1Br)C[NH2+]C2 ZINC000595248827 565458260 /nfs/dbraw/zinc/45/82/60/565458260.db2.gz IEHPKWISIHSCIH-UHFFFAOYSA-N 1 1 396.266 2.995 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595412273 565474668 /nfs/dbraw/zinc/47/46/68/565474668.db2.gz XKKYZJVHXPOKLG-ZDUSSCGKSA-N 1 1 387.889 2.649 20 5 GFBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376933 565779328 /nfs/dbraw/zinc/77/93/28/565779328.db2.gz WPZYBHJJXDOYTG-TZMCWYRMSA-N 1 1 385.511 2.602 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290629 565837449 /nfs/dbraw/zinc/83/74/49/565837449.db2.gz IFLFNCWPWMYAQR-WCQYABFASA-N 1 1 382.258 2.914 20 5 GFBDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1=O ZINC000602701346 565864305 /nfs/dbraw/zinc/86/43/05/565864305.db2.gz JOSQBYKYKVWDNS-JTQLQIEISA-N 1 1 376.276 2.908 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000603975572 565920313 /nfs/dbraw/zinc/92/03/13/565920313.db2.gz BKBLFVRRLYZZNZ-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196299 566032573 /nfs/dbraw/zinc/03/25/73/566032573.db2.gz LDCJXYYJGDUFSW-GFCCVEGCSA-N 1 1 375.878 2.791 20 5 GFBDMO CC[N@H+]1CCN(c2ccc(I)cc2[N+](=O)[O-])C[C@H]1C ZINC000611084706 566113422 /nfs/dbraw/zinc/11/34/22/566113422.db2.gz LNSDMAYFORAKRX-SNVBAGLBSA-N 1 1 375.210 2.730 20 5 GFBDMO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@H](C)C1 ZINC000820711413 599477553 /nfs/dbraw/zinc/47/75/53/599477553.db2.gz YQDFDYHFISFWHH-STQMWFEESA-N 1 1 396.455 2.855 20 5 GFBDMO Cc1cccc2c(NCCc3ccc([N+](=O)[O-])cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822334730 599490561 /nfs/dbraw/zinc/49/05/61/599490561.db2.gz FJENMOXAXCPXHU-UHFFFAOYSA-N 1 1 375.392 2.708 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c(Cl)c1 ZINC000122678953 654742262 /nfs/dbraw/zinc/74/22/62/654742262.db2.gz GANFDUPMCLAXNK-UHFFFAOYSA-N 1 1 382.770 2.734 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)[C@H](C)C1 ZINC000124281282 654773681 /nfs/dbraw/zinc/77/36/81/654773681.db2.gz HDRVBFUKZFIOTJ-OCCSQVGLSA-N 1 1 389.905 2.907 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000130974818 654894890 /nfs/dbraw/zinc/89/48/90/654894890.db2.gz SDQLZQVLAAKKOL-CYBMUJFWSA-N 1 1 382.214 2.983 20 5 GFBDMO C[C@@H]1C[C@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@H+]1C1CC1 ZINC000267908113 654951517 /nfs/dbraw/zinc/95/15/17/654951517.db2.gz BYMHPGWUOFEGAR-SCZZXKLOSA-N 1 1 386.221 2.851 20 5 GFBDMO CC[N@@H+](C)CCNC(=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 ZINC000134935498 655006494 /nfs/dbraw/zinc/00/64/94/655006494.db2.gz SNNONPGWOUDOLW-UHFFFAOYSA-N 1 1 386.239 2.769 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000173761968 655180433 /nfs/dbraw/zinc/18/04/33/655180433.db2.gz ZZCFKLFWUUDKJZ-HOTGVXAUSA-N 1 1 382.873 2.596 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000173761968 655180435 /nfs/dbraw/zinc/18/04/35/655180435.db2.gz ZZCFKLFWUUDKJZ-HOTGVXAUSA-N 1 1 382.873 2.596 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174823626 655208676 /nfs/dbraw/zinc/20/86/76/655208676.db2.gz PEGMKXJHAMCPEE-CQSZACIVSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174823626 655208679 /nfs/dbraw/zinc/20/86/79/655208679.db2.gz PEGMKXJHAMCPEE-CQSZACIVSA-N 1 1 375.878 2.542 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000264670089 655468249 /nfs/dbraw/zinc/46/82/49/655468249.db2.gz WCDQQARRFXMRPV-OLZOCXBDSA-N 1 1 375.397 2.630 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000725822606 655526997 /nfs/dbraw/zinc/52/69/97/655526997.db2.gz HUIHPOXTXLIVTJ-RYUDHWBXSA-N 1 1 375.878 2.789 20 5 GFBDMO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411525 655717965 /nfs/dbraw/zinc/71/79/65/655717965.db2.gz HABLXCGGHAMDLY-UWVGGRQHSA-N 1 1 381.376 2.783 20 5 GFBDMO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411525 655717967 /nfs/dbraw/zinc/71/79/67/655717967.db2.gz HABLXCGGHAMDLY-UWVGGRQHSA-N 1 1 381.376 2.783 20 5 GFBDMO Cc1[nH+]ccn1CCNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000750854957 655818036 /nfs/dbraw/zinc/81/80/36/655818036.db2.gz WYIFXAMVVVHXKK-UHFFFAOYSA-N 1 1 387.621 2.946 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769429325 656276195 /nfs/dbraw/zinc/27/61/95/656276195.db2.gz YCZIIYQCNVBTBJ-UHFFFAOYSA-N 1 1 386.290 2.636 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCCCC[N@H+](C)C1CC1 ZINC000841527729 661291386 /nfs/dbraw/zinc/29/13/86/661291386.db2.gz WBPMPYGGKGRCNF-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO C[N@H+]1CCC[C@@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790769933 658021312 /nfs/dbraw/zinc/02/13/12/658021312.db2.gz LZJUELMEOILUJO-LLVKDONJSA-N 1 1 397.273 2.519 20 5 GFBDMO C[C@H]1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000808326170 659888628 /nfs/dbraw/zinc/88/86/28/659888628.db2.gz NKTAPGACBOTRLQ-WFASDCNBSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@H]1[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000808326170 659888630 /nfs/dbraw/zinc/88/86/30/659888630.db2.gz NKTAPGACBOTRLQ-WFASDCNBSA-N 1 1 381.479 2.598 20 5 GFBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809845549 659948631 /nfs/dbraw/zinc/94/86/31/659948631.db2.gz OWSDQUSLIDIKCT-JTQLQIEISA-N 1 1 379.841 2.540 20 5 GFBDMO COC(=O)[C@]12C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]1COCC2 ZINC000809999549 659956088 /nfs/dbraw/zinc/95/60/88/659956088.db2.gz KEYZSTFJQILHJT-MEDUHNTESA-N 1 1 389.235 2.913 20 5 GFBDMO COC(=O)[C@]12C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]1COCC2 ZINC000809999549 659956098 /nfs/dbraw/zinc/95/60/98/659956098.db2.gz KEYZSTFJQILHJT-MEDUHNTESA-N 1 1 389.235 2.913 20 5 GFBDMO C[C@@H]1CCC[N@H+]1CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810147555 659964661 /nfs/dbraw/zinc/96/46/61/659964661.db2.gz NMTZHQXNVZFBPK-LLVKDONJSA-N 1 1 389.237 2.773 20 5 GFBDMO C[C@@H]1CCCN1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810147555 659964671 /nfs/dbraw/zinc/96/46/71/659964671.db2.gz NMTZHQXNVZFBPK-LLVKDONJSA-N 1 1 389.237 2.773 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000814988707 660100268 /nfs/dbraw/zinc/10/02/68/660100268.db2.gz SPXVPPDUXHGTID-QWRGUYRKSA-N 1 1 393.868 2.786 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000848509451 661658782 /nfs/dbraw/zinc/65/87/82/661658782.db2.gz VUVNSMVZXZOIKM-KGLIPLIRSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000849412238 661718624 /nfs/dbraw/zinc/71/86/24/661718624.db2.gz IUWIHKWXGMYTFF-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000849412238 661718630 /nfs/dbraw/zinc/71/86/30/661718630.db2.gz IUWIHKWXGMYTFF-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000864883447 662389493 /nfs/dbraw/zinc/38/94/93/662389493.db2.gz AAUGYPNZPGDTCZ-KBPBESRZSA-N 1 1 382.258 2.643 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836276 662837982 /nfs/dbraw/zinc/83/79/82/662837982.db2.gz DYOLIJLWYQLEGV-HUUCEWRRSA-N 1 1 382.258 2.595 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000879022968 662913530 /nfs/dbraw/zinc/91/35/30/662913530.db2.gz DPLLBOPGMIFXGJ-GXFFZTMASA-N 1 1 383.246 2.915 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879519203 662928349 /nfs/dbraw/zinc/92/83/49/662928349.db2.gz OYJQYEHEZJGISS-QMTHXVAHSA-N 1 1 383.246 2.915 20 5 GFBDMO C[C@H](NC(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000883601109 663057732 /nfs/dbraw/zinc/05/77/32/663057732.db2.gz QUTTXGBITHPKAL-NSHDSACASA-N 1 1 397.273 2.807 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883741310 663060064 /nfs/dbraw/zinc/06/00/64/663060064.db2.gz GMRZERPJNCUPKT-GFCCVEGCSA-N 1 1 399.289 2.888 20 5 GFBDMO C[N@H+]1C[C@@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C[C@]2(C)C1 ZINC000887930628 663170689 /nfs/dbraw/zinc/17/06/89/663170689.db2.gz QBPOKKYTHTYPDB-PSLIRLAXSA-N 1 1 386.221 2.520 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000896447597 663558064 /nfs/dbraw/zinc/55/80/64/663558064.db2.gz ZAHGCVZNDKSQNA-ZIAGYGMSSA-N 1 1 397.273 2.735 20 5 GFBDMO CC[C@H](CO)[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000897237400 663596399 /nfs/dbraw/zinc/59/63/99/663596399.db2.gz IDZYLOUYDASYOJ-SECBINFHSA-N 1 1 394.230 2.569 20 5 GFBDMO O=C(NC[C@@H]1CCCC[N@@H+]1CCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880729 663623415 /nfs/dbraw/zinc/62/34/15/663623415.db2.gz MWGDFUKDCBQWEX-VIFPVBQESA-N 1 1 394.230 2.617 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000919853318 664518651 /nfs/dbraw/zinc/51/86/51/664518651.db2.gz FPMWNGKKWTYFSL-WDEREUQCSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000919853318 664518654 /nfs/dbraw/zinc/51/86/54/664518654.db2.gz FPMWNGKKWTYFSL-WDEREUQCSA-N 1 1 394.280 2.759 20 5 GFBDMO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@](O)(c3ccc(Br)cc3)C2)c1 ZINC000932810415 664839589 /nfs/dbraw/zinc/83/95/89/664839589.db2.gz SOAQYQJQSXIMGE-MRXNPFEDSA-N 1 1 395.257 2.537 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164618479 719068383 /nfs/dbraw/zinc/06/83/83/719068383.db2.gz AUVMREUGGDZNMZ-YJBOKZPZSA-N 1 1 383.408 2.999 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812356 720073631 /nfs/dbraw/zinc/07/36/31/720073631.db2.gz QTLXWXKJYGYBCP-KBXCAEBGSA-N 1 1 380.876 2.828 20 5 GFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901321 721520500 /nfs/dbraw/zinc/52/05/00/721520500.db2.gz WOPRPYVDAPMYNN-GOEBONIOSA-N 1 1 376.363 2.610 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164795823 721528162 /nfs/dbraw/zinc/52/81/62/721528162.db2.gz SNJCNSVZIHOPII-YTQUADARSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164795823 721528165 /nfs/dbraw/zinc/52/81/65/721528165.db2.gz SNJCNSVZIHOPII-YTQUADARSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045342 721953983 /nfs/dbraw/zinc/95/39/83/721953983.db2.gz SIIDNBJWCALWAD-UHFFFAOYSA-N 1 1 377.832 2.548 20 5 GFBDMO Cc1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1 ZINC001164959423 722052471 /nfs/dbraw/zinc/05/24/71/722052471.db2.gz JAQOAPIJGNBKDG-UHFFFAOYSA-N 1 1 397.479 2.812 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119511805 551217452 /nfs/dbraw/zinc/21/74/52/551217452.db2.gz BRKJWUJMHKEAQV-LBPRGKRZSA-N 1 1 375.878 2.791 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152853800 551441028 /nfs/dbraw/zinc/44/10/28/551441028.db2.gz ZYMQJWXJUVZSRI-OCCSQVGLSA-N 1 1 387.889 2.661 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000180048544 552211006 /nfs/dbraw/zinc/21/10/06/552211006.db2.gz IBHYGELHLHYEPX-CYBMUJFWSA-N 1 1 389.905 2.909 20 5 GFBDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182002361 552272660 /nfs/dbraw/zinc/27/26/60/552272660.db2.gz ZTHFROSXFZHSSO-AWEZNQCLSA-N 1 1 398.257 2.568 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000252671483 553150507 /nfs/dbraw/zinc/15/05/07/553150507.db2.gz VXFWDBWZQDGUPD-XHDPSFHLSA-N 1 1 382.258 2.914 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])c(Cl)cc1Cl)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370574558 563248568 /nfs/dbraw/zinc/24/85/68/563248568.db2.gz BGPXJDROKYAPIS-NSHDSACASA-N 1 1 388.251 2.696 20 5 GFBDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000374354472 563369150 /nfs/dbraw/zinc/36/91/50/563369150.db2.gz UJNBHQHLNHWQKC-SNVBAGLBSA-N 1 1 398.204 2.927 20 5 GFBDMO CC[N@@H+]1CCCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301247823 563397668 /nfs/dbraw/zinc/39/76/68/563397668.db2.gz LQORNHBQUHRWIZ-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO CC[N@H+]1CCCC[C@H]1CNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301247823 563397672 /nfs/dbraw/zinc/39/76/72/563397672.db2.gz LQORNHBQUHRWIZ-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO CC(C)(O)C[N@H+]1CCCN(Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000364119924 563744077 /nfs/dbraw/zinc/74/40/77/563744077.db2.gz KTBNFMDKCSHNGN-UHFFFAOYSA-N 1 1 386.290 2.636 20 5 GFBDMO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+]1CCOCC1 ZINC000291873083 563762857 /nfs/dbraw/zinc/76/28/57/563762857.db2.gz HPJPCBCZFAGAIO-JTQLQIEISA-N 1 1 376.240 2.600 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2)C1 ZINC000292077704 563772396 /nfs/dbraw/zinc/77/23/96/563772396.db2.gz QRLMXTVUUQVVPD-CQSZACIVSA-N 1 1 394.280 2.618 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416553669 563847526 /nfs/dbraw/zinc/84/75/26/563847526.db2.gz CQGKEBFQUBAFJW-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO CN(CC[N@@H+](C)C1CC1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000472693994 564231075 /nfs/dbraw/zinc/23/10/75/564231075.db2.gz ZZITWYRMJWCCRD-UHFFFAOYSA-N 1 1 382.269 2.616 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000567545479 564376509 /nfs/dbraw/zinc/37/65/09/564376509.db2.gz XFVNRZMCJQYVPN-UHFFFAOYSA-N 1 1 376.194 2.546 20 5 GFBDMO C[C@@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C2CC2)C1 ZINC000452177536 564398028 /nfs/dbraw/zinc/39/80/28/564398028.db2.gz XQJMVIPHUKMESZ-LBPRGKRZSA-N 1 1 396.285 2.843 20 5 GFBDMO C[NH+](C)CC(C)(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000545389348 564421120 /nfs/dbraw/zinc/42/11/20/564421120.db2.gz SXNUEOUQTZBIFY-UHFFFAOYSA-N 1 1 384.285 2.768 20 5 GFBDMO [NH3+][C@@H]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602012 564450492 /nfs/dbraw/zinc/45/04/92/564450492.db2.gz CZWQSDXNQSPVDL-PSASIEDQSA-N 1 1 382.269 2.697 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000525387740 564699851 /nfs/dbraw/zinc/69/98/51/564699851.db2.gz JCBXXSRADCUVJA-VXGBXAGGSA-N 1 1 375.878 2.742 20 5 GFBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000489940078 564758680 /nfs/dbraw/zinc/75/86/80/564758680.db2.gz RHXSNHWVRZPMRM-LLVKDONJSA-N 1 1 388.225 2.951 20 5 GFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCn1cc(Br)cn1 ZINC000558181718 564895560 /nfs/dbraw/zinc/89/55/60/564895560.db2.gz BLZVTBCKHHHOII-NSHDSACASA-N 1 1 396.245 2.513 20 5 GFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+](C)CCn1cc(Br)cn1 ZINC000558181718 564895562 /nfs/dbraw/zinc/89/55/62/564895562.db2.gz BLZVTBCKHHHOII-NSHDSACASA-N 1 1 396.245 2.513 20 5 GFBDMO Cc1sc(S(=O)(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467421100 564963124 /nfs/dbraw/zinc/96/31/24/564963124.db2.gz XIDNJTYDBPVQLK-NSHDSACASA-N 1 1 375.516 2.754 20 5 GFBDMO C[C@@H]1CC[N@@H+](C)CCN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000562035083 565016281 /nfs/dbraw/zinc/01/62/81/565016281.db2.gz HCHCUXRBAQPXAU-LLVKDONJSA-N 1 1 389.237 2.725 20 5 GFBDMO CC(C)[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H](C)O ZINC000562033614 565016639 /nfs/dbraw/zinc/01/66/39/565016639.db2.gz DEFKHTUXBRLFFY-JTQLQIEISA-N 1 1 378.210 2.791 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000589314808 565161832 /nfs/dbraw/zinc/16/18/32/565161832.db2.gz YOYVDVWIQNMHCB-GFCCVEGCSA-N 1 1 398.204 2.570 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597579591 565564746 /nfs/dbraw/zinc/56/47/46/565564746.db2.gz MVPCHQKTPDMXRT-UONOGXRCSA-N 1 1 386.221 2.616 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3COCC[NH2+]3)o2)c(Br)c1 ZINC000600775235 565749763 /nfs/dbraw/zinc/74/97/63/565749763.db2.gz MHWNCDRMJDLDCX-LLVKDONJSA-N 1 1 396.241 2.695 20 5 GFBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376932 565779426 /nfs/dbraw/zinc/77/94/26/565779426.db2.gz WPZYBHJJXDOYTG-OCCSQVGLSA-N 1 1 385.511 2.602 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2c(Br)cccc2[N+](=O)[O-])C1 ZINC000602290618 565836978 /nfs/dbraw/zinc/83/69/78/565836978.db2.gz IFLFNCWPWMYAQR-DGCLKSJQSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000603975473 565920680 /nfs/dbraw/zinc/92/06/80/565920680.db2.gz CHRZBWHUKZILKM-VXGBXAGGSA-N 1 1 375.878 2.789 20 5 GFBDMO CC(C)(C)CC[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000603986573 565921303 /nfs/dbraw/zinc/92/13/03/565921303.db2.gz GGTIMRVJGSKLGY-UHFFFAOYSA-N 1 1 389.905 2.991 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000610782884 566099361 /nfs/dbraw/zinc/09/93/61/566099361.db2.gz ODTIVWJNTJCVSH-UHFFFAOYSA-N 1 1 383.246 2.873 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269411 598870096 /nfs/dbraw/zinc/87/00/96/598870096.db2.gz WRWOJEHSVQHBCN-GJZGRUSLSA-N 1 1 385.472 2.866 20 5 GFBDMO C[C@@H](c1cccc(Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1)[NH+]1CCOCC1 ZINC000736200088 598796626 /nfs/dbraw/zinc/79/66/26/598796626.db2.gz RMDRJRBBMHBFNZ-ZDUSSCGKSA-N 1 1 395.423 2.912 20 5 GFBDMO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C[N@H+]1Cc1ccccc1 ZINC000820668771 606875281 /nfs/dbraw/zinc/87/52/81/606875281.db2.gz WELBVAPBBAEXTQ-DZGCQCFKSA-N 1 1 379.424 2.850 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000826569102 660457181 /nfs/dbraw/zinc/45/71/81/660457181.db2.gz PIXMSLIPHBKKFQ-GFCCVEGCSA-N 1 1 397.273 2.556 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302093 660488190 /nfs/dbraw/zinc/48/81/90/660488190.db2.gz SUCWCYLUFQVDJN-FZMZJTMJSA-N 1 1 382.258 2.832 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)C[C@@H]21 ZINC000834310005 660813325 /nfs/dbraw/zinc/81/33/25/660813325.db2.gz AZMWHTMXYRRISE-PELKAZGASA-N 1 1 388.649 2.787 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124615307 654779537 /nfs/dbraw/zinc/77/95/37/654779537.db2.gz IGXHHLZZXSNEAR-IAQYHMDHSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000124937820 654783995 /nfs/dbraw/zinc/78/39/95/654783995.db2.gz KQPQDKRUSDXKQO-JSGCOSHPSA-N 1 1 387.889 2.661 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269001216 654994645 /nfs/dbraw/zinc/99/46/45/654994645.db2.gz PDHMLSAUVNDUQG-BXUZGUMPSA-N 1 1 382.258 2.914 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1ccc(Br)cc1 ZINC000105400433 655092244 /nfs/dbraw/zinc/09/22/44/655092244.db2.gz NTMLDWNOIKPXGP-HNNXBMFYSA-N 1 1 393.241 2.585 20 5 GFBDMO O=C([C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1)N1CCCC1 ZINC000839603338 661095054 /nfs/dbraw/zinc/09/50/54/661095054.db2.gz CQDPPYFEDKZZOA-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1)N1CCCC1 ZINC000839603338 661095056 /nfs/dbraw/zinc/09/50/56/661095056.db2.gz CQDPPYFEDKZZOA-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000173920262 655185571 /nfs/dbraw/zinc/18/55/71/655185571.db2.gz JXYCBTCMOYVEEC-LBPRGKRZSA-N 1 1 399.289 2.569 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000119060214 655288443 /nfs/dbraw/zinc/28/84/43/655288443.db2.gz DPRZXJWNODXVOI-UHFFFAOYSA-N 1 1 386.861 2.772 20 5 GFBDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027583 655456469 /nfs/dbraw/zinc/45/64/69/655456469.db2.gz RELFOPLCQNIINM-WDEREUQCSA-N 1 1 389.237 2.724 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000840338630 661155630 /nfs/dbraw/zinc/15/56/30/661155630.db2.gz DBGYPGOWXVHIHT-LLVKDONJSA-N 1 1 377.413 2.735 20 5 GFBDMO CC[C@H]1CCCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000733318559 655612131 /nfs/dbraw/zinc/61/21/31/655612131.db2.gz AAIXZFHLBIVVGA-ZDUSSCGKSA-N 1 1 375.878 2.791 20 5 GFBDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798164414 659077482 /nfs/dbraw/zinc/07/74/82/659077482.db2.gz KSMUDSFWWBGDEP-NSHDSACASA-N 1 1 399.289 2.993 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000798225678 659084782 /nfs/dbraw/zinc/08/47/82/659084782.db2.gz GXDDAMBRIXLSKP-GHMZBOCLSA-N 1 1 393.868 2.786 20 5 GFBDMO Cc1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1Br ZINC000804327242 659634181 /nfs/dbraw/zinc/63/41/81/659634181.db2.gz MNFSXEXIHPAJKJ-CYBMUJFWSA-N 1 1 384.274 2.967 20 5 GFBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809815406 659941308 /nfs/dbraw/zinc/94/13/08/659941308.db2.gz GWTFJWLJVNULBC-SECBINFHSA-N 1 1 382.269 2.522 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817471 659941585 /nfs/dbraw/zinc/94/15/85/659941585.db2.gz CBNWVCWJMQGWTB-SNVBAGLBSA-N 1 1 396.296 2.864 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000809842952 659948446 /nfs/dbraw/zinc/94/84/46/659948446.db2.gz JUDUDNRXCKYWOR-LBPRGKRZSA-N 1 1 375.878 2.661 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000813442399 660054222 /nfs/dbraw/zinc/05/42/22/660054222.db2.gz ABTVIVBWIXWHKB-KBPBESRZSA-N 1 1 388.251 2.573 20 5 GFBDMO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853764517 661899714 /nfs/dbraw/zinc/89/97/14/661899714.db2.gz WOOXCIDKKMABPF-JTQLQIEISA-N 1 1 377.413 2.876 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000853764517 661899716 /nfs/dbraw/zinc/89/97/16/661899716.db2.gz WOOXCIDKKMABPF-JTQLQIEISA-N 1 1 377.413 2.876 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000865893980 662449641 /nfs/dbraw/zinc/44/96/41/662449641.db2.gz GHRIGXHOFZETIZ-ZDUSSCGKSA-N 1 1 384.274 2.700 20 5 GFBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000866458043 662474438 /nfs/dbraw/zinc/47/44/38/662474438.db2.gz XMYFGBZMPQJKFB-CMPLNLGQSA-N 1 1 382.258 2.641 20 5 GFBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662106 662784087 /nfs/dbraw/zinc/78/40/87/662784087.db2.gz BQVVRDMHZSGTGD-RYUDHWBXSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662106 662784091 /nfs/dbraw/zinc/78/40/91/662784091.db2.gz BQVVRDMHZSGTGD-RYUDHWBXSA-N 1 1 394.280 2.759 20 5 GFBDMO Cc1c(Br)c(NC[C@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896523429 663560553 /nfs/dbraw/zinc/56/05/53/663560553.db2.gz OLDCFZCWSSKHTP-GFCCVEGCSA-N 1 1 385.262 2.726 20 5 GFBDMO Cc1c(Br)c(NC[C@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896523429 663560557 /nfs/dbraw/zinc/56/05/57/663560557.db2.gz OLDCFZCWSSKHTP-GFCCVEGCSA-N 1 1 385.262 2.726 20 5 GFBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913275256 664330733 /nfs/dbraw/zinc/33/07/33/664330733.db2.gz SSQRPWAEOPDFGS-IYBDPMFKSA-N 1 1 382.258 2.771 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721783 720374922 /nfs/dbraw/zinc/37/49/22/720374922.db2.gz BAPLPAKWXOVEEU-OALUTQOASA-N 1 1 376.420 2.786 20 5 GFBDMO CN(C)/C=C\c1cc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728766 720432230 /nfs/dbraw/zinc/43/22/30/720432230.db2.gz GIMLQFSXXCBNJF-CVLYKSAASA-N 1 1 394.479 2.770 20 5 GFBDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837887 720509205 /nfs/dbraw/zinc/50/92/05/720509205.db2.gz QLVLKENBPBKETP-JENIJYKNSA-N 1 1 384.484 2.873 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164786772 721403893 /nfs/dbraw/zinc/40/38/93/721403893.db2.gz PCUQAWGYWKBMMG-VXGBXAGGSA-N 1 1 379.873 2.976 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153796265 551461206 /nfs/dbraw/zinc/46/12/06/551461206.db2.gz VWZXUPHPFYIGKW-UHFFFAOYSA-N 1 1 395.257 2.953 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000183472768 552310707 /nfs/dbraw/zinc/31/07/07/552310707.db2.gz MENPBVSUFSYDAX-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246117849 553102864 /nfs/dbraw/zinc/10/28/64/553102864.db2.gz ALGKVEQHJPEFAP-HIFRSBDPSA-N 1 1 396.285 2.985 20 5 GFBDMO C[C@@H](c1ccccc1Br)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246952083 553115839 /nfs/dbraw/zinc/11/58/39/553115839.db2.gz ATZDGYRAUDXKCX-WCQYABFASA-N 1 1 383.246 2.608 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([N+](=O)[O-])ccc2Br)C1 ZINC000252671482 553150443 /nfs/dbraw/zinc/15/04/43/553150443.db2.gz VXFWDBWZQDGUPD-NHYWBVRUSA-N 1 1 382.258 2.914 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000370337016 563240540 /nfs/dbraw/zinc/24/05/40/563240540.db2.gz DPNPDBYILMWLPB-AWEZNQCLSA-N 1 1 382.258 2.597 20 5 GFBDMO CN(Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000421001882 563293541 /nfs/dbraw/zinc/29/35/41/563293541.db2.gz QCMXSXIZDUJNCD-CYBMUJFWSA-N 1 1 389.237 2.725 20 5 GFBDMO CC[NH+]1CCC(N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301241252 563398033 /nfs/dbraw/zinc/39/80/33/563398033.db2.gz GDBUUXYRECLERM-UHFFFAOYSA-N 1 1 377.413 2.512 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)C1 ZINC000301649775 563409791 /nfs/dbraw/zinc/40/97/91/563409791.db2.gz FRZCTYHBJDBYOH-AWEZNQCLSA-N 1 1 383.290 2.574 20 5 GFBDMO Cc1[nH+]ccn1CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000283456105 563445409 /nfs/dbraw/zinc/44/54/09/563445409.db2.gz FIRMYLVMUCNKIE-UHFFFAOYSA-N 1 1 393.252 2.775 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)[C@@H]2C1 ZINC000376664247 563450268 /nfs/dbraw/zinc/45/02/68/563450268.db2.gz OSURHJAIKIVQTH-NOZJJQNGSA-N 1 1 386.221 2.663 20 5 GFBDMO C[C@]12CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C[C@H]1C2(Cl)Cl ZINC000284319775 563470687 /nfs/dbraw/zinc/47/06/87/563470687.db2.gz AXTWJAQDXBSVKC-YUELXQCFSA-N 1 1 375.252 2.850 20 5 GFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)CCn1cc(Br)cn1 ZINC000288806525 563657604 /nfs/dbraw/zinc/65/76/04/563657604.db2.gz MEIJSIWYGWRZPB-LLVKDONJSA-N 1 1 396.245 2.513 20 5 GFBDMO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+](C)CCn1cc(Br)cn1 ZINC000288806525 563657607 /nfs/dbraw/zinc/65/76/07/563657607.db2.gz MEIJSIWYGWRZPB-LLVKDONJSA-N 1 1 396.245 2.513 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])cc(Br)c1F ZINC000367644860 563851117 /nfs/dbraw/zinc/85/11/17/563851117.db2.gz OHALCBSZGFXSKS-UHFFFAOYSA-N 1 1 397.204 2.959 20 5 GFBDMO O=c1c(Cl)cc([N+](=O)[O-])cn1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000474346664 564275021 /nfs/dbraw/zinc/27/50/21/564275021.db2.gz JRDREOMIVKVKCH-UHFFFAOYSA-N 1 1 383.589 2.868 20 5 GFBDMO CCCN(CC[NH+]1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000510507618 564336544 /nfs/dbraw/zinc/33/65/44/564336544.db2.gz IMWLJEFTMNJELN-UHFFFAOYSA-N 1 1 375.516 2.851 20 5 GFBDMO CCn1cc([C@H](C)[NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cn1 ZINC000451896714 564363793 /nfs/dbraw/zinc/36/37/93/564363793.db2.gz SMDBBDVUEUAUAI-JTQLQIEISA-N 1 1 396.245 2.863 20 5 GFBDMO CCc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000512925510 564416145 /nfs/dbraw/zinc/41/61/45/564416145.db2.gz IOMYAXOITOEQRK-CQSZACIVSA-N 1 1 383.495 2.800 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000457092074 564646250 /nfs/dbraw/zinc/64/62/50/564646250.db2.gz NITFJMQPRJMBEB-AWEZNQCLSA-N 1 1 384.274 2.841 20 5 GFBDMO COc1ccncc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000552060431 564675845 /nfs/dbraw/zinc/67/58/45/564675845.db2.gz VBROEKDEQRJGRE-UHFFFAOYSA-N 1 1 399.188 2.893 20 5 GFBDMO C[C@@H]1CC[N@@H+](CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315434 565160938 /nfs/dbraw/zinc/16/09/38/565160938.db2.gz OBURFSJSJHZBSD-LLVKDONJSA-N 1 1 389.237 2.631 20 5 GFBDMO C[C@@H]1CCN(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315434 565160944 /nfs/dbraw/zinc/16/09/44/565160944.db2.gz OBURFSJSJHZBSD-LLVKDONJSA-N 1 1 389.237 2.631 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410390 565475176 /nfs/dbraw/zinc/47/51/76/565475176.db2.gz LCHYIIOLTVFFQJ-ZDUSSCGKSA-N 1 1 387.889 2.649 20 5 GFBDMO Cc1cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376930 565778975 /nfs/dbraw/zinc/77/89/75/565778975.db2.gz WPZYBHJJXDOYTG-GXTWGEPZSA-N 1 1 385.511 2.602 20 5 GFBDMO CC1(C)[C@@H](Nc2ncc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+]1CCOCC1 ZINC000603400492 565902896 /nfs/dbraw/zinc/90/28/96/565902896.db2.gz YMOKQEJUYGRKTF-STQMWFEESA-N 1 1 385.262 2.664 20 5 GFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820728854 606138726 /nfs/dbraw/zinc/13/87/26/606138726.db2.gz ZNJGXQVSTPQFOU-OAHLLOKOSA-N 1 1 393.451 2.876 20 5 GFBDMO Nc1ccc(N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)c[nH+]1 ZINC000820645082 660301396 /nfs/dbraw/zinc/30/13/96/660301396.db2.gz OGIKCRMBGYWRHW-UHFFFAOYSA-N 1 1 378.230 2.661 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000832763764 660798995 /nfs/dbraw/zinc/79/89/95/660798995.db2.gz DUAXKKPXJOGHNM-GFCCVEGCSA-N 1 1 375.878 2.660 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940685 654953297 /nfs/dbraw/zinc/95/32/97/654953297.db2.gz RWHCHPGLQPFBNA-JOYOIKCWSA-N 1 1 388.237 2.909 20 5 GFBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCCOC1 ZINC000107687970 655123635 /nfs/dbraw/zinc/12/36/35/655123635.db2.gz KAXBQWSBMPFIIM-NSHDSACASA-N 1 1 386.246 2.654 20 5 GFBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCOC1 ZINC000107687974 655123646 /nfs/dbraw/zinc/12/36/46/655123646.db2.gz KAXBQWSBMPFIIM-LLVKDONJSA-N 1 1 386.246 2.654 20 5 GFBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839604122 661095040 /nfs/dbraw/zinc/09/50/40/661095040.db2.gz KSHPZOMRIYHGRJ-UHFFFAOYSA-N 1 1 387.322 2.673 20 5 GFBDMO CN(CCCN(C)Cc1cccc([N+](=O)[O-])c1Br)CC[NH+](C)C ZINC000839604122 661095043 /nfs/dbraw/zinc/09/50/43/661095043.db2.gz KSHPZOMRIYHGRJ-UHFFFAOYSA-N 1 1 387.322 2.673 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)C1 ZINC000839518461 661089661 /nfs/dbraw/zinc/08/96/61/661089661.db2.gz BZCGVZAQSBMZJQ-HNNXBMFYSA-N 1 1 397.317 2.569 20 5 GFBDMO C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C[N@H+]1C ZINC000577027580 655456453 /nfs/dbraw/zinc/45/64/53/655456453.db2.gz RELFOPLCQNIINM-MNOVXSKESA-N 1 1 389.237 2.724 20 5 GFBDMO C[C@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000840177605 661144322 /nfs/dbraw/zinc/14/43/22/661144322.db2.gz IUVHVBUVXXLNIM-ZDUSSCGKSA-N 1 1 394.273 2.718 20 5 GFBDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755013948 655878462 /nfs/dbraw/zinc/87/84/62/655878462.db2.gz SVTTTZFZUYPDCX-CYBMUJFWSA-N 1 1 388.237 2.909 20 5 GFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755013948 655878463 /nfs/dbraw/zinc/87/84/63/655878463.db2.gz SVTTTZFZUYPDCX-CYBMUJFWSA-N 1 1 388.237 2.909 20 5 GFBDMO C[N@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCSC1 ZINC000795442249 658819884 /nfs/dbraw/zinc/81/98/84/658819884.db2.gz LIGIXRWCDYQNTC-JTQLQIEISA-N 1 1 386.271 2.708 20 5 GFBDMO C[N@@H+](CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O)[C@H]1CCSC1 ZINC000795442249 658819889 /nfs/dbraw/zinc/81/98/89/658819889.db2.gz LIGIXRWCDYQNTC-JTQLQIEISA-N 1 1 386.271 2.708 20 5 GFBDMO COC(=O)CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@H](C)C1 ZINC000809973186 659954204 /nfs/dbraw/zinc/95/42/04/659954204.db2.gz VBRLJNLHRCPRLA-LLVKDONJSA-N 1 1 390.267 2.971 20 5 GFBDMO NC(CC1CC1)=[NH+]OCc1cc(I)cc([N+](=O)[O-])c1 ZINC000809997103 659955456 /nfs/dbraw/zinc/95/54/56/659955456.db2.gz RAQDWXVOMCQBOH-UHFFFAOYSA-N 1 1 375.166 2.998 20 5 GFBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000842482125 661341376 /nfs/dbraw/zinc/34/13/76/661341376.db2.gz OYXUOESUFGMTJU-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000866458046 662474615 /nfs/dbraw/zinc/47/46/15/662474615.db2.gz XMYFGBZMPQJKFB-ZYHUDNBSSA-N 1 1 382.258 2.641 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000867812923 662579589 /nfs/dbraw/zinc/57/95/89/662579589.db2.gz OAMZNBYNZVCNSW-BXKDBHETSA-N 1 1 394.280 2.616 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874827153 662837654 /nfs/dbraw/zinc/83/76/54/662837654.db2.gz CAGRGZFEVJHSJZ-LSDHHAIUSA-N 1 1 382.258 2.974 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000889715517 663258098 /nfs/dbraw/zinc/25/80/98/663258098.db2.gz FUCWSKHNQVEQIM-TZMCWYRMSA-N 1 1 397.273 2.593 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)NCc3ccc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000889715515 663258137 /nfs/dbraw/zinc/25/81/37/663258137.db2.gz FUCWSKHNQVEQIM-JSGCOSHPSA-N 1 1 397.273 2.593 20 5 GFBDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889719161 663259794 /nfs/dbraw/zinc/25/97/94/663259794.db2.gz PETNWIPGKYTKNT-CYBMUJFWSA-N 1 1 385.262 2.593 20 5 GFBDMO O=[N+]([O-])c1cc(Br)cnc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000894844169 663484750 /nfs/dbraw/zinc/48/47/50/663484750.db2.gz WSBULYFSNBYTAZ-UHFFFAOYSA-N 1 1 392.257 2.512 20 5 GFBDMO COCC[N@@H+](C)CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895713750 663524751 /nfs/dbraw/zinc/52/47/51/663524751.db2.gz UTCGUSJRWJOPRP-UHFFFAOYSA-N 1 1 382.219 2.739 20 5 GFBDMO CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000897342314 663601835 /nfs/dbraw/zinc/60/18/35/663601835.db2.gz ALSRMIZHJPHBCS-JTQLQIEISA-N 1 1 376.276 2.813 20 5 GFBDMO O=C(NC[C@H]1CCC[N@@H+]1CCCO)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897876377 663623403 /nfs/dbraw/zinc/62/34/03/663623403.db2.gz LDTAYSCJINLKKJ-SECBINFHSA-N 1 1 394.230 2.617 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000925761623 664674402 /nfs/dbraw/zinc/67/44/02/664674402.db2.gz DADHVIWSOURQQK-KFWWJZLASA-N 1 1 384.274 2.604 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000929659074 664755730 /nfs/dbraw/zinc/75/57/30/664755730.db2.gz ZCWYCMAIBBRPGL-UHFFFAOYSA-N 1 1 386.290 2.636 20 5 GFBDMO Cc1c(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251826 664789270 /nfs/dbraw/zinc/78/92/70/664789270.db2.gz BOWOSHBOUNXWSM-YGRLFVJLSA-N 1 1 383.246 2.834 20 5 GFBDMO O=C1N[C@H](C2CC[NH+](Cc3cc([N+](=O)[O-])ccc3Br)CC2)CO1 ZINC000932770780 664836594 /nfs/dbraw/zinc/83/65/94/664836594.db2.gz QUXOUTNOTBTGTJ-AWEZNQCLSA-N 1 1 384.230 2.678 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])c3cc[nH]c3n1)C2 ZINC001164813795 720145601 /nfs/dbraw/zinc/14/56/01/720145601.db2.gz QQEMUMGKFALODT-QRWLVFNGSA-N 1 1 385.468 2.656 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729051 720372166 /nfs/dbraw/zinc/37/21/66/720372166.db2.gz UWIUFSADPWETHU-OALUTQOASA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729049 720372917 /nfs/dbraw/zinc/37/29/17/720372917.db2.gz UWIUFSADPWETHU-MOPGFXCFSA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c21 ZINC001164726197 720471951 /nfs/dbraw/zinc/47/19/51/720471951.db2.gz KQBFAENIGMBVGN-SJORKVTESA-N 1 1 376.420 2.786 20 5 GFBDMO c1cnc2c(c1)ccc1ccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc12 ZINC001164742362 720653433 /nfs/dbraw/zinc/65/34/33/720653433.db2.gz MZZCZBPOSMLTFY-RTBURBONSA-N 1 1 398.470 2.915 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164791597 721402504 /nfs/dbraw/zinc/40/25/04/721402504.db2.gz ZPYXMWKVNPGRHQ-TXEJJXNPSA-N 1 1 379.873 2.976 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164791597 721402505 /nfs/dbraw/zinc/40/25/05/721402505.db2.gz ZPYXMWKVNPGRHQ-TXEJJXNPSA-N 1 1 379.873 2.976 20 5 GFBDMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154786687 551482607 /nfs/dbraw/zinc/48/26/07/551482607.db2.gz FAZOZTYVNJQZPU-BXUZGUMPSA-N 1 1 382.258 2.595 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc([N+](=O)[O-])c2Br)C1 ZINC000190426573 552496013 /nfs/dbraw/zinc/49/60/13/552496013.db2.gz BINKVOJYPRBBPE-DGCLKSJQSA-N 1 1 382.258 2.914 20 5 GFBDMO CCCn1cc[nH+]c1CCCN(C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000192235692 552557491 /nfs/dbraw/zinc/55/74/91/552557491.db2.gz HQPMXGNFFQUKFM-UHFFFAOYSA-N 1 1 386.499 2.735 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369538675 563216516 /nfs/dbraw/zinc/21/65/16/563216516.db2.gz DMFWFSAWDWGKIQ-YGRLFVJLSA-N 1 1 387.508 2.689 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000295179957 563233194 /nfs/dbraw/zinc/23/31/94/563233194.db2.gz IKPLSNHRFZASFN-SECBINFHSA-N 1 1 394.280 2.664 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)C1 ZINC000301649776 563409557 /nfs/dbraw/zinc/40/95/57/563409557.db2.gz FRZCTYHBJDBYOH-CQSZACIVSA-N 1 1 383.290 2.574 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805946 563721839 /nfs/dbraw/zinc/72/18/39/563721839.db2.gz RUIYODSOSFJOLP-CABZTGNLSA-N 1 1 396.296 2.862 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000290858187 563724004 /nfs/dbraw/zinc/72/40/04/563724004.db2.gz XCYBXFSPGBMUKF-MFKMUULPSA-N 1 1 393.868 2.738 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363517268 563725195 /nfs/dbraw/zinc/72/51/95/563725195.db2.gz ZOZXNLFHONBVRV-GHMZBOCLSA-N 1 1 375.397 2.630 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000440088335 563736333 /nfs/dbraw/zinc/73/63/33/563736333.db2.gz NOZKEJJNTDQSAM-LBPRGKRZSA-N 1 1 375.878 2.708 20 5 GFBDMO O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365539517 563785929 /nfs/dbraw/zinc/78/59/29/563785929.db2.gz PZRFOVKVSAYLHG-GUTXKFCHSA-N 1 1 394.269 2.914 20 5 GFBDMO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCNC1=O ZINC000538798135 564201188 /nfs/dbraw/zinc/20/11/88/564201188.db2.gz OZBMBYXRIJXPDI-CQSZACIVSA-N 1 1 394.225 2.938 20 5 GFBDMO C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)[C@@H]1CCNC1=O ZINC000538798135 564201192 /nfs/dbraw/zinc/20/11/92/564201192.db2.gz OZBMBYXRIJXPDI-CQSZACIVSA-N 1 1 394.225 2.938 20 5 GFBDMO CCS(=O)(=O)N1CCC([C@@H](C)[N@@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000564249358 564225543 /nfs/dbraw/zinc/22/55/43/564225543.db2.gz BBDDTVYFBGNZNW-GFCCVEGCSA-N 1 1 375.516 2.538 20 5 GFBDMO CC[N@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000564400087 564231378 /nfs/dbraw/zinc/23/13/78/564231378.db2.gz PDOLKYLWZBXLKE-NSHDSACASA-N 1 1 389.237 2.725 20 5 GFBDMO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]Cc2nc(C(F)(F)F)cs2)c1 ZINC000564854110 564253063 /nfs/dbraw/zinc/25/30/63/564253063.db2.gz JAIVOQWDYDZYEH-JTQLQIEISA-N 1 1 377.344 2.600 20 5 GFBDMO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000513001612 564418134 /nfs/dbraw/zinc/41/81/34/564418134.db2.gz KIBHLZXESIDVSC-UHFFFAOYSA-N 1 1 383.857 2.625 20 5 GFBDMO CCOC1CC([N@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000569155431 564451027 /nfs/dbraw/zinc/45/10/27/564451027.db2.gz GIEPAYKOHKBBIJ-UHFFFAOYSA-N 1 1 386.246 2.795 20 5 GFBDMO CCOC1CC([N@@H+](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000569155431 564451030 /nfs/dbraw/zinc/45/10/30/564451030.db2.gz GIEPAYKOHKBBIJ-UHFFFAOYSA-N 1 1 386.246 2.795 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000553883015 564743295 /nfs/dbraw/zinc/74/32/95/564743295.db2.gz LHQRTKCBDMMWJP-CYBMUJFWSA-N 1 1 387.458 2.685 20 5 GFBDMO CNC(=O)[C@H](CCSC)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000554719449 564772106 /nfs/dbraw/zinc/77/21/06/564772106.db2.gz VEAPXTZYOPWQNF-AWEZNQCLSA-N 1 1 380.495 2.676 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000467047026 564954695 /nfs/dbraw/zinc/95/46/95/564954695.db2.gz AKYINXSNROLUNV-TUAOUCFPSA-N 1 1 375.516 2.609 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000562036207 565016353 /nfs/dbraw/zinc/01/63/53/565016353.db2.gz GCJHNEHZUWRIAX-UHFFFAOYSA-N 1 1 390.221 2.936 20 5 GFBDMO CC[N@@H+](CCNCc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000589311556 565161418 /nfs/dbraw/zinc/16/14/18/565161418.db2.gz LYLYITUJBFFJPP-UHFFFAOYSA-N 1 1 389.237 2.773 20 5 GFBDMO CCN(CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000589311556 565161419 /nfs/dbraw/zinc/16/14/19/565161419.db2.gz LYLYITUJBFFJPP-UHFFFAOYSA-N 1 1 389.237 2.773 20 5 GFBDMO CCC(C)(C)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000594473501 565392648 /nfs/dbraw/zinc/39/26/48/565392648.db2.gz DHSUFUZDRXPCAX-UHFFFAOYSA-N 1 1 375.878 2.743 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595827438 565492455 /nfs/dbraw/zinc/49/24/55/565492455.db2.gz QACPYVAAUVTPCV-VXGBXAGGSA-N 1 1 388.205 2.668 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000595827438 565492459 /nfs/dbraw/zinc/49/24/59/565492459.db2.gz QACPYVAAUVTPCV-VXGBXAGGSA-N 1 1 388.205 2.668 20 5 GFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000609352661 566036855 /nfs/dbraw/zinc/03/68/55/566036855.db2.gz BYCAYZQATKVSSU-TXEJJXNPSA-N 1 1 375.878 2.789 20 5 GFBDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318560 607530584 /nfs/dbraw/zinc/53/05/84/607530584.db2.gz PKHRUWGZDYXDDI-SFHVURJKSA-N 1 1 382.424 2.721 20 5 GFBDMO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825318559 607530726 /nfs/dbraw/zinc/53/07/26/607530726.db2.gz PKHRUWGZDYXDDI-GOSISDBHSA-N 1 1 382.424 2.721 20 5 GFBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000823205424 660365006 /nfs/dbraw/zinc/36/50/06/660365006.db2.gz OYWUCWRCGROZKN-NSHDSACASA-N 1 1 384.230 2.631 20 5 GFBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000823205424 660365008 /nfs/dbraw/zinc/36/50/08/660365008.db2.gz OYWUCWRCGROZKN-NSHDSACASA-N 1 1 384.230 2.631 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1Br ZINC000824655400 660398785 /nfs/dbraw/zinc/39/87/85/660398785.db2.gz WGRUDJDZYUENMK-UMVBOHGHSA-N 1 1 385.258 2.719 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)ccc1Br ZINC000824655400 660398787 /nfs/dbraw/zinc/39/87/87/660398787.db2.gz WGRUDJDZYUENMK-UMVBOHGHSA-N 1 1 385.258 2.719 20 5 GFBDMO O=C1OCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000824450877 660392235 /nfs/dbraw/zinc/39/22/35/660392235.db2.gz AJADJORYJHQBRG-GFCCVEGCSA-N 1 1 384.230 2.631 20 5 GFBDMO O=C1OCCN1C[C@@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000824450877 660392239 /nfs/dbraw/zinc/39/22/39/660392239.db2.gz AJADJORYJHQBRG-GFCCVEGCSA-N 1 1 384.230 2.631 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC(Cn3ccnn3)CC2)ccc1Br ZINC000271400364 655079873 /nfs/dbraw/zinc/07/98/73/655079873.db2.gz VOSSRUFICPMEIP-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247979590 655432153 /nfs/dbraw/zinc/43/21/53/655432153.db2.gz MCCPMQUZFCFCMM-JSGCOSHPSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000725822607 655526941 /nfs/dbraw/zinc/52/69/41/655526941.db2.gz HUIHPOXTXLIVTJ-VXGBXAGGSA-N 1 1 375.878 2.789 20 5 GFBDMO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)[C@@H]2CC2[N+](=O)[O-])CC1 ZINC000840465465 661164403 /nfs/dbraw/zinc/16/44/03/661164403.db2.gz KWCKMZLRUCIINL-GDBMZVCRSA-N 1 1 396.285 2.537 20 5 GFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCOCC3)CC2)c(Br)c1 ZINC000742408390 655717799 /nfs/dbraw/zinc/71/77/99/655717799.db2.gz AOGQFBKMAIDWTO-UHFFFAOYSA-N 1 1 384.274 2.906 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000771555471 656352738 /nfs/dbraw/zinc/35/27/38/656352738.db2.gz GGOPPGXMXRUNBS-LBPRGKRZSA-N 1 1 375.878 2.708 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000779191540 656904443 /nfs/dbraw/zinc/90/44/43/656904443.db2.gz QZZQSSTZICVDHP-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO Cc1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1Br ZINC000804327244 659633762 /nfs/dbraw/zinc/63/37/62/659633762.db2.gz MNFSXEXIHPAJKJ-ZDUSSCGKSA-N 1 1 384.274 2.967 20 5 GFBDMO C[C@@H]1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000808326168 659888681 /nfs/dbraw/zinc/88/86/81/659888681.db2.gz NKTAPGACBOTRLQ-IUODEOHRSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@@H]1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000808326168 659888683 /nfs/dbraw/zinc/88/86/83/659888683.db2.gz NKTAPGACBOTRLQ-IUODEOHRSA-N 1 1 381.479 2.598 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C1CC1 ZINC000809814014 659941357 /nfs/dbraw/zinc/94/13/57/659941357.db2.gz WHCGYNVBTLTABF-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809816646 659941702 /nfs/dbraw/zinc/94/17/02/659941702.db2.gz MLZUGXFOVMFYAL-JTQLQIEISA-N 1 1 394.280 2.759 20 5 GFBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809816646 659941704 /nfs/dbraw/zinc/94/17/04/659941704.db2.gz MLZUGXFOVMFYAL-JTQLQIEISA-N 1 1 394.280 2.759 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817470 659941724 /nfs/dbraw/zinc/94/17/24/659941724.db2.gz CBNWVCWJMQGWTB-JTQLQIEISA-N 1 1 396.296 2.864 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814980923 660099914 /nfs/dbraw/zinc/09/99/14/660099914.db2.gz VDDGURFNGXNGFQ-LLVKDONJSA-N 1 1 393.868 2.930 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000815018718 660102125 /nfs/dbraw/zinc/10/21/25/660102125.db2.gz YZMMGZGHDNXFRE-ZWNOBZJWSA-N 1 1 393.868 2.738 20 5 GFBDMO COCCCC[N@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000841692080 661309251 /nfs/dbraw/zinc/30/92/51/661309251.db2.gz OULXKHLDBJIIEM-UHFFFAOYSA-N 1 1 386.246 2.629 20 5 GFBDMO COCCCC[N@@H+](C)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000841692080 661309257 /nfs/dbraw/zinc/30/92/57/661309257.db2.gz OULXKHLDBJIIEM-UHFFFAOYSA-N 1 1 386.246 2.629 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000842480997 661341188 /nfs/dbraw/zinc/34/11/88/661341188.db2.gz CTNLADWGBXGYCV-LLVKDONJSA-N 1 1 381.841 2.935 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000864883448 662389513 /nfs/dbraw/zinc/38/95/13/662389513.db2.gz AAUGYPNZPGDTCZ-KGLIPLIRSA-N 1 1 382.258 2.643 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827151 662837619 /nfs/dbraw/zinc/83/76/19/662837619.db2.gz CAGRGZFEVJHSJZ-GJZGRUSLSA-N 1 1 382.258 2.974 20 5 GFBDMO O=C(NC[C@@H]1CC[N@H+]1C1CCOCC1)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000885886198 663100504 /nfs/dbraw/zinc/10/05/04/663100504.db2.gz SUKPHQLOFWCVII-LBPRGKRZSA-N 1 1 388.251 2.885 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756611 663263623 /nfs/dbraw/zinc/26/36/23/663263623.db2.gz PEPPCDZXZTWPQM-ZIAGYGMSSA-N 1 1 388.251 2.573 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H](C)[N@H+]1CCO ZINC000897904552 663624943 /nfs/dbraw/zinc/62/49/43/663624943.db2.gz DIEDSONCJFNFCP-DTORHVGOSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C[C@H](C)[N@@H+]1CCO ZINC000897904552 663624949 /nfs/dbraw/zinc/62/49/49/663624949.db2.gz DIEDSONCJFNFCP-DTORHVGOSA-N 1 1 394.230 2.568 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000930075103 664762150 /nfs/dbraw/zinc/76/21/50/664762150.db2.gz AGQBGTHMVMHXQT-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000930075103 664762151 /nfs/dbraw/zinc/76/21/51/664762151.db2.gz AGQBGTHMVMHXQT-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164625850 719112498 /nfs/dbraw/zinc/11/24/98/719112498.db2.gz HEMJMSQGHWOHRG-QFBILLFUSA-N 1 1 396.447 2.877 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c21 ZINC001164726187 720471637 /nfs/dbraw/zinc/47/16/37/720471637.db2.gz KQBFAENIGMBVGN-DLBZAZTESA-N 1 1 376.420 2.786 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164961891 722052265 /nfs/dbraw/zinc/05/22/65/722052265.db2.gz XNRGIDPKEOSEPS-UHFFFAOYSA-N 1 1 397.479 2.812 20 5 GFBDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000359934592 206271267 /nfs/dbraw/zinc/27/12/67/206271267.db2.gz INNMETPPFNFMTG-UHFFFAOYSA-N 1 1 381.392 2.569 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000030361880 207369507 /nfs/dbraw/zinc/36/95/07/207369507.db2.gz WWXBLKNWTRYWOR-MRXNPFEDSA-N 1 1 375.450 2.538 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000030361880 207369509 /nfs/dbraw/zinc/36/95/09/207369509.db2.gz WWXBLKNWTRYWOR-MRXNPFEDSA-N 1 1 375.450 2.538 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000125691886 551323216 /nfs/dbraw/zinc/32/32/16/551323216.db2.gz MWPKTNKUMIYTHN-TZMCWYRMSA-N 1 1 385.511 2.602 20 5 GFBDMO C[C@H]1C[C@@H](N(C)C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000153026722 551445324 /nfs/dbraw/zinc/44/53/24/551445324.db2.gz GKDMHNJKGVHXCU-AAEUAGOBSA-N 1 1 384.274 2.841 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000173955173 552095837 /nfs/dbraw/zinc/09/58/37/552095837.db2.gz LBTQNGRKVNBQBM-GFCCVEGCSA-N 1 1 375.878 2.601 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000175528936 552124008 /nfs/dbraw/zinc/12/40/08/552124008.db2.gz HSUOAGONXQCFFA-CYBMUJFWSA-N 1 1 382.214 2.983 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728693 552145170 /nfs/dbraw/zinc/14/51/70/552145170.db2.gz IRGQCJZJCXWQKG-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CCC[N@H+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000178768065 552174824 /nfs/dbraw/zinc/17/48/24/552174824.db2.gz JOUOTIRXNLBIEN-UHFFFAOYSA-N 1 1 382.258 2.976 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000179215452 552187247 /nfs/dbraw/zinc/18/72/47/552187247.db2.gz SVCMVYUFFDAQNB-OAHLLOKOSA-N 1 1 393.241 2.585 20 5 GFBDMO CCCC[N@@H+](CCCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000182135175 552276299 /nfs/dbraw/zinc/27/62/99/552276299.db2.gz GONILBYTDLCTBM-UHFFFAOYSA-N 1 1 388.262 2.780 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000183726351 552318225 /nfs/dbraw/zinc/31/82/25/552318225.db2.gz GBJDXJPNYGYGFH-NWDGAFQWSA-N 1 1 375.878 2.517 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246899200 553114781 /nfs/dbraw/zinc/11/47/81/553114781.db2.gz JQMLCXAPBCMVLY-NHYWBVRUSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC[N@H+](C2CC2)C1 ZINC000295229168 563236750 /nfs/dbraw/zinc/23/67/50/563236750.db2.gz BJYJLZCGNUSSHM-LLVKDONJSA-N 1 1 382.258 2.914 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281227326 563370420 /nfs/dbraw/zinc/37/04/20/563370420.db2.gz RUSHHQYCAKYQBE-LLVKDONJSA-N 1 1 393.868 2.740 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000281228943 563370530 /nfs/dbraw/zinc/37/05/30/563370530.db2.gz RUSHHQYCAKYQBE-NSHDSACASA-N 1 1 393.868 2.740 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCCCCC2)s1 ZINC000375276912 563398465 /nfs/dbraw/zinc/39/84/65/563398465.db2.gz VJKIVXJWAOIXAG-ZDUSSCGKSA-N 1 1 387.527 2.905 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000425421631 563421457 /nfs/dbraw/zinc/42/14/57/563421457.db2.gz OANCOEOZGFSHTO-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000425421631 563421460 /nfs/dbraw/zinc/42/14/60/563421460.db2.gz OANCOEOZGFSHTO-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@H]1C[NH+]1CCOCC1 ZINC000425423279 563421569 /nfs/dbraw/zinc/42/15/69/563421569.db2.gz UGJWENGHHVXNQT-HNNXBMFYSA-N 1 1 384.274 2.654 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])s1 ZINC000425439622 563423230 /nfs/dbraw/zinc/42/32/30/563423230.db2.gz BSUBCTIHNZTKIN-UHFFFAOYSA-N 1 1 383.495 2.932 20 5 GFBDMO C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000285395285 563518715 /nfs/dbraw/zinc/51/87/15/563518715.db2.gz ARQMGEUBHUDAHQ-TZMCWYRMSA-N 1 1 384.274 2.652 20 5 GFBDMO Cc1c[nH+]cn1C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000332442508 563598982 /nfs/dbraw/zinc/59/89/82/563598982.db2.gz ILKOIQDTWBISSI-UHFFFAOYSA-N 1 1 384.845 2.779 20 5 GFBDMO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000433005953 563600479 /nfs/dbraw/zinc/60/04/79/563600479.db2.gz DVXCGGIXZNKTQT-JTQLQIEISA-N 1 1 394.229 2.827 20 5 GFBDMO O=C([C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287510716 563604967 /nfs/dbraw/zinc/60/49/67/563604967.db2.gz ULJWWUVIZZRKSA-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000287510716 563604969 /nfs/dbraw/zinc/60/49/69/563604969.db2.gz ULJWWUVIZZRKSA-ZDUSSCGKSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CNCCO3)o2)c(Br)c1 ZINC000415093125 563758568 /nfs/dbraw/zinc/75/85/68/563758568.db2.gz HNMRUPKRKIPBMK-ZDUSSCGKSA-N 1 1 396.241 2.695 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)cs1 ZINC000441370579 563758977 /nfs/dbraw/zinc/75/89/77/563758977.db2.gz QXGBVAJJKBRXRX-UHFFFAOYSA-N 1 1 393.849 2.517 20 5 GFBDMO C[NH+](C)C1(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000445713408 563852555 /nfs/dbraw/zinc/85/25/55/563852555.db2.gz DVUKTJLKAQGJFL-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000476666290 564350370 /nfs/dbraw/zinc/35/03/70/564350370.db2.gz IIPMEAARILLRSC-UHFFFAOYSA-N 1 1 395.257 2.886 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000562047494 565016408 /nfs/dbraw/zinc/01/64/08/565016408.db2.gz QLMSSBXLLMOSLJ-GFCCVEGCSA-N 1 1 376.194 2.810 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)c1 ZINC000589314810 565161868 /nfs/dbraw/zinc/16/18/68/565161868.db2.gz YOYVDVWIQNMHCB-LBPRGKRZSA-N 1 1 398.204 2.570 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594789682 565421478 /nfs/dbraw/zinc/42/14/78/565421478.db2.gz KBVNFTNQQRKIDE-LLVKDONJSA-N 1 1 375.878 2.647 20 5 GFBDMO O=[N+]([O-])c1cnc(Nc2ccc3c(c2)[nH+]c2n3CCCCC2)c(-c2nn[nH]n2)c1 ZINC000823651076 599210882 /nfs/dbraw/zinc/21/08/82/599210882.db2.gz DPSMXMNYGFAICN-UHFFFAOYSA-N 1 1 391.395 2.990 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000738370241 598251791 /nfs/dbraw/zinc/25/17/91/598251791.db2.gz RZNXTWUAZCPEOJ-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000738369748 598767088 /nfs/dbraw/zinc/76/70/88/598767088.db2.gz NRBSPOOXYVSJTN-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830434886 660656323 /nfs/dbraw/zinc/65/63/23/660656323.db2.gz NWAUAELCYSRJMP-SECBINFHSA-N 1 1 382.269 2.522 20 5 GFBDMO C[C@@H]1[C@H](C(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)CC[N@H+]1C ZINC000831516512 660711892 /nfs/dbraw/zinc/71/18/92/660711892.db2.gz HNWHRGAQLVFYIG-GHMZBOCLSA-N 1 1 382.258 2.582 20 5 GFBDMO C[NH+](C)CCCC(C)(C)NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832297727 660771846 /nfs/dbraw/zinc/77/18/46/660771846.db2.gz GUENKGRLDZKKJI-UHFFFAOYSA-N 1 1 381.857 2.786 20 5 GFBDMO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000123995976 654768293 /nfs/dbraw/zinc/76/82/93/654768293.db2.gz IEASLQQVPULJJK-VXGBXAGGSA-N 1 1 399.289 2.710 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000124615593 654779510 /nfs/dbraw/zinc/77/95/10/654779510.db2.gz IGXHHLZZXSNEAR-ABAIWWIYSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000132362113 654935359 /nfs/dbraw/zinc/93/53/59/654935359.db2.gz BZAYVNGIBRHOOJ-ZDUSSCGKSA-N 1 1 387.458 2.685 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269001222 654994774 /nfs/dbraw/zinc/99/47/74/654994774.db2.gz PDHMLSAUVNDUQG-SMDDNHRTSA-N 1 1 382.258 2.914 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@H](CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000272824181 655122287 /nfs/dbraw/zinc/12/22/87/655122287.db2.gz JPKXTJSHEIKPQG-GFCCVEGCSA-N 1 1 375.516 2.840 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174823616 655208702 /nfs/dbraw/zinc/20/87/02/655208702.db2.gz PEGMKXJHAMCPEE-AWEZNQCLSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174823616 655208704 /nfs/dbraw/zinc/20/87/04/655208704.db2.gz PEGMKXJHAMCPEE-AWEZNQCLSA-N 1 1 375.878 2.542 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000120137902 655329060 /nfs/dbraw/zinc/32/90/60/655329060.db2.gz ADLNYABQBAHZFD-CYBMUJFWSA-N 1 1 389.905 2.895 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)C2)C1 ZINC000293616150 655360066 /nfs/dbraw/zinc/36/00/66/655360066.db2.gz DCVBQUDWCBEJSM-OAHLLOKOSA-N 1 1 386.221 2.664 20 5 GFBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365488645 655394430 /nfs/dbraw/zinc/39/44/30/655394430.db2.gz WZQIXIIMFVFFNV-YUTCNCBUSA-N 1 1 394.269 2.914 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000575922388 655439970 /nfs/dbraw/zinc/43/99/70/655439970.db2.gz WBIDYCZWGBLFGI-SNVBAGLBSA-N 1 1 382.269 2.712 20 5 GFBDMO COCCSc1ccc([N+](=O)[O-])cc1C(=O)OCC[NH+]1CCSCC1 ZINC000764678373 656116702 /nfs/dbraw/zinc/11/67/02/656116702.db2.gz XGZDAZREJDOORH-UHFFFAOYSA-N 1 1 386.495 2.539 20 5 GFBDMO CC(C)OCC[NH+]1CCN(Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000769468473 656277524 /nfs/dbraw/zinc/27/75/24/656277524.db2.gz KJUJXEBBIYXYLR-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000769492859 656278148 /nfs/dbraw/zinc/27/81/48/656278148.db2.gz NXZWMEVNWUUTLM-CYBMUJFWSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000769492859 656278155 /nfs/dbraw/zinc/27/81/55/656278155.db2.gz NXZWMEVNWUUTLM-CYBMUJFWSA-N 1 1 384.274 2.511 20 5 GFBDMO Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000777961022 656847211 /nfs/dbraw/zinc/84/72/11/656847211.db2.gz RKNMFXXWPLPXSQ-CQSZACIVSA-N 1 1 387.458 2.685 20 5 GFBDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc(Br)ncc1[N+](=O)[O-] ZINC000778838928 656893150 /nfs/dbraw/zinc/89/31/50/656893150.db2.gz GETXQVFCFMELCN-UHFFFAOYSA-N 1 1 383.202 2.894 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000784719617 657324105 /nfs/dbraw/zinc/32/41/05/657324105.db2.gz DGWWREKYPDPUOA-DGCLKSJQSA-N 1 1 389.905 2.955 20 5 GFBDMO C[N@@H+](CC1CCOCC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795442629 658819663 /nfs/dbraw/zinc/81/96/63/658819663.db2.gz AHPGSOWYEHJWAS-UHFFFAOYSA-N 1 1 398.257 2.629 20 5 GFBDMO CC(C)[N@@H+]1CCO[C@H](COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000802141383 659449175 /nfs/dbraw/zinc/44/91/75/659449175.db2.gz HJHRRYVYYJEROL-AWEZNQCLSA-N 1 1 387.230 2.623 20 5 GFBDMO CC(C)[N@H+]1CCO[C@H](COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000802141383 659449186 /nfs/dbraw/zinc/44/91/86/659449186.db2.gz HJHRRYVYYJEROL-AWEZNQCLSA-N 1 1 387.230 2.623 20 5 GFBDMO Cc1ccc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c([N+](=O)[O-])c1Br ZINC000804461472 659648738 /nfs/dbraw/zinc/64/87/38/659648738.db2.gz IIZHXDXOHVCKGY-CQSZACIVSA-N 1 1 397.317 2.882 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814981024 660099947 /nfs/dbraw/zinc/09/99/47/660099947.db2.gz VDDGURFNGXNGFQ-NSHDSACASA-N 1 1 393.868 2.930 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849419786 661720593 /nfs/dbraw/zinc/72/05/93/661720593.db2.gz OXOONJOTDROCCT-SECBINFHSA-N 1 1 379.841 2.538 20 5 GFBDMO CN1CCC([N@H+]2CC[C@@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000856731480 662039418 /nfs/dbraw/zinc/03/94/18/662039418.db2.gz PYUSYGFZJUAQOG-GFCCVEGCSA-N 1 1 383.290 2.938 20 5 GFBDMO C[NH+]1CCC(N2CC[C@@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000856731480 662039422 /nfs/dbraw/zinc/03/94/22/662039422.db2.gz PYUSYGFZJUAQOG-GFCCVEGCSA-N 1 1 383.290 2.938 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000864510787 662377701 /nfs/dbraw/zinc/37/77/01/662377701.db2.gz FIGIVHGFQFDSDM-CQSZACIVSA-N 1 1 396.241 2.912 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726886 663261325 /nfs/dbraw/zinc/26/13/25/663261325.db2.gz WNWQTMXMMXFZDS-GFCCVEGCSA-N 1 1 399.289 2.841 20 5 GFBDMO Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000919111245 664508453 /nfs/dbraw/zinc/50/84/53/664508453.db2.gz LRGFEYIFNNACAI-LBPRGKRZSA-N 1 1 393.241 2.741 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@H]1C ZINC000933366326 664860619 /nfs/dbraw/zinc/86/06/19/664860619.db2.gz BERBEQJWXDBJAI-PWSUYJOCSA-N 1 1 399.289 2.884 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000933366325 664860639 /nfs/dbraw/zinc/86/06/39/664860639.db2.gz BERBEQJWXDBJAI-JQWIXIFHSA-N 1 1 399.289 2.884 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)C1 ZINC000933779732 664877798 /nfs/dbraw/zinc/87/77/98/664877798.db2.gz QWNGAATWYRMRMS-LLVKDONJSA-N 1 1 399.289 2.743 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806865 720072925 /nfs/dbraw/zinc/07/29/25/720072925.db2.gz DMTUBMCDRVJVHZ-KBXCAEBGSA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc3[nH]cc([N+](=O)[O-])c3n1)C2 ZINC001164815900 720135608 /nfs/dbraw/zinc/13/56/08/720135608.db2.gz XFALOKUGNOOKSL-YWZLYKJASA-N 1 1 385.468 2.656 20 5 GFBDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164795674 721527584 /nfs/dbraw/zinc/52/75/84/721527584.db2.gz RFRQVZHWGLEBKU-BJLQDIEVSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164795674 721527589 /nfs/dbraw/zinc/52/75/89/721527589.db2.gz RFRQVZHWGLEBKU-BJLQDIEVSA-N 1 1 383.452 2.561 20 5 GFBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164905801 721546062 /nfs/dbraw/zinc/54/60/62/721546062.db2.gz IJYHREVXUPKYJE-GDBMZVCRSA-N 1 1 397.410 2.952 20 5 GFBDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)ncc1[N+](=O)[O-] ZINC001165027306 721829291 /nfs/dbraw/zinc/82/92/91/721829291.db2.gz RVNAGPXHZGOFPM-SZMVWBNQSA-N 1 1 382.468 2.825 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000152078175 551425745 /nfs/dbraw/zinc/42/57/45/551425745.db2.gz JKYCYZORTWFVKT-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCOCC1 ZINC000156101801 551514768 /nfs/dbraw/zinc/51/47/68/551514768.db2.gz GFRKOBULBGIVSC-UHFFFAOYSA-N 1 1 386.246 2.654 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000248626523 553131968 /nfs/dbraw/zinc/13/19/68/553131968.db2.gz YZSXWJWDMCCCFF-QWHCGFSZSA-N 1 1 387.889 2.661 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)c1 ZINC000369783781 563224770 /nfs/dbraw/zinc/22/47/70/563224770.db2.gz WSDLUPYBHXCDNN-HOTGVXAUSA-N 1 1 395.257 2.752 20 5 GFBDMO C[C@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000277946417 563233622 /nfs/dbraw/zinc/23/36/22/563233622.db2.gz JGIHNSBOMOUFKN-DTWKUNHWSA-N 1 1 376.276 2.974 20 5 GFBDMO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301271401 563398528 /nfs/dbraw/zinc/39/85/28/563398528.db2.gz VNCVJPLZAOPXQN-LLVKDONJSA-N 1 1 377.413 2.877 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301271401 563398531 /nfs/dbraw/zinc/39/85/31/563398531.db2.gz VNCVJPLZAOPXQN-LLVKDONJSA-N 1 1 377.413 2.877 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCCCC3)C2)s1 ZINC000301978440 563417702 /nfs/dbraw/zinc/41/77/02/563417702.db2.gz GPVFHBBEARKOIH-ZDUSSCGKSA-N 1 1 387.527 2.905 20 5 GFBDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992152 563418152 /nfs/dbraw/zinc/41/81/52/563418152.db2.gz QGGBKTCIUABNJD-GRYCIOLGSA-N 1 1 375.516 2.838 20 5 GFBDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992152 563418155 /nfs/dbraw/zinc/41/81/55/563418155.db2.gz QGGBKTCIUABNJD-GRYCIOLGSA-N 1 1 375.516 2.838 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000408004334 563541175 /nfs/dbraw/zinc/54/11/75/563541175.db2.gz LKTSPWCCGASIQW-LBPRGKRZSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000408004334 563541178 /nfs/dbraw/zinc/54/11/78/563541178.db2.gz LKTSPWCCGASIQW-LBPRGKRZSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1cccc(NC2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])s3)CC2)[nH+]1 ZINC000360987166 563696170 /nfs/dbraw/zinc/69/61/70/563696170.db2.gz ZSWFHULTGMVMDG-UHFFFAOYSA-N 1 1 382.467 2.625 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cs1 ZINC000290062035 563696681 /nfs/dbraw/zinc/69/66/81/563696681.db2.gz HJIIABDCOSKISW-GFCCVEGCSA-N 1 1 387.508 2.661 20 5 GFBDMO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000362704712 563708579 /nfs/dbraw/zinc/70/85/79/563708579.db2.gz JRGBGNRZNGVWHZ-CQSZACIVSA-N 1 1 381.523 2.970 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000291816685 563760093 /nfs/dbraw/zinc/76/00/93/563760093.db2.gz DRUNCCQQPATDSR-LBPRGKRZSA-N 1 1 387.889 2.743 20 5 GFBDMO [NH3+][C@@H]1CCC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000514602014 564450868 /nfs/dbraw/zinc/45/08/68/564450868.db2.gz CZWQSDXNQSPVDL-WCBMZHEXSA-N 1 1 382.269 2.697 20 5 GFBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000520385512 564602906 /nfs/dbraw/zinc/60/29/06/564602906.db2.gz JMUNQABCMZFVPL-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000458225780 564694248 /nfs/dbraw/zinc/69/42/48/564694248.db2.gz SBEQXEKFJDDMFF-GFCCVEGCSA-N 1 1 384.274 2.748 20 5 GFBDMO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553149587 564711434 /nfs/dbraw/zinc/71/14/34/564711434.db2.gz GAGXMUAYXKIRCJ-CYBMUJFWSA-N 1 1 387.267 2.644 20 5 GFBDMO C[NH+](C)C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000554914318 564777650 /nfs/dbraw/zinc/77/76/50/564777650.db2.gz OUUQLRUDKUUJNE-INIZCTEOSA-N 1 1 383.857 2.829 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000554936130 564778073 /nfs/dbraw/zinc/77/80/73/564778073.db2.gz NYBVYVOBQAVOBJ-RISCZKNCSA-N 1 1 390.221 2.792 20 5 GFBDMO CCCN(CC[NH+]1CCCCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000583586810 564898942 /nfs/dbraw/zinc/89/89/42/564898942.db2.gz JRVRQHJSFCQUIQ-UHFFFAOYSA-N 1 1 375.516 2.933 20 5 GFBDMO C[NH+](C)Cc1ccc(NC(=O)CCn2cc([N+](=O)[O-])cn2)cc1Br ZINC000468195047 564979811 /nfs/dbraw/zinc/97/98/11/564979811.db2.gz CBZNYABSGWOTQG-UHFFFAOYSA-N 1 1 396.245 2.644 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1O ZINC000562907175 565047101 /nfs/dbraw/zinc/04/71/01/565047101.db2.gz BTKDGXRKJQWTAP-CHWSQXEVSA-N 1 1 376.194 2.545 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000589255330 565157102 /nfs/dbraw/zinc/15/71/02/565157102.db2.gz WZWJXNSPCQSRLM-AWEZNQCLSA-N 1 1 388.205 2.812 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000589255330 565157108 /nfs/dbraw/zinc/15/71/08/565157108.db2.gz WZWJXNSPCQSRLM-AWEZNQCLSA-N 1 1 388.205 2.812 20 5 GFBDMO O=[N+]([O-])c1cc(Br)cnc1N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC000596514362 565526587 /nfs/dbraw/zinc/52/65/87/565526587.db2.gz KKASRZMDQPVXLM-ZIAGYGMSSA-N 1 1 397.273 2.808 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597577412 565565121 /nfs/dbraw/zinc/56/51/21/565565121.db2.gz GHWPQOUWOWRUGV-KBPBESRZSA-N 1 1 386.221 2.616 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000599392107 565675884 /nfs/dbraw/zinc/67/58/84/565675884.db2.gz RCFCMVYYHMCVIK-ZDUSSCGKSA-N 1 1 387.889 2.934 20 5 GFBDMO C[C@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000599979720 565708739 /nfs/dbraw/zinc/70/87/39/565708739.db2.gz WKOSFEIKTUKYTF-LLVKDONJSA-N 1 1 382.258 2.914 20 5 GFBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3cc(Br)c([N+](=O)[O-])s3)[C@H]2C1 ZINC000602675404 565862626 /nfs/dbraw/zinc/86/26/26/565862626.db2.gz KNOIGONSCYMZDP-QWHCGFSZSA-N 1 1 390.303 2.714 20 5 GFBDMO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370333 566127638 /nfs/dbraw/zinc/12/76/38/566127638.db2.gz CPMRCVSWGROZGF-FRRDWIJNSA-N 1 1 387.527 2.901 20 5 GFBDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370333 566127642 /nfs/dbraw/zinc/12/76/42/566127642.db2.gz CPMRCVSWGROZGF-FRRDWIJNSA-N 1 1 387.527 2.901 20 5 GFBDMO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000611370334 566127865 /nfs/dbraw/zinc/12/78/65/566127865.db2.gz CPMRCVSWGROZGF-JHJVBQTASA-N 1 1 387.527 2.901 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267829 598869717 /nfs/dbraw/zinc/86/97/17/598869717.db2.gz PKKRBUGVYPVJEI-CABCVRRESA-N 1 1 385.472 2.866 20 5 GFBDMO O=[N+]([O-])c1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)ccc1-c1nn[nH]n1 ZINC000823635060 606645265 /nfs/dbraw/zinc/64/52/65/606645265.db2.gz QPXVDJJFICJKAD-UHFFFAOYSA-N 1 1 397.414 2.626 20 5 GFBDMO CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000832750763 660798089 /nfs/dbraw/zinc/79/80/89/660798089.db2.gz BOUCWISEVZTQCF-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000125818452 654802955 /nfs/dbraw/zinc/80/29/55/654802955.db2.gz OIEADDKWEQQAEF-OAHLLOKOSA-N 1 1 383.857 2.829 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000113945146 655216151 /nfs/dbraw/zinc/21/61/51/655216151.db2.gz LQABRIXGWWFRLF-KBPBESRZSA-N 1 1 387.527 2.931 20 5 GFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000119406214 655302867 /nfs/dbraw/zinc/30/28/67/655302867.db2.gz UYYNIPHJEQKVAA-HIFRSBDPSA-N 1 1 396.285 2.985 20 5 GFBDMO C[C@H](CCNS(=O)(=O)c1csc([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000119911198 655320946 /nfs/dbraw/zinc/32/09/46/655320946.db2.gz DOCUZKDQSBJLEM-CYBMUJFWSA-N 1 1 383.495 2.845 20 5 GFBDMO CC1=CC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)CC1 ZINC000762702989 656056391 /nfs/dbraw/zinc/05/63/91/656056391.db2.gz BKAMUCJUPKYTNO-UHFFFAOYSA-N 1 1 386.221 2.878 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cc[nH+]1 ZINC000766078752 656160209 /nfs/dbraw/zinc/16/02/09/656160209.db2.gz ZFPVVCAIHVFIJU-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO CC[N@H+](C[C@@H](C)OC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000812303672 660023333 /nfs/dbraw/zinc/02/33/33/660023333.db2.gz RTRPRQPCANIPDO-SNVBAGLBSA-N 1 1 386.246 2.627 20 5 GFBDMO CC[N@@H+](C[C@@H](C)OC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000812303672 660023335 /nfs/dbraw/zinc/02/33/35/660023335.db2.gz RTRPRQPCANIPDO-SNVBAGLBSA-N 1 1 386.246 2.627 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000813442401 660054211 /nfs/dbraw/zinc/05/42/11/660054211.db2.gz ABTVIVBWIXWHKB-UONOGXRCSA-N 1 1 388.251 2.573 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815020759 660102499 /nfs/dbraw/zinc/10/24/99/660102499.db2.gz GWEFOFMLKDSIPV-NSHDSACASA-N 1 1 393.868 2.882 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000849418206 661720026 /nfs/dbraw/zinc/72/00/26/661720026.db2.gz CSYNIDJIAIMUPS-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO CC(C)C[C@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000886598036 663114379 /nfs/dbraw/zinc/11/43/79/663114379.db2.gz RZSNSWXYTWXDHP-NSHDSACASA-N 1 1 385.262 2.555 20 5 GFBDMO CC(C)C[C@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000886598036 663114381 /nfs/dbraw/zinc/11/43/81/663114381.db2.gz RZSNSWXYTWXDHP-NSHDSACASA-N 1 1 385.262 2.555 20 5 GFBDMO Cc1c(Br)c(NC[C@@H]2CC[N@@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896523437 663560482 /nfs/dbraw/zinc/56/04/82/663560482.db2.gz OLDCFZCWSSKHTP-LBPRGKRZSA-N 1 1 385.262 2.726 20 5 GFBDMO Cc1c(Br)c(NC[C@@H]2CC[N@H+]2C2CCOCC2)ncc1[N+](=O)[O-] ZINC000896523437 663560486 /nfs/dbraw/zinc/56/04/86/663560486.db2.gz OLDCFZCWSSKHTP-LBPRGKRZSA-N 1 1 385.262 2.726 20 5 GFBDMO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000899154576 663678100 /nfs/dbraw/zinc/67/81/00/663678100.db2.gz VWYPKYOVLQFQFM-QMMMGPOBSA-N 1 1 394.230 2.616 20 5 GFBDMO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931095 664231354 /nfs/dbraw/zinc/23/13/54/664231354.db2.gz NHQSTHNQDOIOQM-IUCAKERBSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931095 664231356 /nfs/dbraw/zinc/23/13/56/664231356.db2.gz NHQSTHNQDOIOQM-IUCAKERBSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C[N@@H+]1CCO ZINC000910931093 664231438 /nfs/dbraw/zinc/23/14/38/664231438.db2.gz NHQSTHNQDOIOQM-BDAKNGLRSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)[C@@H](C)C[N@H+]1CCO ZINC000910931093 664231441 /nfs/dbraw/zinc/23/14/41/664231441.db2.gz NHQSTHNQDOIOQM-BDAKNGLRSA-N 1 1 394.230 2.568 20 5 GFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620462 719058972 /nfs/dbraw/zinc/05/89/72/719058972.db2.gz FFAYVAMSXYDUEN-LPHOPBHVSA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812259 720072558 /nfs/dbraw/zinc/07/25/58/720072558.db2.gz QBGDZHQYHUKYDK-KBXCAEBGSA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811094 720107021 /nfs/dbraw/zinc/10/70/21/720107021.db2.gz LJIFZLVQFDMZSF-IERDGZPVSA-N 1 1 397.479 2.723 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164722153 720343640 /nfs/dbraw/zinc/34/36/40/720343640.db2.gz FGXNCFKWYLONHQ-OALUTQOASA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164722158 720344137 /nfs/dbraw/zinc/34/41/37/720344137.db2.gz FGXNCFKWYLONHQ-RTBURBONSA-N 1 1 376.420 2.786 20 5 GFBDMO CN(C)/C=C/c1cc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)ncc1[N+](=O)[O-] ZINC001164728769 720431474 /nfs/dbraw/zinc/43/14/74/720431474.db2.gz GIMLQFSXXCBNJF-OELZETHLSA-N 1 1 394.479 2.770 20 5 GFBDMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840790 720510576 /nfs/dbraw/zinc/51/05/76/720510576.db2.gz XNJCHMIHDIKMMG-FGTMMUONSA-N 1 1 384.484 2.873 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cnc2c1 ZINC001164782847 721398416 /nfs/dbraw/zinc/39/84/16/721398416.db2.gz GAXOFVQRBBAUFK-STQMWFEESA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164782816 721406113 /nfs/dbraw/zinc/40/61/13/721406113.db2.gz FVFORGWAPXRALU-CHWSQXEVSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(F)c1 ZINC001164911449 721527213 /nfs/dbraw/zinc/52/72/13/721527213.db2.gz WSFUSIVHBOKUHH-ZBFHGGJFSA-N 1 1 376.363 2.610 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@H]21 ZINC001165025520 721815708 /nfs/dbraw/zinc/81/57/08/721815708.db2.gz NDFSJVCPKLZUTH-YXJHDRRASA-N 1 1 382.468 2.704 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027161 721817723 /nfs/dbraw/zinc/81/77/23/721817723.db2.gz SRHWPNINPPOSOA-QRFRQXIXSA-N 1 1 397.479 2.669 20 5 GFBDMO Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165027297 721829228 /nfs/dbraw/zinc/82/92/28/721829228.db2.gz RVNAGPXHZGOFPM-JQHSSLGASA-N 1 1 382.468 2.825 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263265 552081387 /nfs/dbraw/zinc/08/13/87/552081387.db2.gz MCMJQCIIGFPDAZ-DGCLKSJQSA-N 1 1 375.878 2.599 20 5 GFBDMO C[N@@H+](CCCNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000179563867 552196486 /nfs/dbraw/zinc/19/64/86/552196486.db2.gz AHRKDIOBMULYPB-UHFFFAOYSA-N 1 1 383.495 2.994 20 5 GFBDMO Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000191866150 552540465 /nfs/dbraw/zinc/54/04/65/552540465.db2.gz LEPGXILRXCPTCT-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000246508466 553109583 /nfs/dbraw/zinc/10/95/83/553109583.db2.gz YBNYBUMOSVYPBE-FZMZJTMJSA-N 1 1 375.878 2.599 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)s1 ZINC000261771430 553158572 /nfs/dbraw/zinc/15/85/72/553158572.db2.gz SEORPWNOUVXJPS-GFCCVEGCSA-N 1 1 387.870 2.645 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc2C[NH2+]1 ZINC000262267089 553168773 /nfs/dbraw/zinc/16/87/73/553168773.db2.gz SBORYTWNWPGFPA-NSHDSACASA-N 1 1 381.841 2.935 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420481783 563265827 /nfs/dbraw/zinc/26/58/27/563265827.db2.gz RLOIAEYEWBFOGX-OAHLLOKOSA-N 1 1 381.841 2.583 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420481782 563265840 /nfs/dbraw/zinc/26/58/40/563265840.db2.gz RLOIAEYEWBFOGX-HNNXBMFYSA-N 1 1 381.841 2.583 20 5 GFBDMO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301992155 563418178 /nfs/dbraw/zinc/41/81/78/563418178.db2.gz QGGBKTCIUABNJD-UTUOFQBUSA-N 1 1 375.516 2.838 20 5 GFBDMO Cc1cc(N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302690221 563428165 /nfs/dbraw/zinc/42/81/65/563428165.db2.gz RMLAQHNNNUPCHJ-LBPRGKRZSA-N 1 1 386.290 2.947 20 5 GFBDMO Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c(Br)cc1[N+](=O)[O-] ZINC000302690221 563428166 /nfs/dbraw/zinc/42/81/66/563428166.db2.gz RMLAQHNNNUPCHJ-LBPRGKRZSA-N 1 1 386.290 2.947 20 5 GFBDMO Cc1cccn2cc(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)[nH+]c12 ZINC000541287749 564272761 /nfs/dbraw/zinc/27/27/61/564272761.db2.gz YGBATMSQKYIIGW-UHFFFAOYSA-N 1 1 377.198 2.832 20 5 GFBDMO Cc1c(Br)cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000510472408 564334834 /nfs/dbraw/zinc/33/48/34/564334834.db2.gz FXBRKLRHRHALMW-CYBMUJFWSA-N 1 1 382.258 2.974 20 5 GFBDMO Cc1sc(S(=O)(=O)N(C)CCC[N@@H+](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000510661754 564342261 /nfs/dbraw/zinc/34/22/61/564342261.db2.gz JRIOTZUUOKUIMT-UHFFFAOYSA-N 1 1 387.483 2.700 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000515255496 564472993 /nfs/dbraw/zinc/47/29/93/564472993.db2.gz GYRWVTIQZDJHEI-ZDUSSCGKSA-N 1 1 376.194 2.810 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000515733935 564486698 /nfs/dbraw/zinc/48/66/98/564486698.db2.gz AUDKWLBKNCEWCB-LLVKDONJSA-N 1 1 375.878 2.567 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462139872 564822777 /nfs/dbraw/zinc/82/27/77/564822777.db2.gz OULZYNCIRCRTAM-JTQLQIEISA-N 1 1 396.296 2.864 20 5 GFBDMO CN(C)C(=O)CC[NH+]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000557625744 564870819 /nfs/dbraw/zinc/87/08/19/564870819.db2.gz KQVVYRFQYBOFCN-UHFFFAOYSA-N 1 1 375.256 2.502 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C2 ZINC000597716731 565571984 /nfs/dbraw/zinc/57/19/84/565571984.db2.gz SVNYRFOYYGNJSJ-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO Cc1cc(S(=O)(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c([N+](=O)[O-])s1 ZINC000601415273 565782575 /nfs/dbraw/zinc/78/25/75/565782575.db2.gz RFZTZAUIMZDLPY-UHFFFAOYSA-N 1 1 387.483 2.700 20 5 GFBDMO O=C1NCCc2ccc(C[NH2+]Cc3cc(Br)c([N+](=O)[O-])s3)cc21 ZINC000602614231 565857908 /nfs/dbraw/zinc/85/79/08/565857908.db2.gz NDKCCLLBFRYGPB-UHFFFAOYSA-N 1 1 396.266 2.995 20 5 GFBDMO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736200176 598430835 /nfs/dbraw/zinc/43/08/35/598430835.db2.gz CNBJOTFTILNKEC-OAHLLOKOSA-N 1 1 393.451 2.654 20 5 GFBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738358696 598675075 /nfs/dbraw/zinc/67/50/75/598675075.db2.gz ODJJYFPNWMQRQV-INIZCTEOSA-N 1 1 393.451 2.751 20 5 GFBDMO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@@H]1C ZINC000820705982 599473655 /nfs/dbraw/zinc/47/36/55/599473655.db2.gz XFXDFRCGGDYSDH-QWHCGFSZSA-N 1 1 396.455 2.998 20 5 GFBDMO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618898 606045244 /nfs/dbraw/zinc/04/52/44/606045244.db2.gz ADYPIVHLSOPGFG-KRWDZBQOSA-N 1 1 393.451 2.876 20 5 GFBDMO COCC[N@@H+](CC=Cc1ccccc1[N+](=O)[O-])Cc1ccc(-c2nn[nH]n2)cc1 ZINC000826157643 608566990 /nfs/dbraw/zinc/56/69/90/608566990.db2.gz FKIXTCQCPDHVPF-XQRVVYSFSA-N 1 1 394.435 2.937 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000832763717 660799003 /nfs/dbraw/zinc/79/90/03/660799003.db2.gz CIGMPKDPDXTNIA-LBPRGKRZSA-N 1 1 375.878 2.660 20 5 GFBDMO CCc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[NH+](C)C)cc1 ZINC000064243004 654864496 /nfs/dbraw/zinc/86/44/96/654864496.db2.gz IOMYAXOITOEQRK-AWEZNQCLSA-N 1 1 383.495 2.800 20 5 GFBDMO CN(CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 ZINC000158341639 655106118 /nfs/dbraw/zinc/10/61/18/655106118.db2.gz YZJUTGKVKQHZGR-UHFFFAOYSA-N 1 1 389.886 2.720 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273481 655247117 /nfs/dbraw/zinc/24/71/17/655247117.db2.gz UUBABDIUTDQLNP-AWEZNQCLSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273481 655247119 /nfs/dbraw/zinc/24/71/19/655247119.db2.gz UUBABDIUTDQLNP-AWEZNQCLSA-N 1 1 375.878 2.542 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1Cl ZINC000289292984 655345831 /nfs/dbraw/zinc/34/58/31/655345831.db2.gz HBOSIPYMIJQARB-VIFPVBQESA-N 1 1 394.280 2.664 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000725822972 655526916 /nfs/dbraw/zinc/52/69/16/655526916.db2.gz PEBJIOMRKSZKIW-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000750855114 655818100 /nfs/dbraw/zinc/81/81/00/655818100.db2.gz XDGUQOLELJSOFU-VIFPVBQESA-N 1 1 388.649 2.977 20 5 GFBDMO Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1OCC[NH+](C)C ZINC000840914561 661205986 /nfs/dbraw/zinc/20/59/86/661205986.db2.gz BOXGSOULLZXZTF-UHFFFAOYSA-N 1 1 385.467 2.706 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000762280840 656037909 /nfs/dbraw/zinc/03/79/09/656037909.db2.gz VUSXYPZCVZLBRW-NSHDSACASA-N 1 1 375.878 2.567 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864431 658863263 /nfs/dbraw/zinc/86/32/63/658863263.db2.gz CWZPPHBMYIASPH-NSHDSACASA-N 1 1 393.868 2.882 20 5 GFBDMO C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000798160508 659077055 /nfs/dbraw/zinc/07/70/55/659077055.db2.gz KWHPOCMQEWPYOJ-MNOVXSKESA-N 1 1 385.262 2.603 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000815018716 660102092 /nfs/dbraw/zinc/10/20/92/660102092.db2.gz YZMMGZGHDNXFRE-GXFFZTMASA-N 1 1 393.868 2.738 20 5 GFBDMO CCCC[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046736 660106920 /nfs/dbraw/zinc/10/69/20/660106920.db2.gz CYDRJAZOONUFJK-JTQLQIEISA-N 1 1 381.857 2.786 20 5 GFBDMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000816952259 660174290 /nfs/dbraw/zinc/17/42/90/660174290.db2.gz GNWNJZNQIZADNZ-QPUJVOFHSA-N 1 1 388.649 2.787 20 5 GFBDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866512828 662478186 /nfs/dbraw/zinc/47/81/86/662478186.db2.gz DQFVUDXPKLQNOF-CQSZACIVSA-N 1 1 398.301 2.994 20 5 GFBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000867423516 662549051 /nfs/dbraw/zinc/54/90/51/662549051.db2.gz FIXPWSNQZIQNRH-LBPRGKRZSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@H]21 ZINC000867809186 662578208 /nfs/dbraw/zinc/57/82/08/662578208.db2.gz QCKJJZPWUAEWGZ-JOYOIKCWSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868572520 662610277 /nfs/dbraw/zinc/61/02/77/662610277.db2.gz SHFXAAQZRJKDOC-QGZVFWFLSA-N 1 1 396.285 2.844 20 5 GFBDMO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000872076655 662755433 /nfs/dbraw/zinc/75/54/33/662755433.db2.gz PEWCVHBKUANBNI-LBPRGKRZSA-N 1 1 388.511 2.561 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000882635649 663034396 /nfs/dbraw/zinc/03/43/96/663034396.db2.gz JACNNQHBLQLPCN-LBPRGKRZSA-N 1 1 388.237 2.532 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883134192 663050169 /nfs/dbraw/zinc/05/01/69/663050169.db2.gz REYHXHGHQQFXCN-UONOGXRCSA-N 1 1 397.273 2.783 20 5 GFBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000893341768 663407794 /nfs/dbraw/zinc/40/77/94/663407794.db2.gz BCBNHUZWZCERSW-ZDUSSCGKSA-N 1 1 378.738 2.521 20 5 GFBDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000895991682 663536246 /nfs/dbraw/zinc/53/62/46/663536246.db2.gz YRLOKBBKJHYVRE-DTWKUNHWSA-N 1 1 392.214 2.634 20 5 GFBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])cc2N)CC3)cs1 ZINC001164691568 719813286 /nfs/dbraw/zinc/81/32/86/719813286.db2.gz HMETWLXGFFUPGE-UHFFFAOYSA-N 1 1 388.497 2.972 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871462 721075795 /nfs/dbraw/zinc/07/57/95/721075795.db2.gz YYSXCMJTKVCCFO-CVEARBPZSA-N 1 1 389.843 2.518 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@H]3C2)cn1 ZINC001164766371 721109110 /nfs/dbraw/zinc/10/91/10/721109110.db2.gz KTTRFEMQVMUHEG-ZWKOTPCHSA-N 1 1 392.463 2.835 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5cccc([N+](=O)[O-])c5n4)C[C@H]3C2)cn1 ZINC001164768961 721120965 /nfs/dbraw/zinc/12/09/65/721120965.db2.gz OMJVTLHBDXJWJC-QZTJIDSGSA-N 1 1 392.463 2.835 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164769090 721121696 /nfs/dbraw/zinc/12/16/96/721121696.db2.gz PMNGVOHTODHWKW-IAGOWNOFSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164795821 721528304 /nfs/dbraw/zinc/52/83/04/721528304.db2.gz SNJCNSVZIHOPII-WDSOQIARSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001164795821 721528308 /nfs/dbraw/zinc/52/83/08/721528308.db2.gz SNJCNSVZIHOPII-WDSOQIARSA-N 1 1 383.452 2.561 20 5 GFBDMO COc1ncnc(N2CCC[C@@]3(CC[N@@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164997338 722199403 /nfs/dbraw/zinc/19/94/03/722199403.db2.gz ZYSJZAYAVQTAEX-LJQANCHMSA-N 1 1 387.415 2.777 20 5 GFBDMO COc1ncnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c1[N+](=O)[O-] ZINC001164997338 722199407 /nfs/dbraw/zinc/19/94/07/722199407.db2.gz ZYSJZAYAVQTAEX-LJQANCHMSA-N 1 1 387.415 2.777 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000123663307 551308248 /nfs/dbraw/zinc/30/82/48/551308248.db2.gz YJERMXOWQFFURN-GXFFZTMASA-N 1 1 382.258 2.974 20 5 GFBDMO C[C@@H]1C[NH+](C[C@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000153017066 551444945 /nfs/dbraw/zinc/44/49/45/551444945.db2.gz SGHFPRPPHMWMNQ-FOGDFJRCSA-N 1 1 379.240 2.751 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000155067846 551490763 /nfs/dbraw/zinc/49/07/63/551490763.db2.gz QEEIQUDTSWYROK-GFCCVEGCSA-N 1 1 384.274 2.700 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155914702 551511215 /nfs/dbraw/zinc/51/12/15/551511215.db2.gz PUUPAJKRMHBPCW-CJNGLKHVSA-N 1 1 396.285 2.843 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000178459819 552170612 /nfs/dbraw/zinc/17/06/12/552170612.db2.gz CTWDQBMCVJDKSD-JTQLQIEISA-N 1 1 381.230 2.928 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182071180 552274617 /nfs/dbraw/zinc/27/46/17/552274617.db2.gz UHDUDGLIQCEIKP-ZDUSSCGKSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182071180 552274619 /nfs/dbraw/zinc/27/46/19/552274619.db2.gz UHDUDGLIQCEIKP-ZDUSSCGKSA-N 1 1 375.878 2.542 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)cs1 ZINC000187554842 552418948 /nfs/dbraw/zinc/41/89/48/552418948.db2.gz NOHGXYCWSNNXOK-UHFFFAOYSA-N 1 1 385.442 2.625 20 5 GFBDMO CC(C)c1[nH+]ccn1C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369455384 563214593 /nfs/dbraw/zinc/21/45/93/563214593.db2.gz JHOIZQXWNOIXPW-LBPRGKRZSA-N 1 1 384.483 2.830 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000295179961 563233338 /nfs/dbraw/zinc/23/33/38/563233338.db2.gz IKPLSNHRFZASFN-VIFPVBQESA-N 1 1 394.280 2.664 20 5 GFBDMO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@H+](C2CC2)C1 ZINC000295286760 563240637 /nfs/dbraw/zinc/24/06/37/563240637.db2.gz IEFQJJQSGYHKMJ-LLVKDONJSA-N 1 1 382.258 2.914 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])ncc1Br)N1CCC[N@H+](C2CCCC2)CC1 ZINC000373824641 563352903 /nfs/dbraw/zinc/35/29/03/563352903.db2.gz GLJNHPZOSXPUNB-UHFFFAOYSA-N 1 1 397.273 2.843 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(Cc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000425405424 563421017 /nfs/dbraw/zinc/42/10/17/563421017.db2.gz NMLYXTRHSDXNNA-UHFFFAOYSA-N 1 1 386.290 2.636 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000425423282 563421191 /nfs/dbraw/zinc/42/11/91/563421191.db2.gz UGJWENGHHVXNQT-OAHLLOKOSA-N 1 1 384.274 2.654 20 5 GFBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ncc(Br)cn1 ZINC000433005954 563600340 /nfs/dbraw/zinc/60/03/40/563600340.db2.gz DVXCGGIXZNKTQT-SNVBAGLBSA-N 1 1 394.229 2.827 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000290858184 563723931 /nfs/dbraw/zinc/72/39/31/563723931.db2.gz XCYBXFSPGBMUKF-GWCFXTLKSA-N 1 1 393.868 2.738 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000364079410 563742490 /nfs/dbraw/zinc/74/24/90/563742490.db2.gz UISWGVCBSDULIX-STQMWFEESA-N 1 1 382.258 2.643 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000545231193 564414077 /nfs/dbraw/zinc/41/40/77/564414077.db2.gz VNUZJCJTCWDGLH-UHFFFAOYSA-N 1 1 375.516 2.706 20 5 GFBDMO COCC[N@@H+](C)CCCNc1ccc(I)cc1[N+](=O)[O-] ZINC000549106981 564585974 /nfs/dbraw/zinc/58/59/74/564585974.db2.gz CRBXRXNXYDPHAA-UHFFFAOYSA-N 1 1 393.225 2.580 20 5 GFBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000520385511 564602776 /nfs/dbraw/zinc/60/27/76/564602776.db2.gz JMUNQABCMZFVPL-GFCCVEGCSA-N 1 1 375.878 2.709 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000520740216 564612271 /nfs/dbraw/zinc/61/22/71/564612271.db2.gz DUXCVKDHACVLCQ-LBPRGKRZSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000551556494 564654036 /nfs/dbraw/zinc/65/40/36/564654036.db2.gz WUSLIVAKXMOYHZ-UHFFFAOYSA-N 1 1 384.845 2.568 20 5 GFBDMO C[C@@H]1CN(Cc2cc(I)cc([N+](=O)[O-])c2)C[C@H](C)[N@@H+]1C ZINC000555665829 564801139 /nfs/dbraw/zinc/80/11/39/564801139.db2.gz AQZNUMZJYZDRMS-PHIMTYICSA-N 1 1 389.237 2.724 20 5 GFBDMO C[N@H+](CCc1cccc(Br)c1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000463414855 564880231 /nfs/dbraw/zinc/88/02/31/564880231.db2.gz OWJJEIKZABLQAY-UHFFFAOYSA-N 1 1 380.242 2.694 20 5 GFBDMO Cc1cc(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c([N+](=O)[O-])s1 ZINC000601376931 565779765 /nfs/dbraw/zinc/77/97/65/565779765.db2.gz WPZYBHJJXDOYTG-JSGCOSHPSA-N 1 1 385.511 2.602 20 5 GFBDMO COCCN1CCC([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602526526 565852394 /nfs/dbraw/zinc/85/23/94/565852394.db2.gz DDOADJZJZDULSG-UHFFFAOYSA-N 1 1 378.292 2.619 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000603975574 565921038 /nfs/dbraw/zinc/92/10/38/565921038.db2.gz BKBLFVRRLYZZNZ-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO O=[N+]([O-])c1ccc(OC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000823644118 599591043 /nfs/dbraw/zinc/59/10/43/599591043.db2.gz FYJJPUMHKRKHPJ-UHFFFAOYSA-N 1 1 398.398 2.957 20 5 GFBDMO C[N@H+]1C[C@@H]2CCCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000819912465 660274470 /nfs/dbraw/zinc/27/44/70/660274470.db2.gz RWZWTSFAYBHPIL-JOYOIKCWSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000826569104 660457152 /nfs/dbraw/zinc/45/71/52/660457152.db2.gz PIXMSLIPHBKKFQ-LBPRGKRZSA-N 1 1 397.273 2.556 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000827302094 660488186 /nfs/dbraw/zinc/48/81/86/660488186.db2.gz SUCWCYLUFQVDJN-RISCZKNCSA-N 1 1 382.258 2.832 20 5 GFBDMO CC[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)C1 ZINC000830321855 660648347 /nfs/dbraw/zinc/64/83/47/660648347.db2.gz DQWBKMKTKMWUTE-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000052782021 654739252 /nfs/dbraw/zinc/73/92/52/654739252.db2.gz FWCGAXNCPSJHLI-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000123300720 654754863 /nfs/dbraw/zinc/75/48/63/654754863.db2.gz AUMCLAMPJHNRSG-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000111172122 655166130 /nfs/dbraw/zinc/16/61/30/655166130.db2.gz XZNNJQQYMJENCP-CYBMUJFWSA-N 1 1 394.273 2.718 20 5 GFBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530555 661090078 /nfs/dbraw/zinc/09/00/78/661090078.db2.gz ACBISZRXTKAEAA-QWHCGFSZSA-N 1 1 382.258 2.848 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000119245509 655295088 /nfs/dbraw/zinc/29/50/88/655295088.db2.gz OUUSRQXWPPPJSB-UHFFFAOYSA-N 1 1 382.258 2.834 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000120559180 655339076 /nfs/dbraw/zinc/33/90/76/655339076.db2.gz SJQDYPFGOACOBK-GFCCVEGCSA-N 1 1 384.274 2.890 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1N1CC[NH+](CC2CCOCC2)CC1 ZINC000596128974 655514068 /nfs/dbraw/zinc/51/40/68/655514068.db2.gz BCLKYAJBPFUABK-UHFFFAOYSA-N 1 1 384.274 2.906 20 5 GFBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH+](CC)CC2)cc1Br ZINC000733895487 655622850 /nfs/dbraw/zinc/62/28/50/655622850.db2.gz GFJQAHXHXSLOSP-UHFFFAOYSA-N 1 1 386.246 2.676 20 5 GFBDMO O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754985366 655877871 /nfs/dbraw/zinc/87/78/71/655877871.db2.gz FDSNEGROSZGULS-GHMZBOCLSA-N 1 1 386.221 2.853 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000772951105 656395317 /nfs/dbraw/zinc/39/53/17/656395317.db2.gz VLDPUPMYARBSTM-CYBMUJFWSA-N 1 1 389.905 2.895 20 5 GFBDMO CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796203449 658902118 /nfs/dbraw/zinc/90/21/18/658902118.db2.gz OJFUDLCEMUTLAS-JTQLQIEISA-N 1 1 379.841 2.540 20 5 GFBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000796203449 658902125 /nfs/dbraw/zinc/90/21/25/658902125.db2.gz OJFUDLCEMUTLAS-JTQLQIEISA-N 1 1 379.841 2.540 20 5 GFBDMO O=[N+]([O-])c1ccc(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c(Cl)c1 ZINC000800310955 659300100 /nfs/dbraw/zinc/30/01/00/659300100.db2.gz BAICDPRSCIPAGQ-UHFFFAOYSA-N 1 1 382.869 2.995 20 5 GFBDMO CN(C)CC[N@@H+](C)CCCN(C)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000809788104 659939285 /nfs/dbraw/zinc/93/92/85/659939285.db2.gz NHMAGMVJPOZXSF-UHFFFAOYSA-N 1 1 387.322 2.673 20 5 GFBDMO CN(CCCN(C)Cc1c(Br)cccc1[N+](=O)[O-])CC[NH+](C)C ZINC000809788104 659939289 /nfs/dbraw/zinc/93/92/89/659939289.db2.gz NHMAGMVJPOZXSF-UHFFFAOYSA-N 1 1 387.322 2.673 20 5 GFBDMO CN(C)CC[N@@H+](C)CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813854824 660066101 /nfs/dbraw/zinc/06/61/01/660066101.db2.gz ITOKEWFVTZKTTB-UHFFFAOYSA-N 1 1 391.299 2.857 20 5 GFBDMO CN(CCCN(C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC[NH+](C)C ZINC000813854824 660066103 /nfs/dbraw/zinc/06/61/03/660066103.db2.gz ITOKEWFVTZKTTB-UHFFFAOYSA-N 1 1 391.299 2.857 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000842704846 661350219 /nfs/dbraw/zinc/35/02/19/661350219.db2.gz DGNBWEKVILOZKG-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848508316 661658112 /nfs/dbraw/zinc/65/81/12/661658112.db2.gz KWELFCUJPVAIHJ-CHWSQXEVSA-N 1 1 387.889 2.852 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000849411454 661718235 /nfs/dbraw/zinc/71/82/35/661718235.db2.gz JKKJDNUEGMSNJF-LLVKDONJSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000849418205 661720071 /nfs/dbraw/zinc/72/00/71/661720071.db2.gz CSYNIDJIAIMUPS-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000855809244 662008900 /nfs/dbraw/zinc/00/89/00/662008900.db2.gz AFHNXDRTSLCPQN-LLVKDONJSA-N 1 1 397.273 2.889 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc([N+](=O)[O-])c1Br)C2 ZINC000863920110 662349807 /nfs/dbraw/zinc/34/98/07/662349807.db2.gz CWGVZLWJSYQHQQ-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000864907141 662390385 /nfs/dbraw/zinc/39/03/85/662390385.db2.gz VZSKQYAARIJBBL-QWHCGFSZSA-N 1 1 382.258 2.643 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866775865 662497263 /nfs/dbraw/zinc/49/72/63/662497263.db2.gz BEWIBWPXILPBLF-DZGCQCFKSA-N 1 1 396.285 2.843 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000883136190 663050263 /nfs/dbraw/zinc/05/02/63/663050263.db2.gz WWGKJYFGBUOEFR-LLVKDONJSA-N 1 1 397.273 2.641 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884952771 663079414 /nfs/dbraw/zinc/07/94/14/663079414.db2.gz QVNCKVCTBRAQEQ-MNOVXSKESA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884952771 663079416 /nfs/dbraw/zinc/07/94/16/663079416.db2.gz QVNCKVCTBRAQEQ-MNOVXSKESA-N 1 1 394.280 2.807 20 5 GFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1 ZINC000934320406 664898550 /nfs/dbraw/zinc/89/85/50/664898550.db2.gz VJECSQWGVKPVEC-NEPJUHHUSA-N 1 1 397.273 2.638 20 5 GFBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164788837 721429706 /nfs/dbraw/zinc/42/97/06/721429706.db2.gz TUDREFSXTWVHSN-OKILXGFUSA-N 1 1 389.481 2.802 20 5 GFBDMO CC(C)Oc1nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001164788837 721429709 /nfs/dbraw/zinc/42/97/09/721429709.db2.gz TUDREFSXTWVHSN-OKILXGFUSA-N 1 1 389.481 2.802 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1 ZINC001165024815 721809662 /nfs/dbraw/zinc/80/96/62/721809662.db2.gz KQBRNPXKYWAJFP-JQHSSLGASA-N 1 1 382.468 2.825 20 5 GFBDMO Cc1ccc(-c2ccc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)nn2)cc1[N+](=O)[O-] ZINC001164966993 722074177 /nfs/dbraw/zinc/07/41/77/722074177.db2.gz INCOQZMIFFKWIB-HDICACEKSA-N 1 1 395.463 2.660 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000125688042 551322954 /nfs/dbraw/zinc/32/29/54/551322954.db2.gz MPOWZXYKCLQBCT-ZDUSSCGKSA-N 1 1 375.516 2.611 20 5 GFBDMO Cn1cc(Br)cc1C[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000151585132 551417051 /nfs/dbraw/zinc/41/70/51/551417051.db2.gz ZQKPZDUBTLMQOI-HNNXBMFYSA-N 1 1 398.257 2.568 20 5 GFBDMO C[N@@H+](Cc1ccc(Br)o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209785 552278607 /nfs/dbraw/zinc/27/86/07/552278607.db2.gz ZULDNNHQGAOMRW-NSHDSACASA-N 1 1 385.214 2.822 20 5 GFBDMO C[N@H+](Cc1ccc(Br)o1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209785 552278609 /nfs/dbraw/zinc/27/86/09/552278609.db2.gz ZULDNNHQGAOMRW-NSHDSACASA-N 1 1 385.214 2.822 20 5 GFBDMO CN(C[C@H]1CCC[N@H+]1C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420763704 563284997 /nfs/dbraw/zinc/28/49/97/563284997.db2.gz JOWXIXFPRZDKHD-SNVBAGLBSA-N 1 1 382.269 2.616 20 5 GFBDMO C[N@@H+](CCCCC(F)(F)F)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000420971730 563292468 /nfs/dbraw/zinc/29/24/68/563292468.db2.gz JEZREXCAJGRDFG-UHFFFAOYSA-N 1 1 383.392 2.538 20 5 GFBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)F ZINC000299584425 563387209 /nfs/dbraw/zinc/38/72/09/563387209.db2.gz DPDNLOFALRNAMC-ZDUSSCGKSA-N 1 1 378.738 2.521 20 5 GFBDMO C[C@H]1CCCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301271402 563398651 /nfs/dbraw/zinc/39/86/51/563398651.db2.gz VNCVJPLZAOPXQN-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301271402 563398653 /nfs/dbraw/zinc/39/86/53/563398653.db2.gz VNCVJPLZAOPXQN-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO CCCNC(=O)C[NH+]1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000301354147 563400562 /nfs/dbraw/zinc/40/05/62/563400562.db2.gz NVLHNROKHFLDJF-UHFFFAOYSA-N 1 1 399.289 2.760 20 5 GFBDMO COC[C@@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289750735 563685471 /nfs/dbraw/zinc/68/54/71/563685471.db2.gz IULMDPQPJKDSAV-SNVBAGLBSA-N 1 1 376.194 2.668 20 5 GFBDMO COC[C@@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000289750735 563685475 /nfs/dbraw/zinc/68/54/75/563685475.db2.gz IULMDPQPJKDSAV-SNVBAGLBSA-N 1 1 376.194 2.668 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000446259648 563861901 /nfs/dbraw/zinc/86/19/01/563861901.db2.gz ZBTGMKJHNRTJAD-LBPRGKRZSA-N 1 1 384.274 2.700 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455395628 564552303 /nfs/dbraw/zinc/55/23/03/564552303.db2.gz BMISMYFUIPDHGP-OAHLLOKOSA-N 1 1 383.246 2.917 20 5 GFBDMO C[N@H+]1CCC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000554978087 564780082 /nfs/dbraw/zinc/78/00/82/564780082.db2.gz FQNBLLBJPIROTA-NSHDSACASA-N 1 1 389.237 2.631 20 5 GFBDMO COCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc(Br)cs1 ZINC000494154408 564818295 /nfs/dbraw/zinc/81/82/95/564818295.db2.gz UAFWOXGYKYTJFN-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462568088 564848023 /nfs/dbraw/zinc/84/80/23/564848023.db2.gz XRPDUWRSFQSREN-AWEZNQCLSA-N 1 1 387.889 2.791 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000591845496 565241660 /nfs/dbraw/zinc/24/16/60/565241660.db2.gz TUCIJUBUPIIPGC-INIZCTEOSA-N 1 1 397.317 2.569 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593076388 565311580 /nfs/dbraw/zinc/31/15/80/565311580.db2.gz AXLPIHBZNCRAJV-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594790467 565421711 /nfs/dbraw/zinc/42/17/11/565421711.db2.gz LLNRWOYZLCFCPP-LLVKDONJSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594793052 565421965 /nfs/dbraw/zinc/42/19/65/565421965.db2.gz TXAMVIMNLCCIMT-GFCCVEGCSA-N 1 1 389.905 2.955 20 5 GFBDMO C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973711 565438766 /nfs/dbraw/zinc/43/87/66/565438766.db2.gz DNZWMVDFEJTNQZ-AAEUAGOBSA-N 1 1 381.479 2.774 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595827436 565491892 /nfs/dbraw/zinc/49/18/92/565491892.db2.gz QACPYVAAUVTPCV-NWDGAFQWSA-N 1 1 388.205 2.668 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000595827436 565491898 /nfs/dbraw/zinc/49/18/98/565491898.db2.gz QACPYVAAUVTPCV-NWDGAFQWSA-N 1 1 388.205 2.668 20 5 GFBDMO CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@@H+](CC)C1 ZINC000598042806 565591006 /nfs/dbraw/zinc/59/10/06/565591006.db2.gz YLQNFGPXRPLLCJ-AWEZNQCLSA-N 1 1 384.274 2.843 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000601183189 565768953 /nfs/dbraw/zinc/76/89/53/565768953.db2.gz BFPZFLCNZJTDFA-NSHDSACASA-N 1 1 395.257 2.824 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000601185739 565771219 /nfs/dbraw/zinc/77/12/19/565771219.db2.gz SYLCVPFNNWSHFI-NSHDSACASA-N 1 1 395.257 2.824 20 5 GFBDMO C[C@@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000736197934 598796895 /nfs/dbraw/zinc/79/68/95/598796895.db2.gz FEHVAMNSZYCMMI-ZDUSSCGKSA-N 1 1 395.423 2.912 20 5 GFBDMO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000824737928 660400412 /nfs/dbraw/zinc/40/04/12/660400412.db2.gz GTWDVJZJOZGGTD-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000065685521 654884963 /nfs/dbraw/zinc/88/49/63/654884963.db2.gz WVYQWMCPNDICER-HNNXBMFYSA-N 1 1 383.495 2.800 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000267928913 654952666 /nfs/dbraw/zinc/95/26/66/654952666.db2.gz NGJFUFHDBSIGGB-JTQLQIEISA-N 1 1 388.237 2.910 20 5 GFBDMO O=C([C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1)N1CCCC1 ZINC000839603337 661095158 /nfs/dbraw/zinc/09/51/58/661095158.db2.gz CQDPPYFEDKZZOA-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1)N1CCCC1 ZINC000839603337 661095163 /nfs/dbraw/zinc/09/51/63/661095163.db2.gz CQDPPYFEDKZZOA-CYBMUJFWSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CC[C@@H](Sc3cccc(Cl)c3)C2)c1 ZINC000292522382 655351999 /nfs/dbraw/zinc/35/19/99/655351999.db2.gz WKJXTEFRBHZQKK-GOEBONIOSA-N 1 1 382.873 2.672 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731997339 655590568 /nfs/dbraw/zinc/59/05/68/655590568.db2.gz JFJLGEADJNGZHD-NSHDSACASA-N 1 1 377.413 2.733 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411527 655717951 /nfs/dbraw/zinc/71/79/51/655717951.db2.gz HABLXCGGHAMDLY-ZJUUUORDSA-N 1 1 381.376 2.783 20 5 GFBDMO C[C@@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411527 655717953 /nfs/dbraw/zinc/71/79/53/655717953.db2.gz HABLXCGGHAMDLY-ZJUUUORDSA-N 1 1 381.376 2.783 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000752234045 655841157 /nfs/dbraw/zinc/84/11/57/655841157.db2.gz CRJOGAXMPIDFLR-NSHDSACASA-N 1 1 375.878 2.567 20 5 GFBDMO Cc1[nH+]ccn1-c1ccccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768812122 656252338 /nfs/dbraw/zinc/25/23/38/656252338.db2.gz PCKOFQBONHYMSD-UHFFFAOYSA-N 1 1 378.435 2.629 20 5 GFBDMO CC[N@@H+](CC(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)C1CC1 ZINC000791235754 658070781 /nfs/dbraw/zinc/07/07/81/658070781.db2.gz RRQHJEXCQBFGPS-UHFFFAOYSA-N 1 1 382.258 2.726 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164287 659077327 /nfs/dbraw/zinc/07/73/27/659077327.db2.gz JFDJYLNKDMQHMW-WDEREUQCSA-N 1 1 385.262 2.603 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000798225680 659084455 /nfs/dbraw/zinc/08/44/55/659084455.db2.gz GXDDAMBRIXLSKP-QWRGUYRKSA-N 1 1 393.868 2.786 20 5 GFBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809815816 659941425 /nfs/dbraw/zinc/94/14/25/659941425.db2.gz SUGLAQSLDCBKPH-UHFFFAOYSA-N 1 1 382.269 2.618 20 5 GFBDMO CC[N@H+]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000809815816 659941427 /nfs/dbraw/zinc/94/14/27/659941427.db2.gz SUGLAQSLDCBKPH-UHFFFAOYSA-N 1 1 382.269 2.618 20 5 GFBDMO C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809834852 659947209 /nfs/dbraw/zinc/94/72/09/659947209.db2.gz GTNSDXBSYSWUMK-VIFPVBQESA-N 1 1 382.269 2.664 20 5 GFBDMO C[N@H+]1CCCN(CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813452242 660054431 /nfs/dbraw/zinc/05/44/31/660054431.db2.gz XKXLBUMRKLQLAI-UHFFFAOYSA-N 1 1 389.283 2.659 20 5 GFBDMO CN1CCC[N@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813452242 660054436 /nfs/dbraw/zinc/05/44/36/660054436.db2.gz XKXLBUMRKLQLAI-UHFFFAOYSA-N 1 1 389.283 2.659 20 5 GFBDMO CN1CCC[N@@H+](CCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813452242 660054439 /nfs/dbraw/zinc/05/44/39/660054439.db2.gz XKXLBUMRKLQLAI-UHFFFAOYSA-N 1 1 389.283 2.659 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000815009473 660100989 /nfs/dbraw/zinc/10/09/89/660100989.db2.gz GHSBFVMTYKKRHE-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034804 660105094 /nfs/dbraw/zinc/10/50/94/660105094.db2.gz CEAICPGLJNFALJ-QWRGUYRKSA-N 1 1 393.868 2.786 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000841546101 661295435 /nfs/dbraw/zinc/29/54/35/661295435.db2.gz HIVQPVAPNCDUSK-GFCCVEGCSA-N 1 1 375.878 2.567 20 5 GFBDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866512826 662478086 /nfs/dbraw/zinc/47/80/86/662478086.db2.gz DQFVUDXPKLQNOF-AWEZNQCLSA-N 1 1 398.301 2.994 20 5 GFBDMO CN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000868283865 662600584 /nfs/dbraw/zinc/60/05/84/662600584.db2.gz JJBYFFPZIGDIFG-PBWFPOADSA-N 1 1 396.285 2.983 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827215 662837657 /nfs/dbraw/zinc/83/76/57/662837657.db2.gz YBJILFMRYLHTNA-ZIAGYGMSSA-N 1 1 382.258 2.595 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836275 662838015 /nfs/dbraw/zinc/83/80/15/662838015.db2.gz DYOLIJLWYQLEGV-GJZGRUSLSA-N 1 1 382.258 2.595 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000883295717 663052477 /nfs/dbraw/zinc/05/24/77/663052477.db2.gz QQCIGMBBHPYXLL-HNNXBMFYSA-N 1 1 384.274 2.700 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000884952773 663079391 /nfs/dbraw/zinc/07/93/91/663079391.db2.gz QVNCKVCTBRAQEQ-QWRGUYRKSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000884952773 663079394 /nfs/dbraw/zinc/07/93/94/663079394.db2.gz QVNCKVCTBRAQEQ-QWRGUYRKSA-N 1 1 394.280 2.807 20 5 GFBDMO CC[N@H+]1CCCN(C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000889724922 663260771 /nfs/dbraw/zinc/26/07/71/663260771.db2.gz KFJPRZYLFGGOTJ-UHFFFAOYSA-N 1 1 385.262 2.595 20 5 GFBDMO CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C)C1 ZINC000896447574 663558078 /nfs/dbraw/zinc/55/80/78/663558078.db2.gz YHTQINUPDJIMNF-ZDUSSCGKSA-N 1 1 385.262 2.593 20 5 GFBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897782445 663620219 /nfs/dbraw/zinc/62/02/19/663620219.db2.gz VJEKUCGCQXPOJC-UHFFFAOYSA-N 1 1 395.262 2.654 20 5 GFBDMO CN(CCCNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)CC[NH+](C)C ZINC000897782445 663620223 /nfs/dbraw/zinc/62/02/23/663620223.db2.gz VJEKUCGCQXPOJC-UHFFFAOYSA-N 1 1 395.262 2.654 20 5 GFBDMO O=C(N[C@H]1CCC[N@H+](CCCO)C1)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000897880709 663623502 /nfs/dbraw/zinc/62/35/02/663623502.db2.gz MKFLYXXETFKDPP-VIFPVBQESA-N 1 1 394.230 2.617 20 5 GFBDMO CC(C)(CO)[NH+]1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000901226362 663732736 /nfs/dbraw/zinc/73/27/36/663732736.db2.gz JLOIDOIPRODVMJ-UHFFFAOYSA-N 1 1 394.230 2.569 20 5 GFBDMO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncc(Br)cn2)n1 ZINC000903321220 663781594 /nfs/dbraw/zinc/78/15/94/663781594.db2.gz ZHCAVAFGEODHMU-NWDGAFQWSA-N 1 1 381.234 2.617 20 5 GFBDMO COC(=O)c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c([N+](=O)[O-])c1 ZINC001164621114 719068894 /nfs/dbraw/zinc/06/88/94/719068894.db2.gz HGKLXUIUTASPCB-QFBILLFUSA-N 1 1 396.447 2.877 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164694981 719891188 /nfs/dbraw/zinc/89/11/88/719891188.db2.gz ISHQQCUYMHBDDJ-UHFFFAOYSA-N 1 1 389.481 2.626 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164694981 719891194 /nfs/dbraw/zinc/89/11/94/719891194.db2.gz ISHQQCUYMHBDDJ-UHFFFAOYSA-N 1 1 389.481 2.626 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771881 721167217 /nfs/dbraw/zinc/16/72/17/721167217.db2.gz RQOOPGXPRLZDGS-ZWKOTPCHSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164790741 721403557 /nfs/dbraw/zinc/40/35/57/721403557.db2.gz XVDXGZYJLVCOBN-TXEJJXNPSA-N 1 1 379.873 2.976 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1Cl ZINC001164790741 721403559 /nfs/dbraw/zinc/40/35/59/721403559.db2.gz XVDXGZYJLVCOBN-TXEJJXNPSA-N 1 1 379.873 2.976 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164806642 721537888 /nfs/dbraw/zinc/53/78/88/721537888.db2.gz POXQWTGXDPNLNU-JENIJYKNSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164806642 721537893 /nfs/dbraw/zinc/53/78/93/721537893.db2.gz POXQWTGXDPNLNU-JENIJYKNSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930182 721882470 /nfs/dbraw/zinc/88/24/70/721882470.db2.gz CIPLZWVFSLCSHM-RBUKOAKNSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1cc(N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001164930182 721882471 /nfs/dbraw/zinc/88/24/71/721882471.db2.gz CIPLZWVFSLCSHM-RBUKOAKNSA-N 1 1 396.495 2.575 20 5 GFBDMO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000033853117 206303646 /nfs/dbraw/zinc/30/36/46/206303646.db2.gz YPUJIDGXHSAQTF-KRWDZBQOSA-N 1 1 391.855 2.810 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000123663089 551308262 /nfs/dbraw/zinc/30/82/62/551308262.db2.gz YJERMXOWQFFURN-GWCFXTLKSA-N 1 1 382.258 2.974 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000125692156 551322917 /nfs/dbraw/zinc/32/29/17/551322917.db2.gz MWPKTNKUMIYTHN-OCCSQVGLSA-N 1 1 385.511 2.602 20 5 GFBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163409400 551619742 /nfs/dbraw/zinc/61/97/42/551619742.db2.gz VNJGETDQEDZDDC-UHFFFAOYSA-N 1 1 383.392 2.624 20 5 GFBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000420461721 563264405 /nfs/dbraw/zinc/26/44/05/563264405.db2.gz PHJNVTZFGZPACE-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO NS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000372745062 563315888 /nfs/dbraw/zinc/31/58/88/563315888.db2.gz VEOPFOJABJFDIP-OAHLLOKOSA-N 1 1 381.479 2.576 20 5 GFBDMO C[N@H+]1CC[C@@]2(CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000297190693 563319083 /nfs/dbraw/zinc/31/90/83/563319083.db2.gz UHBMVXSHOBUKEP-CQSZACIVSA-N 1 1 394.280 2.618 20 5 GFBDMO CC(C)C[C@@H](CNc1ncc(Br)cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000301703882 563411261 /nfs/dbraw/zinc/41/12/61/563411261.db2.gz USFSMCULJOASAT-ZDUSSCGKSA-N 1 1 387.278 2.911 20 5 GFBDMO C[C@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438329 563422417 /nfs/dbraw/zinc/42/24/17/563422417.db2.gz CXRMZHRTISSXOL-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO C[NH+]1CCN(CCC(C)(C)Nc2ncc([N+](=O)[O-])cc2Br)CC1 ZINC000302284492 563424558 /nfs/dbraw/zinc/42/45/58/563424558.db2.gz VJOOCKMPJXZNOQ-UHFFFAOYSA-N 1 1 386.294 2.580 20 5 GFBDMO CC[N@H+]1C[C@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000330563121 563510929 /nfs/dbraw/zinc/51/09/29/563510929.db2.gz JURMAPWUJLTJGZ-RYUDHWBXSA-N 1 1 399.289 2.710 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000285538964 563525817 /nfs/dbraw/zinc/52/58/17/563525817.db2.gz HUPVPQXJWQMBGL-NHYWBVRUSA-N 1 1 382.258 2.832 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332046513 563572615 /nfs/dbraw/zinc/57/26/15/563572615.db2.gz MKBGQIYKAQGVAC-CABCVRRESA-N 1 1 382.258 2.643 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000440077891 563735111 /nfs/dbraw/zinc/73/51/11/563735111.db2.gz KTXFBOJUNPAUMT-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO O=C(Cc1ccc([N+](=O)[O-])cc1Br)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000364079406 563742484 /nfs/dbraw/zinc/74/24/84/563742484.db2.gz UISWGVCBSDULIX-CHWSQXEVSA-N 1 1 382.258 2.643 20 5 GFBDMO O=C(NC[C@@H]1CCc2[nH+]ccn2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365781075 563792939 /nfs/dbraw/zinc/79/29/39/563792939.db2.gz VLJRUCOOTIKZAX-QMMMGPOBSA-N 1 1 385.243 2.608 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000550624131 564627571 /nfs/dbraw/zinc/62/75/71/564627571.db2.gz JXSODYYKLMXJOO-JTQLQIEISA-N 1 1 386.861 2.676 20 5 GFBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553045570 564708071 /nfs/dbraw/zinc/70/80/71/564708071.db2.gz BMLIVPVVXSNVNU-JTQLQIEISA-N 1 1 375.256 2.901 20 5 GFBDMO COc1ncccc1C[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000576554336 564715712 /nfs/dbraw/zinc/71/57/12/564715712.db2.gz DJMJWEMXMASCMS-UHFFFAOYSA-N 1 1 399.188 2.893 20 5 GFBDMO CNC(=O)C1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000459613990 564754003 /nfs/dbraw/zinc/75/40/03/564754003.db2.gz UUOSXEQTHGOZHM-UHFFFAOYSA-N 1 1 394.225 2.795 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462494055 564843359 /nfs/dbraw/zinc/84/33/59/564843359.db2.gz XEBMJTSKESYLCR-WCBMZHEXSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462494055 564843361 /nfs/dbraw/zinc/84/33/61/564843361.db2.gz XEBMJTSKESYLCR-WCBMZHEXSA-N 1 1 382.269 2.663 20 5 GFBDMO CC[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463034843 564867651 /nfs/dbraw/zinc/86/76/51/564867651.db2.gz NPUJRIUPDCTWLH-LBPRGKRZSA-N 1 1 376.194 2.810 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000585697671 565105113 /nfs/dbraw/zinc/10/51/13/565105113.db2.gz PLTKWWSJPUAIIC-UHFFFAOYSA-N 1 1 382.258 2.834 20 5 GFBDMO C[C@]12COC[C@H]1C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758943 565490785 /nfs/dbraw/zinc/49/07/85/565490785.db2.gz NNFVIEKHNODXBU-RISCZKNCSA-N 1 1 388.205 2.668 20 5 GFBDMO C[C@]12COC[C@H]1C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758943 565490792 /nfs/dbraw/zinc/49/07/92/565490792.db2.gz NNFVIEKHNODXBU-RISCZKNCSA-N 1 1 388.205 2.668 20 5 GFBDMO O=C(C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)NC1CCCCC1 ZINC000602538837 565854232 /nfs/dbraw/zinc/85/42/32/565854232.db2.gz XTXNXURHYZLSNB-UHFFFAOYSA-N 1 1 376.276 2.957 20 5 GFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736291708 598976131 /nfs/dbraw/zinc/97/61/31/598976131.db2.gz YDFJKEOBTLFCPI-OAHLLOKOSA-N 1 1 393.451 2.876 20 5 GFBDMO C[C@H](c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1)[NH+]1CCOCC1 ZINC000736197933 598796920 /nfs/dbraw/zinc/79/69/20/598796920.db2.gz FEHVAMNSZYCMMI-CYBMUJFWSA-N 1 1 395.423 2.912 20 5 GFBDMO Cc1cccc2c(NCCOc3ccc([N+](=O)[O-])cc3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822335874 599547567 /nfs/dbraw/zinc/54/75/67/599547567.db2.gz NBBVKWRYURYKGL-UHFFFAOYSA-N 1 1 391.391 2.544 20 5 GFBDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000820728853 606138682 /nfs/dbraw/zinc/13/86/82/606138682.db2.gz ZNJGXQVSTPQFOU-HNNXBMFYSA-N 1 1 393.451 2.876 20 5 GFBDMO CCN1CC[NH+](CCCNc2ncc([N+](=O)[O-])c(C)c2Br)CC1 ZINC000542505834 650406626 /nfs/dbraw/zinc/40/66/26/650406626.db2.gz MNGJESASUJSIMR-UHFFFAOYSA-N 1 1 386.294 2.500 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122821591 654743964 /nfs/dbraw/zinc/74/39/64/654743964.db2.gz NGAXEXUYMZPXMJ-LLVKDONJSA-N 1 1 375.497 2.607 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000838144523 661030443 /nfs/dbraw/zinc/03/04/43/661030443.db2.gz OYJMNGPLLQCNMN-JTQLQIEISA-N 1 1 388.237 2.958 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267939698 654953399 /nfs/dbraw/zinc/95/33/99/654953399.db2.gz RJMFWJQWFLAINA-SNVBAGLBSA-N 1 1 388.237 2.910 20 5 GFBDMO O=C1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CCN1 ZINC000093101715 655017569 /nfs/dbraw/zinc/01/75/69/655017569.db2.gz HSPNDSYSKADZKD-UHFFFAOYSA-N 1 1 394.225 2.939 20 5 GFBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2Br)CN1 ZINC000839530557 661090184 /nfs/dbraw/zinc/09/01/84/661090184.db2.gz ACBISZRXTKAEAA-STQMWFEESA-N 1 1 382.258 2.848 20 5 GFBDMO CC(C)[N@@H+](C)Cc1ccccc1CNS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119553644 655307046 /nfs/dbraw/zinc/30/70/46/655307046.db2.gz LIUOQFOWRIMVAM-UHFFFAOYSA-N 1 1 383.495 2.975 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246063015 655428889 /nfs/dbraw/zinc/42/88/89/655428889.db2.gz DKDQKBIQBWZFTF-WCQYABFASA-N 1 1 375.878 2.599 20 5 GFBDMO C[C@@H]1CN(Cn2cc(Br)c([N+](=O)[O-])n2)CC[N@H+]1Cc1ccccc1 ZINC000840177604 661144232 /nfs/dbraw/zinc/14/42/32/661144232.db2.gz IUVHVBUVXXLNIM-CYBMUJFWSA-N 1 1 394.273 2.718 20 5 GFBDMO O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000746657884 655765678 /nfs/dbraw/zinc/76/56/78/655765678.db2.gz LMBKEIJKHIBKFY-UHFFFAOYSA-N 1 1 381.845 2.950 20 5 GFBDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814378 656252452 /nfs/dbraw/zinc/25/24/52/656252452.db2.gz QVHQBQYUZANUGF-TZMCWYRMSA-N 1 1 381.479 2.770 20 5 GFBDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814378 656252454 /nfs/dbraw/zinc/25/24/54/656252454.db2.gz QVHQBQYUZANUGF-TZMCWYRMSA-N 1 1 381.479 2.770 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000779874392 656951948 /nfs/dbraw/zinc/95/19/48/656951948.db2.gz PDYYDOOIGNEYFB-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419000 658094215 /nfs/dbraw/zinc/09/42/15/658094215.db2.gz RMYNYARPLNBUHC-SECBINFHSA-N 1 1 382.269 2.664 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC[N@H+]1C ZINC000809821100 659943058 /nfs/dbraw/zinc/94/30/58/659943058.db2.gz HWZSHNXAZJOJLK-DTWKUNHWSA-N 1 1 382.269 2.663 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000815018921 660102330 /nfs/dbraw/zinc/10/23/30/660102330.db2.gz DNTJHKFVEKANLW-LLVKDONJSA-N 1 1 393.868 2.740 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 ZINC000842722781 661351198 /nfs/dbraw/zinc/35/11/98/661351198.db2.gz UGNZGOJOWZNLPS-CYBMUJFWSA-N 1 1 382.825 2.573 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848508319 661658503 /nfs/dbraw/zinc/65/85/03/661658503.db2.gz KWELFCUJPVAIHJ-STQMWFEESA-N 1 1 387.889 2.852 20 5 GFBDMO O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+]Cc2ccsc2Br)cc1 ZINC000858138774 662100715 /nfs/dbraw/zinc/10/07/15/662100715.db2.gz KFKSRNLOXPZGPE-CHWSQXEVSA-N 1 1 387.255 2.603 20 5 GFBDMO CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877036220 662869948 /nfs/dbraw/zinc/86/99/48/662869948.db2.gz PJZKWKBKXDXSHM-UHFFFAOYSA-N 1 1 385.305 2.722 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879022969 662913623 /nfs/dbraw/zinc/91/36/23/662913623.db2.gz DPLLBOPGMIFXGJ-MFKMUULPSA-N 1 1 383.246 2.915 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(Cl)cc1[N+](=O)[O-])C2 ZINC001164812361 720072853 /nfs/dbraw/zinc/07/28/53/720072853.db2.gz QTLXWXKJYGYBCP-RDTXWAMCSA-N 1 1 380.876 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)nc2c1 ZINC001164722156 720344755 /nfs/dbraw/zinc/34/47/55/720344755.db2.gz FGXNCFKWYLONHQ-RBUKOAKNSA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c21 ZINC001164726190 720471819 /nfs/dbraw/zinc/47/18/19/720471819.db2.gz KQBFAENIGMBVGN-IAGOWNOFSA-N 1 1 376.420 2.786 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@H]3C2)cn1 ZINC001164769088 721123152 /nfs/dbraw/zinc/12/31/52/721123152.db2.gz PMNGVOHTODHWKW-DLBZAZTESA-N 1 1 392.463 2.835 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc5c(cccc5[N+](=O)[O-])n4)C[C@@H]3C2)cn1 ZINC001164769095 721123500 /nfs/dbraw/zinc/12/35/00/721123500.db2.gz PMNGVOHTODHWKW-SJORKVTESA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c21 ZINC001164788004 721434698 /nfs/dbraw/zinc/43/46/98/721434698.db2.gz RRCMMHYJWADUEJ-CHWSQXEVSA-N 1 1 382.449 2.563 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164805386 721560020 /nfs/dbraw/zinc/56/00/20/721560020.db2.gz NDYHZINFVMQZSF-IHPCNDPISA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-] ZINC001164805386 721560025 /nfs/dbraw/zinc/56/00/25/721560025.db2.gz NDYHZINFVMQZSF-IHPCNDPISA-N 1 1 397.479 2.870 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164952562 722015033 /nfs/dbraw/zinc/01/50/33/722015033.db2.gz NQKJWSPYUKCHGR-UHFFFAOYSA-N 1 1 398.423 2.786 20 5 GFBDMO C[N@@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155469712 551500624 /nfs/dbraw/zinc/50/06/24/551500624.db2.gz WDXWPSGVCXYMHB-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO C[N@H+]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000155469712 551500626 /nfs/dbraw/zinc/50/06/26/551500626.db2.gz WDXWPSGVCXYMHB-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000173665504 552091088 /nfs/dbraw/zinc/09/10/88/552091088.db2.gz OPESJXSWRRTPHM-CYBMUJFWSA-N 1 1 375.878 2.743 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1[N+](=O)[O-])c1ccco1 ZINC000175528917 552124113 /nfs/dbraw/zinc/12/41/13/552124113.db2.gz HSUOAGONXQCFFA-ZDUSSCGKSA-N 1 1 382.214 2.983 20 5 GFBDMO Cc1nc(C(C)(C)[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C ZINC000182193975 552277614 /nfs/dbraw/zinc/27/76/14/552277614.db2.gz NVECWVYBCGVEBD-UHFFFAOYSA-N 1 1 383.495 2.967 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)CC[C@H]21 ZINC000248142517 553127946 /nfs/dbraw/zinc/12/79/46/553127946.db2.gz PUUPAJKRMHBPCW-XJKSGUPXSA-N 1 1 396.285 2.843 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cc1 ZINC000261811712 553159724 /nfs/dbraw/zinc/15/97/24/553159724.db2.gz OWLXMQLORHUAOJ-MRXNPFEDSA-N 1 1 381.841 2.583 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000376116300 563430897 /nfs/dbraw/zinc/43/08/97/563430897.db2.gz QCUXICRNSNCEGC-ZJUUUORDSA-N 1 1 388.287 2.975 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@@H]21 ZINC000376729792 563452017 /nfs/dbraw/zinc/45/20/17/563452017.db2.gz STWQBZUJRSBWNJ-ZANVPECISA-N 1 1 386.221 2.663 20 5 GFBDMO CC[C@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393464 563822655 /nfs/dbraw/zinc/82/26/55/563822655.db2.gz VHPIIJMGUJVYPW-JTQLQIEISA-N 1 1 383.392 2.622 20 5 GFBDMO CCc1[nH]nc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000471367195 564193827 /nfs/dbraw/zinc/19/38/27/564193827.db2.gz SRKLZSNSFFXRKG-UHFFFAOYSA-N 1 1 396.245 2.957 20 5 GFBDMO Cc1c(Br)c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000486013141 564635086 /nfs/dbraw/zinc/63/50/86/564635086.db2.gz CJFALZVTWOFMKZ-NSHDSACASA-N 1 1 399.289 2.750 20 5 GFBDMO Cc1c(Br)c(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)ncc1[N+](=O)[O-] ZINC000486013141 564635089 /nfs/dbraw/zinc/63/50/89/564635089.db2.gz CJFALZVTWOFMKZ-NSHDSACASA-N 1 1 399.289 2.750 20 5 GFBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000524264936 564679258 /nfs/dbraw/zinc/67/92/58/564679258.db2.gz JJOKWIAXAFGSOF-AWEZNQCLSA-N 1 1 399.289 2.712 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H]1CCC[C@@H]1O ZINC000554936128 564778242 /nfs/dbraw/zinc/77/82/42/564778242.db2.gz NYBVYVOBQAVOBJ-FZMZJTMJSA-N 1 1 390.221 2.792 20 5 GFBDMO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)s1 ZINC000494027388 564815680 /nfs/dbraw/zinc/81/56/80/564815680.db2.gz MHWLKOZWKXEKRP-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO COCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Br)s1 ZINC000494027388 564815683 /nfs/dbraw/zinc/81/56/83/564815683.db2.gz MHWLKOZWKXEKRP-UHFFFAOYSA-N 1 1 389.275 2.764 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000530617363 564889037 /nfs/dbraw/zinc/88/90/37/564889037.db2.gz ZDLXRPNGJVRXPQ-LBPRGKRZSA-N 1 1 389.886 2.891 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000584543632 565086699 /nfs/dbraw/zinc/08/66/99/565086699.db2.gz SLHHHULFKYLXTN-LBPRGKRZSA-N 1 1 382.258 2.974 20 5 GFBDMO Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000599683896 565696472 /nfs/dbraw/zinc/69/64/72/565696472.db2.gz XDSSJXYDAJUJBP-WCQYABFASA-N 1 1 383.202 2.669 20 5 GFBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000599838816 565704891 /nfs/dbraw/zinc/70/48/91/565704891.db2.gz BLIGXPZXUSJBGQ-NWDGAFQWSA-N 1 1 386.221 2.616 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000603975908 565920807 /nfs/dbraw/zinc/92/08/07/565920807.db2.gz NRTNRWZCPJRMGR-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO Cn1cc[nH+]c1C[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1)c1ccccc1 ZINC000822699221 599091710 /nfs/dbraw/zinc/09/17/10/599091710.db2.gz SMNUQGAEDIAWDK-QGZVFWFLSA-N 1 1 390.407 2.904 20 5 GFBDMO CC(C)C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824261385 607552772 /nfs/dbraw/zinc/55/27/72/607552772.db2.gz JFIGLFGCZLPBLX-IBGZPJMESA-N 1 1 396.451 2.967 20 5 GFBDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000237745223 655426594 /nfs/dbraw/zinc/42/65/94/655426594.db2.gz HESMCQXDXWILFU-UHFFFAOYSA-N 1 1 383.857 2.625 20 5 GFBDMO C[N@H+](CCn1cc(Br)cn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000576737391 655451905 /nfs/dbraw/zinc/45/19/05/655451905.db2.gz KENNZESWXJJQTH-UHFFFAOYSA-N 1 1 397.229 2.552 20 5 GFBDMO C[N@@H+](CCn1cc(Br)cn1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000576737391 655451907 /nfs/dbraw/zinc/45/19/07/655451907.db2.gz KENNZESWXJJQTH-UHFFFAOYSA-N 1 1 397.229 2.552 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000264670699 655468220 /nfs/dbraw/zinc/46/82/20/655468220.db2.gz UITPARDYIGBYOK-UHFFFAOYSA-N 1 1 375.397 2.630 20 5 GFBDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000730815623 655578741 /nfs/dbraw/zinc/57/87/41/655578741.db2.gz ZURRKMIBVBUFQN-TXEJJXNPSA-N 1 1 375.878 2.789 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000766208142 656165127 /nfs/dbraw/zinc/16/51/27/656165127.db2.gz WGPODYPKTYTPRL-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000766208142 656165129 /nfs/dbraw/zinc/16/51/29/656165129.db2.gz WGPODYPKTYTPRL-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768845138 656255559 /nfs/dbraw/zinc/25/55/59/656255559.db2.gz ZNSOYPCVOJMCNT-CQSZACIVSA-N 1 1 381.479 2.551 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788740302 657780478 /nfs/dbraw/zinc/78/04/78/657780478.db2.gz QNRIJVHOGISALE-AWEZNQCLSA-N 1 1 381.841 2.694 20 5 GFBDMO Cc1cc(N2CCN(c3[nH+]ccn3C)CC2)c(Br)cc1[N+](=O)[O-] ZINC000788844736 657789529 /nfs/dbraw/zinc/78/95/29/657789529.db2.gz INHGCQVORDMMPR-UHFFFAOYSA-N 1 1 380.246 2.726 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798164284 659077251 /nfs/dbraw/zinc/07/72/51/659077251.db2.gz JFDJYLNKDMQHMW-GHMZBOCLSA-N 1 1 385.262 2.603 20 5 GFBDMO C[C@H]1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+]1Cc1ccccc1 ZINC000808326169 659888614 /nfs/dbraw/zinc/88/86/14/659888614.db2.gz NKTAPGACBOTRLQ-SWLSCSKDSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@H]1[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)CC[N@H+]1Cc1ccccc1 ZINC000808326169 659888616 /nfs/dbraw/zinc/88/86/16/659888616.db2.gz NKTAPGACBOTRLQ-SWLSCSKDSA-N 1 1 381.479 2.598 20 5 GFBDMO CN(CC[C@@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820650 659942723 /nfs/dbraw/zinc/94/27/23/659942723.db2.gz FHFFDENOUDXHMM-NSHDSACASA-N 1 1 393.868 2.882 20 5 GFBDMO C[C@@H]1CC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809822344 659943331 /nfs/dbraw/zinc/94/33/31/659943331.db2.gz IEYZQTNOICNQDN-SECBINFHSA-N 1 1 382.269 2.522 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000814988705 660100039 /nfs/dbraw/zinc/10/00/39/660100039.db2.gz SPXVPPDUXHGTID-GHMZBOCLSA-N 1 1 393.868 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1 ZINC000842721940 661351000 /nfs/dbraw/zinc/35/10/00/661351000.db2.gz MXADPMGDHANWMI-CYBMUJFWSA-N 1 1 382.825 2.573 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000849411205 661718154 /nfs/dbraw/zinc/71/81/54/661718154.db2.gz AUCGWAXXDYZYHS-SNVBAGLBSA-N 1 1 393.868 2.786 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)C1 ZINC000856730142 662039348 /nfs/dbraw/zinc/03/93/48/662039348.db2.gz IFRMWVIJZBSCKT-CYBMUJFWSA-N 1 1 383.290 2.574 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(c3cccc(Br)c3[N+](=O)[O-])CC2)C1 ZINC000856730143 662039461 /nfs/dbraw/zinc/03/94/61/662039461.db2.gz IFRMWVIJZBSCKT-ZDUSSCGKSA-N 1 1 383.290 2.574 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](O)C3)o2)c(Br)c1 ZINC000877748733 662882905 /nfs/dbraw/zinc/88/29/05/662882905.db2.gz KVGKQTUBAFPRFE-CABCVRRESA-N 1 1 397.225 2.545 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000878709377 662903367 /nfs/dbraw/zinc/90/33/67/662903367.db2.gz LLXYCPLXOJPPTH-AWEZNQCLSA-N 1 1 383.246 2.528 20 5 GFBDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(F)(F)F ZINC000893341767 663407830 /nfs/dbraw/zinc/40/78/30/663407830.db2.gz BCBNHUZWZCERSW-CYBMUJFWSA-N 1 1 378.738 2.521 20 5 GFBDMO C[C@@H](CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl)C[NH+]1CCOCC1 ZINC000896501887 663559801 /nfs/dbraw/zinc/55/98/01/663559801.db2.gz QBHFWUZHAIAHET-VIFPVBQESA-N 1 1 394.230 2.739 20 5 GFBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@@]2(C)C1 ZINC000913281637 664331402 /nfs/dbraw/zinc/33/14/02/664331402.db2.gz BHDIEOPJAWPWBX-IYBDPMFKSA-N 1 1 382.258 2.771 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834720 720510168 /nfs/dbraw/zinc/51/01/68/720510168.db2.gz HGYPYJCBZJIUTL-NZSAHSFTSA-N 1 1 384.484 2.873 20 5 GFBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC001164838464 720528605 /nfs/dbraw/zinc/52/86/05/720528605.db2.gz OADWRNZXEZSAKD-HFTRVMKXSA-N 1 1 388.447 2.703 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164843651 720697689 /nfs/dbraw/zinc/69/76/89/720697689.db2.gz PUEWCQATYUJRGQ-QGZVFWFLSA-N 1 1 397.479 2.832 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867501 721048159 /nfs/dbraw/zinc/04/81/59/721048159.db2.gz JHZSVLWRNZPLNL-HZPDHXFCSA-N 1 1 389.843 2.518 20 5 GFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867115 721049597 /nfs/dbraw/zinc/04/95/97/721049597.db2.gz HYQGGYWQVFCBDN-CABCVRRESA-N 1 1 389.843 2.518 20 5 GFBDMO Cc1cccc(NC2CCN(CC(=O)N(C)c3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000359864453 206265227 /nfs/dbraw/zinc/26/52/27/206265227.db2.gz ALQAERWNTQTSRG-UHFFFAOYSA-N 1 1 383.452 2.838 20 5 GFBDMO C[N@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000053691055 551167790 /nfs/dbraw/zinc/16/77/90/551167790.db2.gz OWDIRFIVSAOFNG-UHFFFAOYSA-N 1 1 383.857 2.659 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)Cc1ccccc1 ZINC000053691055 551167791 /nfs/dbraw/zinc/16/77/91/551167791.db2.gz OWDIRFIVSAOFNG-UHFFFAOYSA-N 1 1 383.857 2.659 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000110375824 551204268 /nfs/dbraw/zinc/20/42/68/551204268.db2.gz OVVJVPSFHNUGBP-LLVKDONJSA-N 1 1 377.413 2.735 20 5 GFBDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1ncc([N+](=O)[O-])cc1Br ZINC000130133189 551362183 /nfs/dbraw/zinc/36/21/83/551362183.db2.gz SWLPUQBSENWFMT-UHFFFAOYSA-N 1 1 387.278 2.547 20 5 GFBDMO C[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000153016833 551444885 /nfs/dbraw/zinc/44/48/85/551444885.db2.gz SGHFPRPPHMWMNQ-UMNHJUIQSA-N 1 1 379.240 2.751 20 5 GFBDMO C[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000153016833 551444888 /nfs/dbraw/zinc/44/48/88/551444888.db2.gz SGHFPRPPHMWMNQ-UMNHJUIQSA-N 1 1 379.240 2.751 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+](Cc2cccc(Br)c2)C2CC2)c1 ZINC000173476045 552086196 /nfs/dbraw/zinc/08/61/96/552086196.db2.gz YMNCMCFXMZWAJZ-INIZCTEOSA-N 1 1 395.257 2.579 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)C1 ZINC000176728160 552145229 /nfs/dbraw/zinc/14/52/29/552145229.db2.gz DVBIUDWDYCSKQO-ZDUSSCGKSA-N 1 1 389.905 2.909 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000178772577 552174906 /nfs/dbraw/zinc/17/49/06/552174906.db2.gz DSCPYOOGIJYRKR-CYBMUJFWSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000178772577 552174908 /nfs/dbraw/zinc/17/49/08/552174908.db2.gz DSCPYOOGIJYRKR-CYBMUJFWSA-N 1 1 382.258 2.976 20 5 GFBDMO [NH3+]C[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237933163 553084034 /nfs/dbraw/zinc/08/40/34/553084034.db2.gz MJOFJJHZDBZOOM-GZMMTYOYSA-N 1 1 382.269 2.697 20 5 GFBDMO [NH3+]C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000237995897 553084448 /nfs/dbraw/zinc/08/44/48/553084448.db2.gz MJOFJJHZDBZOOM-KCJUWKMLSA-N 1 1 382.269 2.697 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000369538663 563216678 /nfs/dbraw/zinc/21/66/78/563216678.db2.gz DMFWFSAWDWGKIQ-HZMBPMFUSA-N 1 1 387.508 2.689 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000295200323 563234943 /nfs/dbraw/zinc/23/49/43/563234943.db2.gz SKQPYNRFKVCPKT-BXKDBHETSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000295200323 563234945 /nfs/dbraw/zinc/23/49/45/563234945.db2.gz SKQPYNRFKVCPKT-BXKDBHETSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cccc([N+](=O)[O-])c3Br)C2)C1 ZINC000295484776 563250506 /nfs/dbraw/zinc/25/05/06/563250506.db2.gz CJJCUEABFCDXDO-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO CS(=O)(=O)C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000279626547 563303335 /nfs/dbraw/zinc/30/33/35/563303335.db2.gz BGXVVUHCOFEIJZ-UHFFFAOYSA-N 1 1 381.479 2.775 20 5 GFBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376401834 563441097 /nfs/dbraw/zinc/44/10/97/563441097.db2.gz DPHKJAOXHOZSLZ-NNQSOWQGSA-N 1 1 396.285 2.983 20 5 GFBDMO COc1ccc(OCC[NH2+][C@@H](C)c2ncc(Br)cn2)c([N+](=O)[O-])c1 ZINC000433003785 563600449 /nfs/dbraw/zinc/60/04/49/563600449.db2.gz BAKPZIUAHDLETB-JTQLQIEISA-N 1 1 397.229 2.886 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000440088334 563736581 /nfs/dbraw/zinc/73/65/81/563736581.db2.gz NOZKEJJNTDQSAM-GFCCVEGCSA-N 1 1 375.878 2.708 20 5 GFBDMO CN(C[C@H]1CCc2[nH+]ccn2C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365463602 563784334 /nfs/dbraw/zinc/78/43/34/563784334.db2.gz PBANRVDJUURPJZ-SECBINFHSA-N 1 1 399.270 2.950 20 5 GFBDMO O=C(NC[C@H]1CCc2[nH+]ccn2C1)c1sc(Br)cc1[N+](=O)[O-] ZINC000365781073 563792892 /nfs/dbraw/zinc/79/28/92/563792892.db2.gz VLJRUCOOTIKZAX-MRVPVSSYSA-N 1 1 385.243 2.608 20 5 GFBDMO O=[N+]([O-])c1cnc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000443522104 563807949 /nfs/dbraw/zinc/80/79/49/563807949.db2.gz XLKAQVWKDXULFH-UHFFFAOYSA-N 1 1 381.889 2.751 20 5 GFBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000416393465 563822514 /nfs/dbraw/zinc/82/25/14/563822514.db2.gz VHPIIJMGUJVYPW-SNVBAGLBSA-N 1 1 383.392 2.622 20 5 GFBDMO C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552731 563847007 /nfs/dbraw/zinc/84/70/07/563847007.db2.gz HXMDAXFJLWMGCI-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000416552731 563847009 /nfs/dbraw/zinc/84/70/09/563847009.db2.gz HXMDAXFJLWMGCI-JTQLQIEISA-N 1 1 396.296 2.912 20 5 GFBDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000447931729 563891320 /nfs/dbraw/zinc/89/13/20/563891320.db2.gz OYFLFLCNIUGKEK-AWEZNQCLSA-N 1 1 375.878 2.647 20 5 GFBDMO C[NH+](C)Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]c2=O)cc1Br ZINC000471368740 564193864 /nfs/dbraw/zinc/19/38/64/564193864.db2.gz HZHFBHSFRJUZLV-UHFFFAOYSA-N 1 1 395.213 2.772 20 5 GFBDMO [NH3+]C[C@H]1CC[C@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000566224343 564318451 /nfs/dbraw/zinc/31/84/51/564318451.db2.gz MBRYASZHUHVABA-MGCOHNPYSA-N 1 1 396.296 2.945 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000546179188 564448781 /nfs/dbraw/zinc/44/87/81/564448781.db2.gz VZLVTYFSPGIJEZ-MRXNPFEDSA-N 1 1 383.857 2.829 20 5 GFBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000554913340 564777124 /nfs/dbraw/zinc/77/71/24/564777124.db2.gz WDONMELHEDQKLS-JTQLQIEISA-N 1 1 383.392 2.621 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000562047495 565016253 /nfs/dbraw/zinc/01/62/53/565016253.db2.gz QLMSSBXLLMOSLJ-LBPRGKRZSA-N 1 1 376.194 2.810 20 5 GFBDMO Cc1ccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598597796 565629328 /nfs/dbraw/zinc/62/93/28/565629328.db2.gz IMMAHVNNMITRMD-ZDUSSCGKSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1noc(C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)c1[N+](=O)[O-] ZINC000599573804 565690414 /nfs/dbraw/zinc/69/04/14/565690414.db2.gz YGJHJYJOQZKDOF-INIZCTEOSA-N 1 1 396.241 2.663 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000603975575 565920922 /nfs/dbraw/zinc/92/09/22/565920922.db2.gz BKBLFVRRLYZZNZ-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c(-c2nn[nH]n2)c1 ZINC000738368971 598945273 /nfs/dbraw/zinc/94/52/73/598945273.db2.gz GSLHHFCDKRZCIT-MRXNPFEDSA-N 1 1 379.424 2.851 20 5 GFBDMO C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820727451 599109924 /nfs/dbraw/zinc/10/99/24/599109924.db2.gz MBAZORAFODWXFM-OAHLLOKOSA-N 1 1 393.451 2.876 20 5 GFBDMO COc1ccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[nH]n1 ZINC000826193577 607523745 /nfs/dbraw/zinc/52/37/45/607523745.db2.gz HVEBDPAJPXGKIK-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO COc1ccc(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1-c1nn[nH]n1 ZINC000826193577 607523746 /nfs/dbraw/zinc/52/37/46/607523746.db2.gz HVEBDPAJPXGKIK-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824293137 607552526 /nfs/dbraw/zinc/55/25/26/607552526.db2.gz GDAPURINONDRPI-GOSISDBHSA-N 1 1 382.424 2.719 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000823634067 606158624 /nfs/dbraw/zinc/15/86/24/606158624.db2.gz ANGFUHUIJUVTLU-UHFFFAOYSA-N 1 1 397.414 2.626 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c(F)c1 ZINC000823634067 606158626 /nfs/dbraw/zinc/15/86/26/606158626.db2.gz ANGFUHUIJUVTLU-UHFFFAOYSA-N 1 1 397.414 2.626 20 5 GFBDMO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826499341 608466678 /nfs/dbraw/zinc/46/66/78/608466678.db2.gz FFQMUESDQSPHNQ-IBGZPJMESA-N 1 1 392.419 2.598 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(C)C ZINC000831190745 660702781 /nfs/dbraw/zinc/70/27/81/660702781.db2.gz IJHGHODCKIYVKN-UHFFFAOYSA-N 1 1 384.285 2.910 20 5 GFBDMO C[N@H+](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCSC1 ZINC000129615930 654868128 /nfs/dbraw/zinc/86/81/28/654868128.db2.gz FVMJVAIZJCDPRT-LBPRGKRZSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCSC1 ZINC000129615930 654868130 /nfs/dbraw/zinc/86/81/30/654868130.db2.gz FVMJVAIZJCDPRT-LBPRGKRZSA-N 1 1 389.271 2.838 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000066000604 654892304 /nfs/dbraw/zinc/89/23/04/654892304.db2.gz MEABBCTXSNDARG-BETUJISGSA-N 1 1 375.516 2.693 20 5 GFBDMO C[C@@H]1C[C@@H](NC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C[N@H+]1C1CC1 ZINC000267908111 654951487 /nfs/dbraw/zinc/95/14/87/654951487.db2.gz BYMHPGWUOFEGAR-PSASIEDQSA-N 1 1 386.221 2.851 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000272533616 655115800 /nfs/dbraw/zinc/11/58/00/655115800.db2.gz RBJZRYWIPOYISU-NHYWBVRUSA-N 1 1 382.258 2.832 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1Br ZINC000839528322 661090060 /nfs/dbraw/zinc/09/00/60/661090060.db2.gz OLRHHWYAXKCOSP-UHFFFAOYSA-N 1 1 380.246 2.861 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119585148 655307924 /nfs/dbraw/zinc/30/79/24/655307924.db2.gz XRWGVVAHPUMQLA-BETUJISGSA-N 1 1 375.516 2.693 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000119969312 655323391 /nfs/dbraw/zinc/32/33/91/655323391.db2.gz SLNHDVBNQUSLSV-JSGCOSHPSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000119969312 655323394 /nfs/dbraw/zinc/32/33/94/655323394.db2.gz SLNHDVBNQUSLSV-JSGCOSHPSA-N 1 1 381.479 2.598 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246158286 655429317 /nfs/dbraw/zinc/42/93/17/655429317.db2.gz AAJJBLZEGCXFJA-NWDGAFQWSA-N 1 1 375.878 2.660 20 5 GFBDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000575992225 655441796 /nfs/dbraw/zinc/44/17/96/655441796.db2.gz VHWBLLHBPPBZEN-UHFFFAOYSA-N 1 1 383.857 2.570 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000725822968 655526963 /nfs/dbraw/zinc/52/69/63/655526963.db2.gz PEBJIOMRKSZKIW-NEPJUHHUSA-N 1 1 375.878 2.647 20 5 GFBDMO C[C@H](CNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000727826920 655549883 /nfs/dbraw/zinc/54/98/83/655549883.db2.gz KLPOIFIMZYZWKJ-SECBINFHSA-N 1 1 381.376 2.783 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746053055 655757940 /nfs/dbraw/zinc/75/79/40/655757940.db2.gz GRKBXDKMVVCTCV-CYBMUJFWSA-N 1 1 387.889 2.601 20 5 GFBDMO COCC[N@H+](CCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746051751 655757951 /nfs/dbraw/zinc/75/79/51/655757951.db2.gz RMZSCZCBWFYSPA-UHFFFAOYSA-N 1 1 383.246 2.702 20 5 GFBDMO COCC[N@@H+](CCc1ccccc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000746051751 655757952 /nfs/dbraw/zinc/75/79/52/655757952.db2.gz RMZSCZCBWFYSPA-UHFFFAOYSA-N 1 1 383.246 2.702 20 5 GFBDMO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000751227812 655823265 /nfs/dbraw/zinc/82/32/65/655823265.db2.gz LCTSJVWSXAOMPW-NSHDSACASA-N 1 1 377.413 2.877 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000840950291 661217049 /nfs/dbraw/zinc/21/70/49/661217049.db2.gz GQQZKHPSRPDDSS-SNVBAGLBSA-N 1 1 386.861 2.676 20 5 GFBDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798161568 659077281 /nfs/dbraw/zinc/07/72/81/659077281.db2.gz BUADHIPXYKIFBF-LBPRGKRZSA-N 1 1 399.289 2.994 20 5 GFBDMO CN(C)c1nc(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)cc[nH+]1 ZINC000804703577 659670566 /nfs/dbraw/zinc/67/05/66/659670566.db2.gz QODFQKKXLMUAGS-UHFFFAOYSA-N 1 1 378.230 2.776 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000809808385 659940134 /nfs/dbraw/zinc/94/01/34/659940134.db2.gz QZNUFCQXMXBGBM-MNOVXSKESA-N 1 1 393.868 2.929 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1Cl ZINC000809809442 659940625 /nfs/dbraw/zinc/94/06/25/659940625.db2.gz XZCAIRDUTPZTLI-NEPJUHHUSA-N 1 1 394.280 2.807 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C[C@H]1C ZINC000809820033 659942594 /nfs/dbraw/zinc/94/25/94/659942594.db2.gz LESHDNDHRMZOCH-GHMZBOCLSA-N 1 1 393.868 2.881 20 5 GFBDMO C[C@H]1CC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000809822345 659943268 /nfs/dbraw/zinc/94/32/68/659943268.db2.gz IEYZQTNOICNQDN-VIFPVBQESA-N 1 1 382.269 2.522 20 5 GFBDMO COC(=O)CC[N@H+]1CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000809973188 659954160 /nfs/dbraw/zinc/95/41/60/659954160.db2.gz VBRLJNLHRCPRLA-NSHDSACASA-N 1 1 390.267 2.971 20 5 GFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCn3cnc(Br)n3)C2)cc1 ZINC000852135652 661854138 /nfs/dbraw/zinc/85/41/38/661854138.db2.gz QPRJPUPCJBXHCH-ZDUSSCGKSA-N 1 1 380.246 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCn3cnc(Br)n3)C2)cc1 ZINC000852135652 661854139 /nfs/dbraw/zinc/85/41/39/661854139.db2.gz QPRJPUPCJBXHCH-ZDUSSCGKSA-N 1 1 380.246 2.828 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866856582 662504308 /nfs/dbraw/zinc/50/43/08/662504308.db2.gz FOHRHHNMLBANPB-UHFFFAOYSA-N 1 1 395.257 2.953 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000874839564 662838065 /nfs/dbraw/zinc/83/80/65/662838065.db2.gz WYYVOKJDUSIWGG-NEPJUHHUSA-N 1 1 386.221 2.805 20 5 GFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000886273585 663106596 /nfs/dbraw/zinc/10/65/96/663106596.db2.gz CEQRLKACWNJNHO-ZDUSSCGKSA-N 1 1 379.214 2.801 20 5 GFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000886273585 663106599 /nfs/dbraw/zinc/10/65/99/663106599.db2.gz CEQRLKACWNJNHO-ZDUSSCGKSA-N 1 1 379.214 2.801 20 5 GFBDMO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000886273584 663106659 /nfs/dbraw/zinc/10/66/59/663106659.db2.gz CEQRLKACWNJNHO-CYBMUJFWSA-N 1 1 379.214 2.801 20 5 GFBDMO O=[N+]([O-])c1ncccc1C[N@H+]1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000886273584 663106660 /nfs/dbraw/zinc/10/66/60/663106660.db2.gz CEQRLKACWNJNHO-CYBMUJFWSA-N 1 1 379.214 2.801 20 5 GFBDMO C[C@H]([NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000903326846 663782143 /nfs/dbraw/zinc/78/21/43/663782143.db2.gz URZLRRVDHKCJFW-LKFCYVNXSA-N 1 1 391.225 2.966 20 5 GFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000923283196 664627335 /nfs/dbraw/zinc/62/73/35/664627335.db2.gz XFOATEFPWZUNMM-WDEREUQCSA-N 1 1 386.221 2.805 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000928099261 664723043 /nfs/dbraw/zinc/72/30/43/664723043.db2.gz SPEBCKOWFJNJJJ-MAZHCROVSA-N 1 1 381.523 2.771 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000928099261 664723045 /nfs/dbraw/zinc/72/30/45/664723045.db2.gz SPEBCKOWFJNJJJ-MAZHCROVSA-N 1 1 381.523 2.771 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933053379 664848222 /nfs/dbraw/zinc/84/82/22/664848222.db2.gz RDZBUWNNJOSATA-GFCCVEGCSA-N 1 1 385.258 2.863 20 5 GFBDMO COc1cc(C)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164859149 720955122 /nfs/dbraw/zinc/95/51/22/720955122.db2.gz KQRHHJHFITZMIA-CQSZACIVSA-N 1 1 388.472 2.925 20 5 GFBDMO O=[N+]([O-])c1c(Cl)ccnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867118 721049372 /nfs/dbraw/zinc/04/93/72/721049372.db2.gz HYQGGYWQVFCBDN-HUUCEWRRSA-N 1 1 389.843 2.518 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc5ccc([N+](=O)[O-])cc5n4)C[C@@H]3C2)cn1 ZINC001164766370 721108426 /nfs/dbraw/zinc/10/84/26/721108426.db2.gz KTTRFEMQVMUHEG-ROUUACIJSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-] ZINC001164791598 721402436 /nfs/dbraw/zinc/40/24/36/721402436.db2.gz ZPYXMWKVNPGRHQ-VXGBXAGGSA-N 1 1 379.873 2.976 20 5 GFBDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000060843777 551184027 /nfs/dbraw/zinc/18/40/27/551184027.db2.gz CUTAIKJYRQYHGZ-BETUJISGSA-N 1 1 389.905 2.895 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000152915020 551442799 /nfs/dbraw/zinc/44/27/99/551442799.db2.gz NRCFFCGFTYQHQG-WFASDCNBSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@@H](CCNS(=O)(=O)c1ccc([N+](=O)[O-])s1)[N@@H+](C)Cc1ccccc1 ZINC000175333911 552119258 /nfs/dbraw/zinc/11/92/58/552119258.db2.gz ILPCWVRWFYSMBM-ZDUSSCGKSA-N 1 1 383.495 2.845 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177006892 552149269 /nfs/dbraw/zinc/14/92/69/552149269.db2.gz ZXFUQZCBRGRICK-SNVBAGLBSA-N 1 1 381.230 2.928 20 5 GFBDMO C[N@@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209803 552278571 /nfs/dbraw/zinc/27/85/71/552278571.db2.gz ZULDNNHQGAOMRW-LLVKDONJSA-N 1 1 385.214 2.822 20 5 GFBDMO C[N@H+](Cc1ccc(Br)o1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182209803 552278574 /nfs/dbraw/zinc/27/85/74/552278574.db2.gz ZULDNNHQGAOMRW-LLVKDONJSA-N 1 1 385.214 2.822 20 5 GFBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000191866140 552540768 /nfs/dbraw/zinc/54/07/68/552540768.db2.gz LEPGXILRXCPTCT-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000237699022 553080368 /nfs/dbraw/zinc/08/03/68/553080368.db2.gz MDSMZFSXMMIIDY-SECBINFHSA-N 1 1 382.269 2.570 20 5 GFBDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421065 564186041 /nfs/dbraw/zinc/18/60/41/564186041.db2.gz KTAQWWGWKPJMJQ-SMDDNHRTSA-N 1 1 390.221 2.792 20 5 GFBDMO C[C@@H]1C[C@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000277946426 563233658 /nfs/dbraw/zinc/23/36/58/563233658.db2.gz JGIHNSBOMOUFKN-RKDXNWHRSA-N 1 1 376.276 2.974 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000295200326 563234846 /nfs/dbraw/zinc/23/48/46/563234846.db2.gz SKQPYNRFKVCPKT-SKDRFNHKSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000295200326 563234851 /nfs/dbraw/zinc/23/48/51/563234851.db2.gz SKQPYNRFKVCPKT-SKDRFNHKSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868715 563274627 /nfs/dbraw/zinc/27/46/27/563274627.db2.gz XSCJNEFSCVERAB-NXEZZACHSA-N 1 1 388.287 2.975 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000423956409 563365758 /nfs/dbraw/zinc/36/57/58/563365758.db2.gz PKTYVVHZOCKLMO-OAHLLOKOSA-N 1 1 391.225 2.539 20 5 GFBDMO Nc1ccc(N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)c[nH+]1 ZINC000301155833 563394573 /nfs/dbraw/zinc/39/45/73/563394573.db2.gz AFJWEUCIHRSQJP-UHFFFAOYSA-N 1 1 378.230 2.661 20 5 GFBDMO C[C@H]1CCC[N@H+](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301287621 563399448 /nfs/dbraw/zinc/39/94/48/563399448.db2.gz ZRZSVBQQPFQOHM-NSHDSACASA-N 1 1 377.413 2.735 20 5 GFBDMO C[C@H]1CCC[N@@H+](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000301287621 563399451 /nfs/dbraw/zinc/39/94/51/563399451.db2.gz ZRZSVBQQPFQOHM-NSHDSACASA-N 1 1 377.413 2.735 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000425449383 563422979 /nfs/dbraw/zinc/42/29/79/563422979.db2.gz WQFBRRNXNJQKEI-UHFFFAOYSA-N 1 1 383.495 2.581 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000425449383 563422981 /nfs/dbraw/zinc/42/29/81/563422981.db2.gz WQFBRRNXNJQKEI-UHFFFAOYSA-N 1 1 383.495 2.581 20 5 GFBDMO CN(CC[N@@H+](C)C1CC1)c1ccc(I)cc1[N+](=O)[O-] ZINC000302279080 563424290 /nfs/dbraw/zinc/42/42/90/563424290.db2.gz UMTTVSFIYQZATG-UHFFFAOYSA-N 1 1 375.210 2.730 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434757465 563637244 /nfs/dbraw/zinc/63/72/44/563637244.db2.gz NFEVCPZBJAEFQU-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434757465 563637246 /nfs/dbraw/zinc/63/72/46/563637246.db2.gz NFEVCPZBJAEFQU-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363117029 563714937 /nfs/dbraw/zinc/71/49/37/563714937.db2.gz CQPGIYGLPLSJGX-SGIREYDYSA-N 1 1 394.269 2.914 20 5 GFBDMO [NH3+]C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000447251131 563877949 /nfs/dbraw/zinc/87/79/49/563877949.db2.gz SSAJUIZZYDWPAH-LLVKDONJSA-N 1 1 382.269 2.697 20 5 GFBDMO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421065 564186039 /nfs/dbraw/zinc/18/60/39/564186039.db2.gz KTAQWWGWKPJMJQ-SMDDNHRTSA-N 1 1 390.221 2.792 20 5 GFBDMO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000539503417 564221966 /nfs/dbraw/zinc/22/19/66/564221966.db2.gz FEVLHEOHUGWCNY-UHFFFAOYSA-N 1 1 383.495 2.977 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000543680565 564359308 /nfs/dbraw/zinc/35/93/08/564359308.db2.gz VGHJJIILMQSPHJ-OAHLLOKOSA-N 1 1 383.495 2.854 20 5 GFBDMO CC(C)(CN1CCCC1)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000452094548 564390559 /nfs/dbraw/zinc/39/05/59/564390559.db2.gz IVXKNJBVQAEJCY-UHFFFAOYSA-N 1 1 399.289 2.760 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000452113908 564394153 /nfs/dbraw/zinc/39/41/53/564394153.db2.gz IXSNJLYGUAQKTG-ZDUSSCGKSA-N 1 1 399.289 2.710 20 5 GFBDMO Cc1[nH+]ccn1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000513444736 564430609 /nfs/dbraw/zinc/43/06/09/564430609.db2.gz OZCKMVQSIQDWQL-UHFFFAOYSA-N 1 1 381.230 2.611 20 5 GFBDMO Cn1cc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312654 564453171 /nfs/dbraw/zinc/45/31/71/564453171.db2.gz VPVBEIMWSBMIKV-YPMHNXCESA-N 1 1 383.250 2.561 20 5 GFBDMO C[C@@H]1CC[N@@H+](CC[N-]S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000525307554 564697973 /nfs/dbraw/zinc/69/79/73/564697973.db2.gz VWMCLNHSPSYPNT-SECBINFHSA-N 1 1 382.269 2.522 20 5 GFBDMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714843 565571751 /nfs/dbraw/zinc/57/17/51/565571751.db2.gz KDMAYWQHCGDHDW-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000599838815 565704189 /nfs/dbraw/zinc/70/41/89/565704189.db2.gz BLIGXPZXUSJBGQ-NEPJUHHUSA-N 1 1 386.221 2.616 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000601185382 565770990 /nfs/dbraw/zinc/77/09/90/565770990.db2.gz SWFHWCNKWSUNAV-GFCCVEGCSA-N 1 1 395.257 2.824 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000609196300 566032098 /nfs/dbraw/zinc/03/20/98/566032098.db2.gz LDCJXYYJGDUFSW-LBPRGKRZSA-N 1 1 375.878 2.791 20 5 GFBDMO COCC[N@H+]1CCC[C@@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612285764 566156503 /nfs/dbraw/zinc/15/65/03/566156503.db2.gz DMPWAGYTFJWFOU-CYBMUJFWSA-N 1 1 387.889 2.567 20 5 GFBDMO O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000738358700 598675063 /nfs/dbraw/zinc/67/50/63/598675063.db2.gz ODJJYFPNWMQRQV-MRXNPFEDSA-N 1 1 393.451 2.751 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C2CC2)cc1 ZINC000826498258 608173411 /nfs/dbraw/zinc/17/34/11/608173411.db2.gz NLUQIJONIDANAV-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830461637 660658223 /nfs/dbraw/zinc/65/82/23/660658223.db2.gz BYSQTABUZLXRPW-JTQLQIEISA-N 1 1 394.280 2.759 20 5 GFBDMO CN([C@H]1CC[N@H+](C2CC2)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830461637 660658228 /nfs/dbraw/zinc/65/82/28/660658228.db2.gz BYSQTABUZLXRPW-JTQLQIEISA-N 1 1 394.280 2.759 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830529558 660661820 /nfs/dbraw/zinc/66/18/20/660661820.db2.gz LNDMAJDASMBWJR-SNVBAGLBSA-N 1 1 396.296 2.864 20 5 GFBDMO Cc1c(Br)c(NCCCN2CCC[N@H+](C)CC2)ncc1[N+](=O)[O-] ZINC000612442151 652935914 /nfs/dbraw/zinc/93/59/14/652935914.db2.gz OTQPYFVLPFABTH-UHFFFAOYSA-N 1 1 386.294 2.500 20 5 GFBDMO Cc1c(Br)c(NCCC[N@H+]2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000612442151 652935918 /nfs/dbraw/zinc/93/59/18/652935918.db2.gz OTQPYFVLPFABTH-UHFFFAOYSA-N 1 1 386.294 2.500 20 5 GFBDMO Cc1c(Br)c(NCCC[N@@H+]2CCCN(C)CC2)ncc1[N+](=O)[O-] ZINC000612442151 652935922 /nfs/dbraw/zinc/93/59/22/652935922.db2.gz OTQPYFVLPFABTH-UHFFFAOYSA-N 1 1 386.294 2.500 20 5 GFBDMO Cc1sc(S(=O)(=O)N2C[C@@H]([NH+](C)C)Cc3ccccc32)cc1[N+](=O)[O-] ZINC000119175935 655291775 /nfs/dbraw/zinc/29/17/75/655291775.db2.gz FKXNTDLOLNLRLQ-ZDUSSCGKSA-N 1 1 381.479 2.646 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000262206820 655444522 /nfs/dbraw/zinc/44/45/22/655444522.db2.gz LEELBWMDZCREBO-NSHDSACASA-N 1 1 381.841 2.935 20 5 GFBDMO CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768859592 656257055 /nfs/dbraw/zinc/25/70/55/656257055.db2.gz YJPNDUPQRIMPLR-AWEZNQCLSA-N 1 1 381.479 2.551 20 5 GFBDMO CN([C@H]1CC[N@@H+](Cc2ccccc2)C1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768859592 656257063 /nfs/dbraw/zinc/25/70/63/656257063.db2.gz YJPNDUPQRIMPLR-AWEZNQCLSA-N 1 1 381.479 2.551 20 5 GFBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770380001 656317835 /nfs/dbraw/zinc/31/78/35/656317835.db2.gz MLHUUOAKWXJVAD-FZMZJTMJSA-N 1 1 382.258 2.848 20 5 GFBDMO C[N@@H+](CCCCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000841527544 661291346 /nfs/dbraw/zinc/29/13/46/661291346.db2.gz QWKYZEBQCMPXLW-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C[C@@H]1C ZINC000795858359 658861202 /nfs/dbraw/zinc/86/12/02/658861202.db2.gz WLVGWCZIFQRKKG-QWRGUYRKSA-N 1 1 393.868 2.881 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000795864430 658863350 /nfs/dbraw/zinc/86/33/50/658863350.db2.gz CWZPPHBMYIASPH-LLVKDONJSA-N 1 1 393.868 2.882 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000798225681 659084690 /nfs/dbraw/zinc/08/46/90/659084690.db2.gz GXDDAMBRIXLSKP-WDEREUQCSA-N 1 1 393.868 2.786 20 5 GFBDMO Nc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)c[nH+]1 ZINC000798391025 659099148 /nfs/dbraw/zinc/09/91/48/659099148.db2.gz ZGWMHAGCPLIBHE-UHFFFAOYSA-N 1 1 378.230 2.661 20 5 GFBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3c(Br)cccc3[N+](=O)[O-])[C@H]2C1 ZINC000816639345 660163717 /nfs/dbraw/zinc/16/37/17/660163717.db2.gz PBKRWZVORYHUKT-JKSUJKDBSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@]1(Br)C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780575 662215170 /nfs/dbraw/zinc/21/51/70/662215170.db2.gz LKBFKNIVUGOWEL-DZKIICNBSA-N 1 1 383.242 2.886 20 5 GFBDMO C[C@]1(Br)C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780575 662215171 /nfs/dbraw/zinc/21/51/71/662215171.db2.gz LKBFKNIVUGOWEL-DZKIICNBSA-N 1 1 383.242 2.886 20 5 GFBDMO C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000866458044 662474450 /nfs/dbraw/zinc/47/44/50/662474450.db2.gz XMYFGBZMPQJKFB-JQWIXIFHSA-N 1 1 382.258 2.641 20 5 GFBDMO CC1=CC[N@@H+](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000867417783 662548581 /nfs/dbraw/zinc/54/85/81/662548581.db2.gz JCNSGXAKLWFAMO-UHFFFAOYSA-N 1 1 382.258 2.668 20 5 GFBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662104 662784313 /nfs/dbraw/zinc/78/43/13/662784313.db2.gz BQVVRDMHZSGTGD-NEPJUHHUSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662104 662784316 /nfs/dbraw/zinc/78/43/16/662784316.db2.gz BQVVRDMHZSGTGD-NEPJUHHUSA-N 1 1 394.280 2.759 20 5 GFBDMO CC(C)([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(=O)N1CCCC1 ZINC000877493647 662877151 /nfs/dbraw/zinc/87/71/51/662877151.db2.gz NJUMMOLEJUCIEZ-UHFFFAOYSA-N 1 1 376.276 2.909 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000881931847 663010175 /nfs/dbraw/zinc/01/01/75/663010175.db2.gz DGTLUSOEDPSHGP-NEPJUHHUSA-N 1 1 375.878 2.660 20 5 GFBDMO CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000882489895 663029003 /nfs/dbraw/zinc/02/90/03/663029003.db2.gz WKPGTQDNFJCCEK-VIFPVBQESA-N 1 1 376.638 2.835 20 5 GFBDMO Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])CC2 ZINC000919111244 664508438 /nfs/dbraw/zinc/50/84/38/664508438.db2.gz LRGFEYIFNNACAI-GFCCVEGCSA-N 1 1 393.241 2.741 20 5 GFBDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164682705 719707508 /nfs/dbraw/zinc/70/75/08/719707508.db2.gz GOEPIUMCYHNNHW-UHFFFAOYSA-N 1 1 389.503 2.964 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc3ccc([N+](=O)[O-])cc3n1)C2 ZINC001164807618 720082366 /nfs/dbraw/zinc/08/23/66/720082366.db2.gz GCWDAOLVXWHTEM-KKSFZXQISA-N 1 1 397.479 2.723 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164782817 721406490 /nfs/dbraw/zinc/40/64/90/721406490.db2.gz FVFORGWAPXRALU-STQMWFEESA-N 1 1 382.449 2.563 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3N)C[C@@H]21 ZINC001165021518 721822658 /nfs/dbraw/zinc/82/26/58/721822658.db2.gz FXDJYPBDFGTQCY-UCLAIMLFSA-N 1 1 382.468 2.704 20 5 GFBDMO Cc1c(Br)c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000542505504 532773740 /nfs/dbraw/zinc/77/37/40/532773740.db2.gz DNJAUQOZOKOHJH-PHIMTYICSA-N 1 1 387.278 2.972 20 5 GFBDMO Cc1c(Br)c(NC[C@H]2C[N@@H+](CC(C)C)CCO2)ncc1[N+](=O)[O-] ZINC000542507311 532774552 /nfs/dbraw/zinc/77/45/52/532774552.db2.gz OEYYLSHLQHCYBV-LBPRGKRZSA-N 1 1 387.278 2.829 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000359978410 209208708 /nfs/dbraw/zinc/20/87/08/209208708.db2.gz ZTAUQSFCAGYBFF-LSDHHAIUSA-N 1 1 378.812 2.968 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000123288730 551304352 /nfs/dbraw/zinc/30/43/52/551304352.db2.gz WJCIJZKJRAYMFW-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000157276378 551535955 /nfs/dbraw/zinc/53/59/55/551535955.db2.gz JQMLCXAPBCMVLY-ABAIWWIYSA-N 1 1 382.258 2.914 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000164072456 551624304 /nfs/dbraw/zinc/62/43/04/551624304.db2.gz COBJBFIJPIUEHK-OCCSQVGLSA-N 1 1 382.258 2.914 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000173260496 552081460 /nfs/dbraw/zinc/08/14/60/552081460.db2.gz YBNYBUMOSVYPBE-RISCZKNCSA-N 1 1 375.878 2.599 20 5 GFBDMO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)C1 ZINC000173954066 552095704 /nfs/dbraw/zinc/09/57/04/552095704.db2.gz VDGKAGASKLDCAK-ZDUSSCGKSA-N 1 1 389.905 2.909 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000176723699 552144712 /nfs/dbraw/zinc/14/47/12/552144712.db2.gz GFYMQCZNJLFPKH-NEPJUHHUSA-N 1 1 375.878 2.660 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)C1 ZINC000301412582 563402946 /nfs/dbraw/zinc/40/29/46/563402946.db2.gz ZCEJLGVOXNNSCB-AWEZNQCLSA-N 1 1 383.290 2.574 20 5 GFBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425032 563421222 /nfs/dbraw/zinc/42/12/22/563421222.db2.gz SXASKZZZZUXVHW-JSGCOSHPSA-N 1 1 382.258 2.848 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000376116295 563429865 /nfs/dbraw/zinc/42/98/65/563429865.db2.gz QCUXICRNSNCEGC-NXEZZACHSA-N 1 1 388.287 2.975 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805944 563722274 /nfs/dbraw/zinc/72/22/74/563722274.db2.gz RUIYODSOSFJOLP-BXKDBHETSA-N 1 1 396.296 2.862 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000440085113 563736556 /nfs/dbraw/zinc/73/65/56/563736556.db2.gz ZIGZBAQYCZGUOA-NWDGAFQWSA-N 1 1 375.878 2.647 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000366643315 563816667 /nfs/dbraw/zinc/81/66/67/563816667.db2.gz YHGRCHPQWTWFFA-CYBMUJFWSA-N 1 1 382.258 2.976 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000416553679 563847925 /nfs/dbraw/zinc/84/79/25/563847925.db2.gz CQGKEBFQUBAFJW-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)n1 ZINC000368474793 563871623 /nfs/dbraw/zinc/87/16/23/563871623.db2.gz PQDGZLYZHNUZFY-HNNXBMFYSA-N 1 1 395.257 2.924 20 5 GFBDMO Cc1ccc2[nH+]c(Cn3cc([N+](=O)[O-])c(C)c(Br)c3=O)cn2c1 ZINC000541286464 564272746 /nfs/dbraw/zinc/27/27/46/564272746.db2.gz JUORHIRJECEWQN-UHFFFAOYSA-N 1 1 377.198 2.832 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000510439829 564333054 /nfs/dbraw/zinc/33/30/54/564333054.db2.gz BGZTZRPXNBQDKH-UHFFFAOYSA-N 1 1 382.258 2.976 20 5 GFBDMO CC[N@@H+](CCOc1ccc(Br)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000478026024 564394040 /nfs/dbraw/zinc/39/40/40/564394040.db2.gz GAXIPFQPTLYXIE-UHFFFAOYSA-N 1 1 383.246 2.955 20 5 GFBDMO C[N@@H+](CCn1cccn1)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000568330883 564414203 /nfs/dbraw/zinc/41/42/03/564414203.db2.gz CZEYSAXLSQCZSK-UHFFFAOYSA-N 1 1 386.193 2.528 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000516179611 564495854 /nfs/dbraw/zinc/49/58/54/564495854.db2.gz DHJZYUZDDVGWRW-LLVKDONJSA-N 1 1 375.878 2.709 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000462158547 564824907 /nfs/dbraw/zinc/82/49/07/564824907.db2.gz MPMDUHAPILNOOR-MRVPVSSYSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000462158547 564824910 /nfs/dbraw/zinc/82/49/10/564824910.db2.gz MPMDUHAPILNOOR-MRVPVSSYSA-N 1 1 382.269 2.663 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(Br)cc1[N+](=O)[O-] ZINC000556751232 564838314 /nfs/dbraw/zinc/83/83/14/564838314.db2.gz JZERHQAMTFCKQM-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000462684638 564854797 /nfs/dbraw/zinc/85/47/97/564854797.db2.gz UHAZGSRUNZSZEU-SNVBAGLBSA-N 1 1 396.296 2.864 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)cc[nH+]1 ZINC000463868479 564892446 /nfs/dbraw/zinc/89/24/46/564892446.db2.gz DROGGZJZNJEJBW-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)[C@H](C)N1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000593188459 565318550 /nfs/dbraw/zinc/31/85/50/565318550.db2.gz HXHFNSAFYQFFNL-UTUOFQBUSA-N 1 1 384.274 2.839 20 5 GFBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597584063 565565135 /nfs/dbraw/zinc/56/51/35/565565135.db2.gz XDKWDJQXAHTROJ-STQMWFEESA-N 1 1 386.221 2.616 20 5 GFBDMO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822212859 606136205 /nfs/dbraw/zinc/13/62/05/606136205.db2.gz KIQQPDLYRRMUMM-UHFFFAOYSA-N 1 1 393.451 2.796 20 5 GFBDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000820728546 606138540 /nfs/dbraw/zinc/13/85/40/606138540.db2.gz XCJHSXXUXQWYHJ-OAHLLOKOSA-N 1 1 393.451 2.876 20 5 GFBDMO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c2ccsc2S1(=O)=O ZINC000819322769 660254746 /nfs/dbraw/zinc/25/47/46/660254746.db2.gz IYJFVSRBWFYGMN-LKTVYLICSA-N 1 1 382.463 2.587 20 5 GFBDMO O=C1OCCN1C[C@H]1CC[N@@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000824450878 660392178 /nfs/dbraw/zinc/39/21/78/660392178.db2.gz AJADJORYJHQBRG-LBPRGKRZSA-N 1 1 384.230 2.631 20 5 GFBDMO O=C1OCCN1C[C@H]1CC[N@H+](Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000824450878 660392179 /nfs/dbraw/zinc/39/21/79/660392179.db2.gz AJADJORYJHQBRG-LBPRGKRZSA-N 1 1 384.230 2.631 20 5 GFBDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000830584580 660665510 /nfs/dbraw/zinc/66/55/10/660665510.db2.gz UBVIOSHZPXCOQX-UHFFFAOYSA-N 1 1 385.262 2.604 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000125818174 654802883 /nfs/dbraw/zinc/80/28/83/654802883.db2.gz OIEADDKWEQQAEF-HNNXBMFYSA-N 1 1 383.857 2.829 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000173761982 655180414 /nfs/dbraw/zinc/18/04/14/655180414.db2.gz ZZCFKLFWUUDKJZ-JKSUJKDBSA-N 1 1 382.873 2.596 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)c1 ZINC000173761982 655180416 /nfs/dbraw/zinc/18/04/16/655180416.db2.gz ZZCFKLFWUUDKJZ-JKSUJKDBSA-N 1 1 382.873 2.596 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000119762614 655314185 /nfs/dbraw/zinc/31/41/85/655314185.db2.gz YVRHKMZBQLHLQN-KGLIPLIRSA-N 1 1 387.527 2.931 20 5 GFBDMO C[C@@H]1CCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000742424752 655718063 /nfs/dbraw/zinc/71/80/63/655718063.db2.gz DFMZKVOGGMMMJN-SNVBAGLBSA-N 1 1 381.376 2.785 20 5 GFBDMO C[C@@H]1CCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000742424752 655718065 /nfs/dbraw/zinc/71/80/65/655718065.db2.gz DFMZKVOGGMMMJN-SNVBAGLBSA-N 1 1 381.376 2.785 20 5 GFBDMO Cc1cc(N(C)S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc[nH+]1 ZINC000766075860 656159944 /nfs/dbraw/zinc/15/99/44/656159944.db2.gz FHCQWUJMBWULSL-UHFFFAOYSA-N 1 1 386.227 2.886 20 5 GFBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000783702629 657252526 /nfs/dbraw/zinc/25/25/26/657252526.db2.gz XIRYTRRNMZQUGW-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO Cc1ccc(N2CCN(c3ccc(N)[nH+]c3)CC2)c([N+](=O)[O-])c1Br ZINC000787897074 657618615 /nfs/dbraw/zinc/61/86/15/657618615.db2.gz RRWRLVQSGZAMBR-UHFFFAOYSA-N 1 1 392.257 2.970 20 5 GFBDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798169930 659078309 /nfs/dbraw/zinc/07/83/09/659078309.db2.gz GSOZYECJIRGJBR-NSHDSACASA-N 1 1 385.262 2.747 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226738 659086079 /nfs/dbraw/zinc/08/60/79/659086079.db2.gz DROOSTNZODNJRJ-GHMZBOCLSA-N 1 1 393.868 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCS(=O)(=O)CCc2ccccc2)c1 ZINC000800311195 659300347 /nfs/dbraw/zinc/30/03/47/659300347.db2.gz LIHCVPLMSALMMJ-UHFFFAOYSA-N 1 1 382.869 2.995 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CCCC1 ZINC000809815870 659941219 /nfs/dbraw/zinc/94/12/19/659941219.db2.gz VGGZIOQTYLXPFN-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO CCC[N@@H+](CC)C[C@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810120127 659963220 /nfs/dbraw/zinc/96/32/20/659963220.db2.gz HVGCQJXXQVURDC-JTQLQIEISA-N 1 1 381.857 2.786 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000812333007 660024505 /nfs/dbraw/zinc/02/45/05/660024505.db2.gz WIKSLQSLQWCQHH-YPMHNXCESA-N 1 1 382.258 2.689 20 5 GFBDMO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813178282 660046056 /nfs/dbraw/zinc/04/60/56/660046056.db2.gz BOMFNYNDNDZIJY-NSHDSACASA-N 1 1 389.283 2.657 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000849420087 661720749 /nfs/dbraw/zinc/72/07/49/661720749.db2.gz QQAIFWNUNOPJJZ-LLVKDONJSA-N 1 1 375.878 2.708 20 5 GFBDMO O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000856480330 662035557 /nfs/dbraw/zinc/03/55/57/662035557.db2.gz RVNZJMAZTVFIGB-GFCCVEGCSA-N 1 1 397.273 2.604 20 5 GFBDMO O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc([N+](=O)[O-])ncc1Br ZINC000862629434 662295170 /nfs/dbraw/zinc/29/51/70/662295170.db2.gz POVJOCFPKZCHJC-GFCCVEGCSA-N 1 1 397.273 2.889 20 5 GFBDMO O=C1CC[C@@H]([NH+]2CCN(c3c(Cl)c(Cl)ccc3[N+](=O)[O-])CC2)CCN1 ZINC000865860452 662447849 /nfs/dbraw/zinc/44/78/49/662447849.db2.gz IKCAPUDWMZMVEB-LLVKDONJSA-N 1 1 387.267 2.692 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868810487 662620455 /nfs/dbraw/zinc/62/04/55/662620455.db2.gz RNWHTNKGEVXPSF-ZDUSSCGKSA-N 1 1 384.274 2.841 20 5 GFBDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663004 662784272 /nfs/dbraw/zinc/78/42/72/662784272.db2.gz KPKUYNDXXQEUTP-NEPJUHHUSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663004 662784275 /nfs/dbraw/zinc/78/42/75/662784275.db2.gz KPKUYNDXXQEUTP-NEPJUHHUSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879022967 662913571 /nfs/dbraw/zinc/91/35/71/662913571.db2.gz DPLLBOPGMIFXGJ-GWCFXTLKSA-N 1 1 383.246 2.915 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)cnc2c1 ZINC001164722160 720352401 /nfs/dbraw/zinc/35/24/01/720352401.db2.gz FGXZCHJCBDSRQX-MOPGFXCFSA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729053 720373192 /nfs/dbraw/zinc/37/31/92/720373192.db2.gz UWIUFSADPWETHU-RBUKOAKNSA-N 1 1 376.420 2.786 20 5 GFBDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)ccc1[N+](=O)[O-] ZINC001164837891 720509628 /nfs/dbraw/zinc/50/96/28/720509628.db2.gz QLVLKENBPBKETP-ZHALLVOQSA-N 1 1 384.484 2.873 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nc2c1 ZINC001164787513 721396018 /nfs/dbraw/zinc/39/60/18/721396018.db2.gz POGXSVBQXWSURO-STQMWFEESA-N 1 1 382.449 2.563 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164786761 721403860 /nfs/dbraw/zinc/40/38/60/721403860.db2.gz PCUQAWGYWKBMMG-RYUDHWBXSA-N 1 1 379.873 2.976 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c(N)n3)C[C@H]21 ZINC001165024766 721816400 /nfs/dbraw/zinc/81/64/00/721816400.db2.gz KOUXLXASQGYPPN-DJIMGWMZSA-N 1 1 382.468 2.704 20 5 GFBDMO O=c1[nH]cnc2cc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000071952814 212057507 /nfs/dbraw/zinc/05/75/07/212057507.db2.gz LEPXEJQKUSPBQZ-OAHLLOKOSA-N 1 1 379.420 2.908 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)CC[C@@H]21 ZINC000155267316 551495564 /nfs/dbraw/zinc/49/55/64/551495564.db2.gz XRKBWHMZCOEPHM-NHYWBVRUSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000173311970 552082920 /nfs/dbraw/zinc/08/29/20/552082920.db2.gz WPPZNDTZNLLVTI-UHFFFAOYSA-N 1 1 386.861 2.820 20 5 GFBDMO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000173948344 552095882 /nfs/dbraw/zinc/09/58/82/552095882.db2.gz MNDXCXLMMPGQIE-GFCCVEGCSA-N 1 1 375.878 2.601 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)[C@@H]2C1 ZINC000375537946 563408822 /nfs/dbraw/zinc/40/88/22/563408822.db2.gz VOAVQEXADLUERR-QMTHXVAHSA-N 1 1 383.246 2.915 20 5 GFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000330959064 563529192 /nfs/dbraw/zinc/52/91/92/563529192.db2.gz AVZDDWXEXRPMHE-OAHLLOKOSA-N 1 1 399.289 2.568 20 5 GFBDMO COC(=O)[C@@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412068850 563647112 /nfs/dbraw/zinc/64/71/12/563647112.db2.gz GZKWLSGHCBZWJH-NSHDSACASA-N 1 1 378.372 2.952 20 5 GFBDMO COC(=O)[C@@H]1CSCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000412068850 563647114 /nfs/dbraw/zinc/64/71/14/563647114.db2.gz GZKWLSGHCBZWJH-NSHDSACASA-N 1 1 378.372 2.952 20 5 GFBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000290652574 563716962 /nfs/dbraw/zinc/71/69/62/563716962.db2.gz FAQIJYYYWBJQRB-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000290652574 563716964 /nfs/dbraw/zinc/71/69/64/563716964.db2.gz FAQIJYYYWBJQRB-TVQRCGJNSA-N 1 1 394.280 2.616 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000365106055 563773800 /nfs/dbraw/zinc/77/38/00/563773800.db2.gz RWMJPGHFKJUBDO-UHFFFAOYSA-N 1 1 387.508 2.661 20 5 GFBDMO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000444172819 563823523 /nfs/dbraw/zinc/82/35/23/563823523.db2.gz BEAUDXVWNWGIQF-UHFFFAOYSA-N 1 1 384.285 2.910 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000444172819 563823525 /nfs/dbraw/zinc/82/35/25/563823525.db2.gz BEAUDXVWNWGIQF-UHFFFAOYSA-N 1 1 384.285 2.910 20 5 GFBDMO CC(C)[N@H+]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000445799499 563854495 /nfs/dbraw/zinc/85/44/95/563854495.db2.gz OIGUUIQHIUTNSB-UHFFFAOYSA-N 1 1 384.274 2.843 20 5 GFBDMO C[NH+](C)[C@@H](CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000539888356 564231395 /nfs/dbraw/zinc/23/13/95/564231395.db2.gz GROQMACSSHZZGK-CYBMUJFWSA-N 1 1 383.495 2.645 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1O ZINC000565802410 564296472 /nfs/dbraw/zinc/29/64/72/564296472.db2.gz DGLFUPSFUGFOND-ZIAGYGMSSA-N 1 1 390.221 2.935 20 5 GFBDMO Cc1c(Br)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510476798 564334609 /nfs/dbraw/zinc/33/46/09/564334609.db2.gz RMQGQKKQLUUMLS-OTYXRUKQSA-N 1 1 382.258 2.878 20 5 GFBDMO Cc1[nH+]ccn1C[C@H](C)CNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000550624132 564627616 /nfs/dbraw/zinc/62/76/16/564627616.db2.gz JXSODYYKLMXJOO-SNVBAGLBSA-N 1 1 386.861 2.676 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462582268 564850076 /nfs/dbraw/zinc/85/00/76/564850076.db2.gz AVSOIABLOWAVIC-CYBMUJFWSA-N 1 1 387.889 2.791 20 5 GFBDMO CC(C)[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000463237225 564873918 /nfs/dbraw/zinc/87/39/18/564873918.db2.gz UOKQZGCFPFCCJW-GFCCVEGCSA-N 1 1 386.246 2.795 20 5 GFBDMO CC(C)[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCOC1 ZINC000463237225 564873920 /nfs/dbraw/zinc/87/39/20/564873920.db2.gz UOKQZGCFPFCCJW-GFCCVEGCSA-N 1 1 386.246 2.795 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467400987 564962350 /nfs/dbraw/zinc/96/23/50/564962350.db2.gz NCCCPLCJWPVUHP-LBPRGKRZSA-N 1 1 383.495 2.764 20 5 GFBDMO O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000619252711 565333246 /nfs/dbraw/zinc/33/32/46/565333246.db2.gz NULZLPNSXHRIBJ-OLZOCXBDSA-N 1 1 387.864 2.985 20 5 GFBDMO O=C1NCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000594965207 565438681 /nfs/dbraw/zinc/43/86/81/565438681.db2.gz RSPZJUQHTLGSFB-ZDUSSCGKSA-N 1 1 380.198 2.595 20 5 GFBDMO C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000595747564 565490281 /nfs/dbraw/zinc/49/02/81/565490281.db2.gz NFFLFNHTWMQJBP-UHFFFAOYSA-N 1 1 388.205 2.978 20 5 GFBDMO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758941 565491242 /nfs/dbraw/zinc/49/12/42/565491242.db2.gz NNFVIEKHNODXBU-BXUZGUMPSA-N 1 1 388.205 2.668 20 5 GFBDMO C[C@@]12COC[C@H]1C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758941 565491245 /nfs/dbraw/zinc/49/12/45/565491245.db2.gz NNFVIEKHNODXBU-BXUZGUMPSA-N 1 1 388.205 2.668 20 5 GFBDMO C[N@H+]1CCCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600313042 565723291 /nfs/dbraw/zinc/72/32/91/565723291.db2.gz HGZGABKUDWSCMG-GFCCVEGCSA-N 1 1 384.274 2.748 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000827142454 660480742 /nfs/dbraw/zinc/48/07/42/660480742.db2.gz GWESZNZZTZUFLZ-GFCCVEGCSA-N 1 1 399.289 2.850 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000827295942 660487851 /nfs/dbraw/zinc/48/78/51/660487851.db2.gz CISRDMPPWPPXRM-CABZTGNLSA-N 1 1 386.221 2.663 20 5 GFBDMO CC(C)[N@H+]1CCCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000069083988 654972622 /nfs/dbraw/zinc/97/26/22/654972622.db2.gz BZHOTZMKKUJAPY-UHFFFAOYSA-N 1 1 399.289 2.712 20 5 GFBDMO CCNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000102419933 655055003 /nfs/dbraw/zinc/05/50/03/655055003.db2.gz IYZKVPBDLQZKTH-UHFFFAOYSA-N 1 1 382.214 2.843 20 5 GFBDMO NC(=O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1F ZINC000173986728 655188371 /nfs/dbraw/zinc/18/83/71/655188371.db2.gz ZIXWXJUHHFNHJN-OAHLLOKOSA-N 1 1 396.216 2.855 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1Br ZINC000839495091 661087458 /nfs/dbraw/zinc/08/74/58/661087458.db2.gz FDDHYDGWURHJGO-AWEZNQCLSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1Br ZINC000839495091 661087464 /nfs/dbraw/zinc/08/74/64/661087464.db2.gz FDDHYDGWURHJGO-AWEZNQCLSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cccc(CN2CCC[C@H]2C[NH+]2CCOCC2)c1Br ZINC000839495091 661087468 /nfs/dbraw/zinc/08/74/68/661087468.db2.gz FDDHYDGWURHJGO-AWEZNQCLSA-N 1 1 384.274 2.654 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000176717206 655253385 /nfs/dbraw/zinc/25/33/85/655253385.db2.gz BDTMRJDTXLGMNN-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+](CCN1CCOCC1)CC1CC1 ZINC000595808634 655513159 /nfs/dbraw/zinc/51/31/59/655513159.db2.gz OMYDLTNHDPXDJR-UHFFFAOYSA-N 1 1 398.301 2.902 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(c3c(Br)cccc3[N+](=O)[O-])CC2)C1 ZINC000596129658 655514082 /nfs/dbraw/zinc/51/40/82/655514082.db2.gz VXDZFRRBZQPLAH-CYBMUJFWSA-N 1 1 383.290 2.574 20 5 GFBDMO C[N@@H+](CCCCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000840316145 661154036 /nfs/dbraw/zinc/15/40/36/661154036.db2.gz KDPAOMLEBIXKQW-UHFFFAOYSA-N 1 1 377.413 2.877 20 5 GFBDMO CC[N@@H+](CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000726183328 655531819 /nfs/dbraw/zinc/53/18/19/655531819.db2.gz HEWNSIXQRIKANI-UHFFFAOYSA-N 1 1 381.376 2.785 20 5 GFBDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000731997338 655590591 /nfs/dbraw/zinc/59/05/91/655590591.db2.gz JFJLGEADJNGZHD-LLVKDONJSA-N 1 1 377.413 2.733 20 5 GFBDMO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC[N@@H+]1C ZINC000764402451 656109793 /nfs/dbraw/zinc/10/97/93/656109793.db2.gz NAICDRCKUHJRBS-QMMMGPOBSA-N 1 1 376.638 2.787 20 5 GFBDMO C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)CC[N@H+]1C ZINC000764402451 656109796 /nfs/dbraw/zinc/10/97/96/656109796.db2.gz NAICDRCKUHJRBS-QMMMGPOBSA-N 1 1 376.638 2.787 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000770382720 656317985 /nfs/dbraw/zinc/31/79/85/656317985.db2.gz NFUHLLRLMVYOGL-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000770382720 656317989 /nfs/dbraw/zinc/31/79/89/656317989.db2.gz NFUHLLRLMVYOGL-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000775596586 656653449 /nfs/dbraw/zinc/65/34/49/656653449.db2.gz VZXQVPBLJBCDEY-AAEUAGOBSA-N 1 1 389.905 2.955 20 5 GFBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000810118518 659963277 /nfs/dbraw/zinc/96/32/77/659963277.db2.gz WYFVXMOCTGHRPF-GFCCVEGCSA-N 1 1 377.894 2.955 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000842484886 661341731 /nfs/dbraw/zinc/34/17/31/661341731.db2.gz BQUNXDOOOSBURP-HNNXBMFYSA-N 1 1 381.841 2.583 20 5 GFBDMO Cc1ccc(N2CCC([N@H+]3CC[C@@H](O)C3)CC2)c([N+](=O)[O-])c1Br ZINC000853966750 661909271 /nfs/dbraw/zinc/90/92/71/661909271.db2.gz YKXRQZTUSGGBTR-CYBMUJFWSA-N 1 1 384.274 2.701 20 5 GFBDMO C[N@@H+]1CCO[C@@H](CSCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000865370071 662416454 /nfs/dbraw/zinc/41/64/54/662416454.db2.gz NFRQWKLDVAMEOT-LLVKDONJSA-N 1 1 384.845 2.862 20 5 GFBDMO C[N@H+]1CCO[C@@H](CSCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000865370071 662416459 /nfs/dbraw/zinc/41/64/59/662416459.db2.gz NFRQWKLDVAMEOT-LLVKDONJSA-N 1 1 384.845 2.862 20 5 GFBDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866422278 662471976 /nfs/dbraw/zinc/47/19/76/662471976.db2.gz AWVOHYNCBYGWFB-KGLIPLIRSA-N 1 1 396.285 2.985 20 5 GFBDMO C[N@@H+](CCCCNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000868823724 662620978 /nfs/dbraw/zinc/62/09/78/662620978.db2.gz YEKIBNBMRVXOCA-UHFFFAOYSA-N 1 1 384.274 2.890 20 5 GFBDMO CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878426142 662896047 /nfs/dbraw/zinc/89/60/47/662896047.db2.gz HVRUNCXURJCKET-LBPRGKRZSA-N 1 1 399.289 2.888 20 5 GFBDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000881865176 663006838 /nfs/dbraw/zinc/00/68/38/663006838.db2.gz PFNYZAVIPFCJAC-LLVKDONJSA-N 1 1 393.241 2.741 20 5 GFBDMO O=[N+]([O-])c1ncccc1C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000886315305 663107965 /nfs/dbraw/zinc/10/79/65/663107965.db2.gz GAMYSFODYJTBMY-FZNQNYSPSA-N 1 1 378.226 2.892 20 5 GFBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000896138684 663542299 /nfs/dbraw/zinc/54/22/99/663542299.db2.gz SZEGEBWDSQNRNP-VIFPVBQESA-N 1 1 394.230 2.881 20 5 GFBDMO COc1c(Cl)cccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000905643838 663883245 /nfs/dbraw/zinc/88/32/45/663883245.db2.gz NHWNSNAGLCBNPF-UHFFFAOYSA-N 1 1 384.841 2.820 20 5 GFBDMO CCOc1nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC001164653619 719313540 /nfs/dbraw/zinc/31/35/40/719313540.db2.gz YBIRQJRISRJAPU-UHFFFAOYSA-N 1 1 388.472 2.790 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc([N+](=O)[O-])cc(Cl)n1)C2 ZINC001164806793 720071562 /nfs/dbraw/zinc/07/15/62/720071562.db2.gz DGWSPQAFRGJOKD-KSSFIOAISA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808487 720084935 /nfs/dbraw/zinc/08/49/35/720084935.db2.gz HRMDUKUEFNNPDM-KBXCAEBGSA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809064 720106060 /nfs/dbraw/zinc/10/60/60/720106060.db2.gz GNVVAOJTOOKDDH-KKSFZXQISA-N 1 1 397.479 2.723 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818470 720192911 /nfs/dbraw/zinc/19/29/11/720192911.db2.gz SWAFUSXNRQZWBO-KKSFZXQISA-N 1 1 397.479 2.723 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164834721 720510646 /nfs/dbraw/zinc/51/06/46/720510646.db2.gz HGYPYJCBZJIUTL-QXAKKESOSA-N 1 1 384.484 2.873 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767336 721108038 /nfs/dbraw/zinc/10/80/38/721108038.db2.gz MWWSSXLKWRUPDS-HUUCEWRRSA-N 1 1 390.875 2.643 20 5 GFBDMO O=[N+]([O-])c1ccc2ncc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nc2c1 ZINC001164787509 721396086 /nfs/dbraw/zinc/39/60/86/721396086.db2.gz POGXSVBQXWSURO-CHWSQXEVSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1cnc(Cl)nc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164899725 721511034 /nfs/dbraw/zinc/51/10/34/721511034.db2.gz LYGFRUVHIBGWSJ-TZMCWYRMSA-N 1 1 393.806 2.519 20 5 GFBDMO Cc1c([N+](=O)[O-])cc[n+]([O-])c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165027163 721817332 /nfs/dbraw/zinc/81/73/32/721817332.db2.gz SRHWPNINPPOSOA-XKGZKEIXSA-N 1 1 397.479 2.669 20 5 GFBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N)c([N+](=O)[O-])cn4)CC3)C2)cc1 ZINC001164940635 721927073 /nfs/dbraw/zinc/92/70/73/721927073.db2.gz VEPKUYNZXNLPLD-UHFFFAOYSA-N 1 1 397.479 2.752 20 5 GFBDMO Cc1sc(S(=O)(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000125057627 551319483 /nfs/dbraw/zinc/31/94/83/551319483.db2.gz UGICMRYZDYRJFX-UHFFFAOYSA-N 1 1 387.458 2.514 20 5 GFBDMO Cc1sc(S(=O)(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000125057627 551319485 /nfs/dbraw/zinc/31/94/85/551319485.db2.gz UGICMRYZDYRJFX-UHFFFAOYSA-N 1 1 387.458 2.514 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000182664341 552290143 /nfs/dbraw/zinc/29/01/43/552290143.db2.gz XDTGULFKSJZLEL-AAEUAGOBSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1csc([C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000183529125 552311927 /nfs/dbraw/zinc/31/19/27/552311927.db2.gz SVOBBKXRWDJLOU-HNNXBMFYSA-N 1 1 381.479 2.874 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000246204503 553104635 /nfs/dbraw/zinc/10/46/35/553104635.db2.gz FGXBNTFMBSMNRF-SMDDNHRTSA-N 1 1 382.258 2.914 20 5 GFBDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000247438368 553122070 /nfs/dbraw/zinc/12/20/70/553122070.db2.gz RUZUUCKNDOGBJD-IAQYHMDHSA-N 1 1 384.274 2.745 20 5 GFBDMO CCC[N@@H+](CC)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474181585 564268578 /nfs/dbraw/zinc/26/85/78/564268578.db2.gz YELPRMZCEGBVGI-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO C[C@@H]1C[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000567003034 564353263 /nfs/dbraw/zinc/35/32/63/564353263.db2.gz RUCCCEDUEHMQMZ-ZWNOBZJWSA-N 1 1 389.237 2.772 20 5 GFBDMO C[C@@H]1C[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)CCN1C ZINC000567003034 564353266 /nfs/dbraw/zinc/35/32/66/564353266.db2.gz RUCCCEDUEHMQMZ-ZWNOBZJWSA-N 1 1 389.237 2.772 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H]3CO)o2)c(Br)c1 ZINC000370398083 563242694 /nfs/dbraw/zinc/24/26/94/563242694.db2.gz OTXJBKUWYIPWPH-NWDGAFQWSA-N 1 1 397.225 2.545 20 5 GFBDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000420452176 563263632 /nfs/dbraw/zinc/26/36/32/563263632.db2.gz ABYAFRAELOVFRV-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1 ZINC000378358102 563503649 /nfs/dbraw/zinc/50/36/49/563503649.db2.gz YDHHVNXGHNVBGC-OAHLLOKOSA-N 1 1 397.317 2.569 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)[C@H]1CC[C@H](O)CC1 ZINC000289504938 563676681 /nfs/dbraw/zinc/67/66/81/563676681.db2.gz LAMVUONHFRCSKQ-MQMHXKEQSA-N 1 1 390.221 2.935 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1 ZINC000290652565 563717114 /nfs/dbraw/zinc/71/71/14/563717114.db2.gz FAQIJYYYWBJQRB-RNCFNFMXSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@H]2C1 ZINC000290652565 563717117 /nfs/dbraw/zinc/71/71/17/563717117.db2.gz FAQIJYYYWBJQRB-RNCFNFMXSA-N 1 1 394.280 2.616 20 5 GFBDMO CCC[N@H+](CC)CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000474181585 564268574 /nfs/dbraw/zinc/26/85/74/564268574.db2.gz YELPRMZCEGBVGI-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO CC(=O)N1CC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000565219102 564270677 /nfs/dbraw/zinc/27/06/77/564270677.db2.gz REODZKJIPOMHKY-UHFFFAOYSA-N 1 1 394.225 2.938 20 5 GFBDMO Cc1c(Br)c(N2CC[NH+](CC3CCOCC3)CC2)ncc1[N+](=O)[O-] ZINC000543438997 564350309 /nfs/dbraw/zinc/35/03/09/564350309.db2.gz ZDCVWGTZJXCOIH-UHFFFAOYSA-N 1 1 399.289 2.609 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000546179187 564448577 /nfs/dbraw/zinc/44/85/77/564448577.db2.gz VZLVTYFSPGIJEZ-INIZCTEOSA-N 1 1 383.857 2.829 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC000517952045 564544213 /nfs/dbraw/zinc/54/42/13/564544213.db2.gz BHNCJDHTAXGJLG-LLVKDONJSA-N 1 1 390.221 2.794 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CCC[C@@H](CO)CC2)c1 ZINC000517952045 564544215 /nfs/dbraw/zinc/54/42/15/564544215.db2.gz BHNCJDHTAXGJLG-LLVKDONJSA-N 1 1 390.221 2.794 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000462441964 564840207 /nfs/dbraw/zinc/84/02/07/564840207.db2.gz QHGNLZXVIGUWSQ-SECBINFHSA-N 1 1 394.280 2.664 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000462441964 564840213 /nfs/dbraw/zinc/84/02/13/564840213.db2.gz QHGNLZXVIGUWSQ-SECBINFHSA-N 1 1 394.280 2.664 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(Cl)cc1 ZINC000530617362 564888890 /nfs/dbraw/zinc/88/88/90/564888890.db2.gz ZDLXRPNGJVRXPQ-GFCCVEGCSA-N 1 1 389.886 2.891 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000467788586 564972377 /nfs/dbraw/zinc/97/23/77/564972377.db2.gz NFYGSSYYRHRAOF-CYBMUJFWSA-N 1 1 387.889 2.601 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000597857358 565578758 /nfs/dbraw/zinc/57/87/58/565578758.db2.gz FFYKHDXLRAXGHL-ZDUSSCGKSA-N 1 1 384.274 2.889 20 5 GFBDMO COCCn1cc(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)cn1 ZINC000602650722 565859712 /nfs/dbraw/zinc/85/97/12/565859712.db2.gz GPBVIJFIZMPGRB-UHFFFAOYSA-N 1 1 375.248 2.552 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000610135164 566068328 /nfs/dbraw/zinc/06/83/28/566068328.db2.gz LWFGSBSDSAUNPN-AAEUAGOBSA-N 1 1 375.878 2.742 20 5 GFBDMO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738369666 598674919 /nfs/dbraw/zinc/67/49/19/598674919.db2.gz LPPXNLNMLGSVCV-INIZCTEOSA-N 1 1 393.451 2.751 20 5 GFBDMO C[C@@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCCC[C@H]1C ZINC000820705980 599473576 /nfs/dbraw/zinc/47/35/76/599473576.db2.gz XFXDFRCGGDYSDH-OLZOCXBDSA-N 1 1 396.455 2.998 20 5 GFBDMO O=[N+]([O-])c1ccc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1-c1nn[nH]n1 ZINC000826498665 607451119 /nfs/dbraw/zinc/45/11/19/607451119.db2.gz DYEXDHKUHIHDJK-UHFFFAOYSA-N 1 1 397.414 2.626 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500198 607524482 /nfs/dbraw/zinc/52/44/82/607524482.db2.gz OCIQJZMOJFZRJE-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO O=[N+]([O-])c1ccccc1C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000826500198 607524484 /nfs/dbraw/zinc/52/44/84/607524484.db2.gz OCIQJZMOJFZRJE-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000823620655 606703862 /nfs/dbraw/zinc/70/38/62/606703862.db2.gz NSJLIEYBMUFDGE-HNNXBMFYSA-N 1 1 394.439 2.637 20 5 GFBDMO C[C@H]1C[C@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820664509 606716175 /nfs/dbraw/zinc/71/61/75/606716175.db2.gz AZUXKOPIKUBEFS-DZGCQCFKSA-N 1 1 394.439 2.635 20 5 GFBDMO C[N@H+](CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000820482270 660295151 /nfs/dbraw/zinc/29/51/51/660295151.db2.gz ZEVJUIOHENLVPI-LBPRGKRZSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000820482270 660295155 /nfs/dbraw/zinc/29/51/55/660295155.db2.gz ZEVJUIOHENLVPI-LBPRGKRZSA-N 1 1 389.271 2.838 20 5 GFBDMO CC1(C)CCC[N@@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829571986 660601108 /nfs/dbraw/zinc/60/11/08/660601108.db2.gz BDXOCIVWIOPOFQ-UHFFFAOYSA-N 1 1 377.413 2.877 20 5 GFBDMO CC1(C)CCC[N@H+]1CCNc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000829571986 660601112 /nfs/dbraw/zinc/60/11/12/660601112.db2.gz BDXOCIVWIOPOFQ-UHFFFAOYSA-N 1 1 377.413 2.877 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000124528409 654777539 /nfs/dbraw/zinc/77/75/39/654777539.db2.gz WXNMVZQJBPBKRK-OAHLLOKOSA-N 1 1 383.857 2.829 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1 ZINC000113943678 655216187 /nfs/dbraw/zinc/21/61/87/655216187.db2.gz NEMKKDLTXJWIPV-HNNXBMFYSA-N 1 1 383.857 2.829 20 5 GFBDMO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2Br)CC[N@H+]1CC(C)(C)O ZINC000839573879 661092940 /nfs/dbraw/zinc/09/29/40/661092940.db2.gz HLXAGEJFFZABID-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@@H](C)C1 ZINC000246149489 655429310 /nfs/dbraw/zinc/42/93/10/655429310.db2.gz OVTQSXJXBSMVEW-JSGCOSHPSA-N 1 1 389.905 2.907 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[N@H+](C2CCC2)C1 ZINC000575931132 655440234 /nfs/dbraw/zinc/44/02/34/655440234.db2.gz SNIZYURFQBBACU-LBPRGKRZSA-N 1 1 387.889 2.743 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000752247260 655841331 /nfs/dbraw/zinc/84/13/31/655841331.db2.gz NGHCPTHOWMEDSO-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755013949 655878496 /nfs/dbraw/zinc/87/84/96/655878496.db2.gz SVTTTZFZUYPDCX-ZDUSSCGKSA-N 1 1 388.237 2.909 20 5 GFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755013949 655878497 /nfs/dbraw/zinc/87/84/97/655878497.db2.gz SVTTTZFZUYPDCX-ZDUSSCGKSA-N 1 1 388.237 2.909 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766207946 656165175 /nfs/dbraw/zinc/16/51/75/656165175.db2.gz SZFUDCCJTFSCIQ-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000766207946 656165177 /nfs/dbraw/zinc/16/51/77/656165177.db2.gz SZFUDCCJTFSCIQ-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000766206032 656165196 /nfs/dbraw/zinc/16/51/96/656165196.db2.gz CMHWNEGINRFZGF-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000766206032 656165198 /nfs/dbraw/zinc/16/51/98/656165198.db2.gz CMHWNEGINRFZGF-CYBMUJFWSA-N 1 1 387.889 2.852 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000768845133 656255612 /nfs/dbraw/zinc/25/56/12/656255612.db2.gz CZNOQLBTBFFJMS-ZDUSSCGKSA-N 1 1 389.886 2.891 20 5 GFBDMO CN(CC[N@@H+]1CCOC(C)(C)C1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000789764919 657888890 /nfs/dbraw/zinc/88/88/90/657888890.db2.gz LCVMUHIJLCZEQA-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO CN(CC[N@H+]1CCOC(C)(C)C1)Cc1c(Br)cccc1[N+](=O)[O-] ZINC000789764919 657888896 /nfs/dbraw/zinc/88/88/96/657888896.db2.gz LCVMUHIJLCZEQA-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@@H+]1C1CC1 ZINC000791421714 658095037 /nfs/dbraw/zinc/09/50/37/658095037.db2.gz CJBYARFHGMVGFK-IUCAKERBSA-N 1 1 394.280 2.805 20 5 GFBDMO C[C@H]1C[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000791421714 658095043 /nfs/dbraw/zinc/09/50/43/658095043.db2.gz CJBYARFHGMVGFK-IUCAKERBSA-N 1 1 394.280 2.805 20 5 GFBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@H+]1CCC[C@@H](C)C1 ZINC000798160507 659076863 /nfs/dbraw/zinc/07/68/63/659076863.db2.gz KWHPOCMQEWPYOJ-GHMZBOCLSA-N 1 1 385.262 2.603 20 5 GFBDMO COc1ccc(NC(=O)CC[N@@H+]2CCC=C(Br)C2)c([N+](=O)[O-])c1 ZINC000799327867 659182008 /nfs/dbraw/zinc/18/20/08/659182008.db2.gz FQUKYNJIEQODJI-UHFFFAOYSA-N 1 1 384.230 2.917 20 5 GFBDMO COc1ccc(NC(=O)CC[N@H+]2CCC=C(Br)C2)c([N+](=O)[O-])c1 ZINC000799327867 659182010 /nfs/dbraw/zinc/18/20/10/659182010.db2.gz FQUKYNJIEQODJI-UHFFFAOYSA-N 1 1 384.230 2.917 20 5 GFBDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825600 659944337 /nfs/dbraw/zinc/94/43/37/659944337.db2.gz JNRBSPGZICIXQJ-PRHODGIISA-N 1 1 394.280 2.663 20 5 GFBDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825600 659944341 /nfs/dbraw/zinc/94/43/41/659944341.db2.gz JNRBSPGZICIXQJ-PRHODGIISA-N 1 1 394.280 2.663 20 5 GFBDMO CCC[N@@H+](CC)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000810117820 659962984 /nfs/dbraw/zinc/96/29/84/659962984.db2.gz HVGCQJXXQVURDC-SNVBAGLBSA-N 1 1 381.857 2.786 20 5 GFBDMO C[C@H]1CCC[N@H+]1CCNCc1cc(I)cc([N+](=O)[O-])c1 ZINC000810147556 659964715 /nfs/dbraw/zinc/96/47/15/659964715.db2.gz NMTZHQXNVZFBPK-NSHDSACASA-N 1 1 389.237 2.773 20 5 GFBDMO C[C@H]1CCCN1CC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000810147556 659964718 /nfs/dbraw/zinc/96/47/18/659964718.db2.gz NMTZHQXNVZFBPK-NSHDSACASA-N 1 1 389.237 2.773 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000841547733 661296062 /nfs/dbraw/zinc/29/60/62/661296062.db2.gz AHFDMJHYSFHFDI-LBPRGKRZSA-N 1 1 375.878 2.567 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852679344 661871110 /nfs/dbraw/zinc/87/11/10/661871110.db2.gz YYUXLPYKVATPEZ-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2Br)C1 ZINC000852679344 661871111 /nfs/dbraw/zinc/87/11/11/661871111.db2.gz YYUXLPYKVATPEZ-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO CO[C@@H]1C[N@@H+](C)[C@@](C)(COC(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000861351704 662241749 /nfs/dbraw/zinc/24/17/49/662241749.db2.gz VINUWQGXVGEKCL-DZGCQCFKSA-N 1 1 387.230 2.623 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C2 ZINC000868634079 662613005 /nfs/dbraw/zinc/61/30/05/662613005.db2.gz OOSILSFBIDQUJP-KRWDZBQOSA-N 1 1 396.285 2.844 20 5 GFBDMO CCCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C)C1 ZINC000869072700 662628895 /nfs/dbraw/zinc/62/88/95/662628895.db2.gz PZTIAERXBNPDKP-CYBMUJFWSA-N 1 1 384.274 2.843 20 5 GFBDMO COC(=O)C[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCCOC1 ZINC000877407086 662875613 /nfs/dbraw/zinc/87/56/13/662875613.db2.gz YZHUNDRHLSOIEH-CYBMUJFWSA-N 1 1 393.259 2.621 20 5 GFBDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000878426141 662896060 /nfs/dbraw/zinc/89/60/60/662896060.db2.gz HVRUNCXURJCKET-GFCCVEGCSA-N 1 1 399.289 2.888 20 5 GFBDMO CCN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C)C1 ZINC000889718531 663259806 /nfs/dbraw/zinc/25/98/06/663259806.db2.gz FKLSYULVVVQVGO-CYBMUJFWSA-N 1 1 385.262 2.593 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756609 663263792 /nfs/dbraw/zinc/26/37/92/663263792.db2.gz PEPPCDZXZTWPQM-KGLIPLIRSA-N 1 1 388.251 2.573 20 5 GFBDMO O=[N+]([O-])c1c(Br)cc(F)cc1N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000897219744 663595129 /nfs/dbraw/zinc/59/51/29/663595129.db2.gz NOHJSBVHOURSGW-OLZOCXBDSA-N 1 1 388.237 2.532 20 5 GFBDMO O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928085659 664722249 /nfs/dbraw/zinc/72/22/49/664722249.db2.gz JLYBXCSTGLEUBD-DZGCQCFKSA-N 1 1 387.864 2.626 20 5 GFBDMO COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164620461 719059197 /nfs/dbraw/zinc/05/91/97/719059197.db2.gz FFAYVAMSXYDUEN-APWZRJJASA-N 1 1 396.447 2.877 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2 ZINC001164840342 720696558 /nfs/dbraw/zinc/69/65/58/720696558.db2.gz DDLLWDHUSYNZQZ-KRWDZBQOSA-N 1 1 397.479 2.832 20 5 GFBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]2C ZINC001164857025 720943076 /nfs/dbraw/zinc/94/30/76/720943076.db2.gz FPJHBPGSPYKNHX-LBPRGKRZSA-N 1 1 389.416 2.516 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867498 721047928 /nfs/dbraw/zinc/04/79/28/721047928.db2.gz JHZSVLWRNZPLNL-CVEARBPZSA-N 1 1 389.843 2.518 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164761880 721241473 /nfs/dbraw/zinc/24/14/73/721241473.db2.gz JRUBCWSMFKXZFJ-ROUUACIJSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1 ZINC001164793001 721493808 /nfs/dbraw/zinc/49/38/08/721493808.db2.gz YFKAODWTEIWVDJ-UHFFFAOYSA-N 1 1 382.468 2.969 20 5 GFBDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164795675 721527392 /nfs/dbraw/zinc/52/73/92/721527392.db2.gz RFRQVZHWGLEBKU-CMKODMSKSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC001164795675 721527395 /nfs/dbraw/zinc/52/73/95/721527395.db2.gz RFRQVZHWGLEBKU-CMKODMSKSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164912559 721765112 /nfs/dbraw/zinc/76/51/12/721765112.db2.gz ZWKTYBPJIAKLDF-UHFFFAOYSA-N 1 1 394.435 2.876 20 5 GFBDMO Cc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)ncc1[N+](=O)[O-] ZINC001164912559 721765115 /nfs/dbraw/zinc/76/51/15/721765115.db2.gz ZWKTYBPJIAKLDF-UHFFFAOYSA-N 1 1 394.435 2.876 20 5 GFBDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000153973788 551464548 /nfs/dbraw/zinc/46/45/48/551464548.db2.gz ALGKVEQHJPEFAP-DZGCQCFKSA-N 1 1 396.285 2.985 20 5 GFBDMO Cc1c(Br)cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000163838565 551622453 /nfs/dbraw/zinc/62/24/53/551622453.db2.gz WJOLBEBOIQPAKE-NSHDSACASA-N 1 1 382.258 2.880 20 5 GFBDMO C[NH+](C)CCN(Cc1cccs1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000181530170 552260122 /nfs/dbraw/zinc/26/01/22/552260122.db2.gz OPCWJRVSKNADOY-UHFFFAOYSA-N 1 1 389.524 2.690 20 5 GFBDMO O=C(C[N@@H+]1CCSC2(CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000186833055 552398941 /nfs/dbraw/zinc/39/89/41/552398941.db2.gz YMJAJFSHQUFINB-UHFFFAOYSA-N 1 1 385.873 2.785 20 5 GFBDMO O=C(C[N@H+]1CCSC2(CCOCC2)C1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000186833055 552398944 /nfs/dbraw/zinc/39/89/44/552398944.db2.gz YMJAJFSHQUFINB-UHFFFAOYSA-N 1 1 385.873 2.785 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246094017 553102073 /nfs/dbraw/zinc/10/20/73/553102073.db2.gz GXTCOFRACPNJAI-NHYWBVRUSA-N 1 1 389.905 2.907 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000252657511 553150313 /nfs/dbraw/zinc/15/03/13/553150313.db2.gz ZYMQJWXJUVZSRI-TZMCWYRMSA-N 1 1 387.889 2.661 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1cccs1 ZINC000370382288 563241957 /nfs/dbraw/zinc/24/19/57/563241957.db2.gz RNCGACWNYWYNJB-BLLLJJGKSA-N 1 1 381.479 2.628 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)C2)C1 ZINC000297190681 563318941 /nfs/dbraw/zinc/31/89/41/563318941.db2.gz UHBMVXSHOBUKEP-AWEZNQCLSA-N 1 1 394.280 2.618 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363517271 563725185 /nfs/dbraw/zinc/72/51/85/563725185.db2.gz ZOZXNLFHONBVRV-WDEREUQCSA-N 1 1 375.397 2.630 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000448158478 563894751 /nfs/dbraw/zinc/89/47/51/563894751.db2.gz DLFCWKVBUNWIHC-CYBMUJFWSA-N 1 1 389.905 2.895 20 5 GFBDMO C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+](C2CCC2)C1 ZINC000515739899 564487023 /nfs/dbraw/zinc/48/70/23/564487023.db2.gz IQOWFZJIVUTFCF-LBPRGKRZSA-N 1 1 387.889 2.743 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@H]1C ZINC000518658880 564559469 /nfs/dbraw/zinc/55/94/69/564559469.db2.gz ZERAGMALEPVPRU-NEPJUHHUSA-N 1 1 375.878 2.789 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1CN1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000582368705 564843729 /nfs/dbraw/zinc/84/37/29/564843729.db2.gz PMZLWCCPCKGUSH-OAHLLOKOSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595409255 565474372 /nfs/dbraw/zinc/47/43/72/565474372.db2.gz CPXXTWYPADNDSV-CYBMUJFWSA-N 1 1 387.889 2.649 20 5 GFBDMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)C2 ZINC000597714811 565572093 /nfs/dbraw/zinc/57/20/93/565572093.db2.gz JUHMHZHSDVBQHN-KRWDZBQOSA-N 1 1 396.285 2.844 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681894 565696456 /nfs/dbraw/zinc/69/64/56/565696456.db2.gz DMZSPWDVVAIAKH-ZLKJLUDKSA-N 1 1 388.205 2.545 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]3CC[C@@H](O)[C@@H]32)c1 ZINC000599681894 565696458 /nfs/dbraw/zinc/69/64/58/565696458.db2.gz DMZSPWDVVAIAKH-ZLKJLUDKSA-N 1 1 388.205 2.545 20 5 GFBDMO C[N@H+]1CCCC[C@@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000600313043 565723283 /nfs/dbraw/zinc/72/32/83/565723283.db2.gz HGZGABKUDWSCMG-LBPRGKRZSA-N 1 1 384.274 2.748 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C2 ZINC000601185384 565770715 /nfs/dbraw/zinc/77/07/15/565770715.db2.gz SWFHWCNKWSUNAV-LBPRGKRZSA-N 1 1 395.257 2.824 20 5 GFBDMO O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493003 565850971 /nfs/dbraw/zinc/85/09/71/565850971.db2.gz GOGKOTVRORWJTD-CABZTGNLSA-N 1 1 388.287 2.909 20 5 GFBDMO O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)c([N+](=O)[O-])s2)CN1 ZINC000602493003 565850974 /nfs/dbraw/zinc/85/09/74/565850974.db2.gz GOGKOTVRORWJTD-CABZTGNLSA-N 1 1 388.287 2.909 20 5 GFBDMO CC(C)[N@@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCC(=O)N1 ZINC000602695037 565863611 /nfs/dbraw/zinc/86/36/11/565863611.db2.gz VRBCGMXSRGKEFC-SECBINFHSA-N 1 1 376.276 2.908 20 5 GFBDMO CC(C)[N@H+](Cc1cc(Br)c([N+](=O)[O-])s1)C[C@H]1CCC(=O)N1 ZINC000602695037 565863616 /nfs/dbraw/zinc/86/36/16/565863616.db2.gz VRBCGMXSRGKEFC-SECBINFHSA-N 1 1 376.276 2.908 20 5 GFBDMO O=[N+]([O-])c1sc(C[N@@H+](CCOCCO)C2CCC2)cc1Br ZINC000602711531 565865376 /nfs/dbraw/zinc/86/53/76/565865376.db2.gz PSRWBXWHUXXFIQ-UHFFFAOYSA-N 1 1 379.276 2.782 20 5 GFBDMO O=[N+]([O-])c1sc(C[N@H+](CCOCCO)C2CCC2)cc1Br ZINC000602711531 565865380 /nfs/dbraw/zinc/86/53/80/565865380.db2.gz PSRWBXWHUXXFIQ-UHFFFAOYSA-N 1 1 379.276 2.782 20 5 GFBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821597919 599107712 /nfs/dbraw/zinc/10/77/12/599107712.db2.gz LGGIFHKHTPYVFJ-MRXNPFEDSA-N 1 1 393.451 2.733 20 5 GFBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000735859550 598237658 /nfs/dbraw/zinc/23/76/58/598237658.db2.gz WPTRCKUAPNLQPP-UHFFFAOYSA-N 1 1 382.428 2.622 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820705586 599476122 /nfs/dbraw/zinc/47/61/22/599476122.db2.gz VNYSTYYHOXGQPM-GFCCVEGCSA-N 1 1 382.428 2.609 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)cc1 ZINC000826498219 608533028 /nfs/dbraw/zinc/53/30/28/608533028.db2.gz LQPQNYBYKDRKAI-UHFFFAOYSA-N 1 1 390.407 2.587 20 5 GFBDMO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)C2CC2)cc1 ZINC000826498219 608533029 /nfs/dbraw/zinc/53/30/29/608533029.db2.gz LQPQNYBYKDRKAI-UHFFFAOYSA-N 1 1 390.407 2.587 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1Cl ZINC000830435456 660656790 /nfs/dbraw/zinc/65/67/90/660656790.db2.gz TZNIHETXSWPZMU-JTQLQIEISA-N 1 1 394.280 2.664 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000832761840 660798931 /nfs/dbraw/zinc/79/89/31/660798931.db2.gz RVCXUBQVLLSELA-LBPRGKRZSA-N 1 1 375.878 2.660 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000066001327 654892594 /nfs/dbraw/zinc/89/25/94/654892594.db2.gz ATFUHDKAVXFALO-UHFFFAOYSA-N 1 1 387.527 2.933 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000068951226 654970022 /nfs/dbraw/zinc/97/00/22/654970022.db2.gz DLAIADXLYYKIBM-HNNXBMFYSA-N 1 1 394.225 2.552 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(Cc3cccc([N+](=O)[O-])c3Br)CC2)C1 ZINC000839518462 661089709 /nfs/dbraw/zinc/08/97/09/661089709.db2.gz BZCGVZAQSBMZJQ-OAHLLOKOSA-N 1 1 397.317 2.569 20 5 GFBDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000577027576 655456325 /nfs/dbraw/zinc/45/63/25/655456325.db2.gz RELFOPLCQNIINM-GHMZBOCLSA-N 1 1 389.237 2.724 20 5 GFBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000752250542 655841354 /nfs/dbraw/zinc/84/13/54/655841354.db2.gz IORMZPOBHQYVBE-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO CCOC(=O)c1cc([N+](=O)[O-])c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1Br ZINC000784613315 657318994 /nfs/dbraw/zinc/31/89/94/657318994.db2.gz ALAKDBOPNZHRMF-PHIMTYICSA-N 1 1 398.257 2.532 20 5 GFBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000789764028 657888854 /nfs/dbraw/zinc/88/88/54/657888854.db2.gz CFLYLOYCOHCLHI-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[C@@H]1C[N@H+](CCN(C)Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000789764028 657888856 /nfs/dbraw/zinc/88/88/56/657888856.db2.gz CFLYLOYCOHCLHI-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)[N@@H+](C)C1CC1 ZINC000809814526 659941388 /nfs/dbraw/zinc/94/13/88/659941388.db2.gz PFTFKFVSFAPLGB-MRVPVSSYSA-N 1 1 382.269 2.663 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820649 659942735 /nfs/dbraw/zinc/94/27/35/659942735.db2.gz FHFFDENOUDXHMM-LLVKDONJSA-N 1 1 393.868 2.882 20 5 GFBDMO O=C(C[C@@H]1CSCCS1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174470 660045863 /nfs/dbraw/zinc/04/58/63/660045863.db2.gz UHDFIAJXANDOAS-JKSUJKDBSA-N 1 1 382.507 2.951 20 5 GFBDMO O=C(C[C@@H]1CSCCS1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174470 660045868 /nfs/dbraw/zinc/04/58/68/660045868.db2.gz UHDFIAJXANDOAS-JKSUJKDBSA-N 1 1 382.507 2.951 20 5 GFBDMO O=C(C[C@H]1CSCCS1)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174469 660045875 /nfs/dbraw/zinc/04/58/75/660045875.db2.gz UHDFIAJXANDOAS-HOTGVXAUSA-N 1 1 382.507 2.951 20 5 GFBDMO O=C(C[C@H]1CSCCS1)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000813174469 660045879 /nfs/dbraw/zinc/04/58/79/660045879.db2.gz UHDFIAJXANDOAS-HOTGVXAUSA-N 1 1 382.507 2.951 20 5 GFBDMO COCC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000813442621 660054372 /nfs/dbraw/zinc/05/43/72/660054372.db2.gz CZPLCPWGQLWZMH-NSHDSACASA-N 1 1 376.240 2.742 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000849411939 661718493 /nfs/dbraw/zinc/71/84/93/661718493.db2.gz ZGGPDFYPNWXURN-SNVBAGLBSA-N 1 1 393.868 2.786 20 5 GFBDMO C[N@H+]1CCCC[C@@H](CNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000858715489 662120009 /nfs/dbraw/zinc/12/00/09/662120009.db2.gz PDJYCKXHLMZGLR-NSHDSACASA-N 1 1 377.413 2.735 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868849527 662621895 /nfs/dbraw/zinc/62/18/95/662621895.db2.gz KLUXXVRWUKTBPM-LBPRGKRZSA-N 1 1 384.274 2.748 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827212 662837640 /nfs/dbraw/zinc/83/76/40/662837640.db2.gz YBJILFMRYLHTNA-KBPBESRZSA-N 1 1 382.258 2.595 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000930075102 664762124 /nfs/dbraw/zinc/76/21/24/664762124.db2.gz AGQBGTHMVMHXQT-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000930075102 664762125 /nfs/dbraw/zinc/76/21/25/664762125.db2.gz AGQBGTHMVMHXQT-GFCCVEGCSA-N 1 1 380.246 2.861 20 5 GFBDMO CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cnc3ccc([N+](=O)[O-])cc3n1)CC2 ZINC001164649681 719307958 /nfs/dbraw/zinc/30/79/58/719307958.db2.gz VSHCJOXWASTVEY-UHFFFAOYSA-N 1 1 395.467 2.940 20 5 GFBDMO Cc1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1[N+](=O)[O-] ZINC001164840577 720519989 /nfs/dbraw/zinc/51/99/89/720519989.db2.gz WJQFHHVQEYLUIG-RCCFBDPRSA-N 1 1 384.484 2.873 20 5 GFBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839414 720520520 /nfs/dbraw/zinc/52/05/20/720520520.db2.gz UDAWPBMUSJCJQU-BHYGNILZSA-N 1 1 388.447 2.703 20 5 GFBDMO COc1cc(C)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164859141 720956557 /nfs/dbraw/zinc/95/65/57/720956557.db2.gz KQRHHJHFITZMIA-AWEZNQCLSA-N 1 1 388.472 2.925 20 5 GFBDMO O=c1[nH]cnc2cc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c([N+](=O)[O-])cc21 ZINC000071952813 212057672 /nfs/dbraw/zinc/05/76/72/212057672.db2.gz LEPXEJQKUSPBQZ-HNNXBMFYSA-N 1 1 379.420 2.908 20 5 GFBDMO Cc1cc[nH+]c(N2CCN(c3ncc(Br)cc3[N+](=O)[O-])CC2)c1 ZINC000153078329 551446333 /nfs/dbraw/zinc/44/63/33/551446333.db2.gz RKGXIBPKKAXZCX-UHFFFAOYSA-N 1 1 378.230 2.782 20 5 GFBDMO NC(=O)[C@@H]([NH2+]CCNc1ccccc1[N+](=O)[O-])c1cccc(Br)c1 ZINC000179215441 552187437 /nfs/dbraw/zinc/18/74/37/552187437.db2.gz SVCMVYUFFDAQNB-HNNXBMFYSA-N 1 1 393.241 2.585 20 5 GFBDMO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000180347057 552223596 /nfs/dbraw/zinc/22/35/96/552223596.db2.gz VMOVCINVAZUKDR-GFCCVEGCSA-N 1 1 383.495 2.992 20 5 GFBDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000180347057 552223597 /nfs/dbraw/zinc/22/35/97/552223597.db2.gz VMOVCINVAZUKDR-GFCCVEGCSA-N 1 1 383.495 2.992 20 5 GFBDMO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000237108688 553074782 /nfs/dbraw/zinc/07/47/82/553074782.db2.gz REPBLUWCXAIUDO-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246094021 553102173 /nfs/dbraw/zinc/10/21/73/553102173.db2.gz GXTCOFRACPNJAI-XHDPSFHLSA-N 1 1 389.905 2.907 20 5 GFBDMO O=C(c1ccc([N+](=O)[O-])cc1Br)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000262001125 553164109 /nfs/dbraw/zinc/16/41/09/553164109.db2.gz PVXGSEQGQPAFQX-HNNXBMFYSA-N 1 1 391.225 2.539 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCOC[C@@H](O)C3)o2)c(Br)c1 ZINC000294795594 563217107 /nfs/dbraw/zinc/21/71/07/563217107.db2.gz MJVHQCFVDKGLJK-LBPRGKRZSA-N 1 1 397.225 2.810 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCOC[C@@H](O)C3)o2)c(Br)c1 ZINC000294795594 563217109 /nfs/dbraw/zinc/21/71/09/563217109.db2.gz MJVHQCFVDKGLJK-LBPRGKRZSA-N 1 1 397.225 2.810 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1cc([N+](=O)[O-])ccc1Br ZINC000375388554 563402807 /nfs/dbraw/zinc/40/28/07/563402807.db2.gz FURILDYDMCZTJU-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1 ZINC000286337654 563557194 /nfs/dbraw/zinc/55/71/94/563557194.db2.gz RUVLDGSLCAFAEE-INIZCTEOSA-N 1 1 394.269 2.869 20 5 GFBDMO Cn1cc([C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000289610348 563680767 /nfs/dbraw/zinc/68/07/67/563680767.db2.gz UFZSZACRFBISMN-JSGCOSHPSA-N 1 1 385.251 2.843 20 5 GFBDMO Cn1cc([C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000289610348 563680769 /nfs/dbraw/zinc/68/07/69/563680769.db2.gz UFZSZACRFBISMN-JSGCOSHPSA-N 1 1 385.251 2.843 20 5 GFBDMO COCC[N@H+]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291399854 563741782 /nfs/dbraw/zinc/74/17/82/563741782.db2.gz BEOLUWBHXYJQSN-UHFFFAOYSA-N 1 1 376.240 2.696 20 5 GFBDMO Cn1cc[nH+]c1N1CCC(Nc2ncc(Br)cc2[N+](=O)[O-])CC1 ZINC000364600935 563758752 /nfs/dbraw/zinc/75/87/52/563758752.db2.gz FAPGZGFBOIKWEF-UHFFFAOYSA-N 1 1 381.234 2.567 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2ccccc2Br)cc1 ZINC000544597047 564389649 /nfs/dbraw/zinc/38/96/49/564389649.db2.gz KBQVQELXHLVKLE-UHFFFAOYSA-N 1 1 399.266 2.921 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452091088 564391145 /nfs/dbraw/zinc/39/11/45/564391145.db2.gz AXNDKSRMBIBHNV-LBPRGKRZSA-N 1 1 375.878 2.660 20 5 GFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000498556258 564901956 /nfs/dbraw/zinc/90/19/56/564901956.db2.gz WMHIVDOOTJXEQQ-NWDGAFQWSA-N 1 1 384.274 2.841 20 5 GFBDMO CC[N@H+]1C[C@@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@H]1C ZINC000498556261 564901972 /nfs/dbraw/zinc/90/19/72/564901972.db2.gz WMHIVDOOTJXEQQ-VXGBXAGGSA-N 1 1 384.274 2.841 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(CNCC[NH+]2CCCCC2)c1 ZINC000558490892 564904273 /nfs/dbraw/zinc/90/42/73/564904273.db2.gz LGUFLQPEGINYKK-UHFFFAOYSA-N 1 1 389.237 2.775 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595831257 565492298 /nfs/dbraw/zinc/49/22/98/565492298.db2.gz ZPSMYMZVRCXNHW-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000595831257 565492305 /nfs/dbraw/zinc/49/23/05/565492305.db2.gz ZPSMYMZVRCXNHW-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595827435 565492734 /nfs/dbraw/zinc/49/27/34/565492734.db2.gz QACPYVAAUVTPCV-NEPJUHHUSA-N 1 1 388.205 2.668 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC000595827435 565492736 /nfs/dbraw/zinc/49/27/36/565492736.db2.gz QACPYVAAUVTPCV-NEPJUHHUSA-N 1 1 388.205 2.668 20 5 GFBDMO Cc1ccc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598597710 565629024 /nfs/dbraw/zinc/62/90/24/565629024.db2.gz UIBRQSAHOUXPRH-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000599704877 565697325 /nfs/dbraw/zinc/69/73/25/565697325.db2.gz WQYGAZPMUZRFHU-DGCLKSJQSA-N 1 1 382.258 2.914 20 5 GFBDMO Cc1[nH+]c2c(n1CCO)CC[C@@H](Nc1c(Br)cccc1[N+](=O)[O-])C2 ZINC000601183188 565769424 /nfs/dbraw/zinc/76/94/24/565769424.db2.gz BFPZFLCNZJTDFA-LLVKDONJSA-N 1 1 395.257 2.824 20 5 GFBDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821267441 606124280 /nfs/dbraw/zinc/12/42/80/606124280.db2.gz NYVZVSZVGAMCER-CYBMUJFWSA-N 1 1 382.428 2.609 20 5 GFBDMO CC(C)[N@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000824295969 608532470 /nfs/dbraw/zinc/53/24/70/608532470.db2.gz CFZMXAOZLZZBJN-UHFFFAOYSA-N 1 1 392.423 2.833 20 5 GFBDMO CC(C)[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)Cc1ccc([N+](=O)[O-])cc1 ZINC000824295969 608532471 /nfs/dbraw/zinc/53/24/71/608532471.db2.gz CFZMXAOZLZZBJN-UHFFFAOYSA-N 1 1 392.423 2.833 20 5 GFBDMO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2ccsc2S1(=O)=O ZINC000819321693 660254731 /nfs/dbraw/zinc/25/47/31/660254731.db2.gz CDVCSORTBBDLDS-LKTVYLICSA-N 1 1 382.463 2.587 20 5 GFBDMO CC[C@@H](C)[N@@H+](C)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830397822 660652339 /nfs/dbraw/zinc/65/23/39/660652339.db2.gz WYKCUECYIKFYRT-SECBINFHSA-N 1 1 384.285 2.910 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c1Br ZINC000839609444 661095564 /nfs/dbraw/zinc/09/55/64/661095564.db2.gz AWSLDVSTZUKZNU-GUTXKFCHSA-N 1 1 385.258 2.719 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000176723492 655253541 /nfs/dbraw/zinc/25/35/41/655253541.db2.gz OVTQSXJXBSMVEW-OCCSQVGLSA-N 1 1 389.905 2.907 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@@H+]1Cc1ccccc1 ZINC000119969482 655323347 /nfs/dbraw/zinc/32/33/47/655323347.db2.gz SLNHDVBNQUSLSV-TZMCWYRMSA-N 1 1 381.479 2.598 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C[N@H+]1Cc1ccccc1 ZINC000119969482 655323349 /nfs/dbraw/zinc/32/33/49/655323349.db2.gz SLNHDVBNQUSLSV-TZMCWYRMSA-N 1 1 381.479 2.598 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246258550 655429597 /nfs/dbraw/zinc/42/95/97/655429597.db2.gz KQPQDKRUSDXKQO-GXTWGEPZSA-N 1 1 387.889 2.661 20 5 GFBDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(F)(F)F ZINC000265783991 655490549 /nfs/dbraw/zinc/49/05/49/655490549.db2.gz PFQZXIBMXLXJQH-ZDUSSCGKSA-N 1 1 378.738 2.521 20 5 GFBDMO CC[N@@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br)C(C)C ZINC000755007763 655878304 /nfs/dbraw/zinc/87/83/04/655878304.db2.gz LYURBXFXQRPTAX-UHFFFAOYSA-N 1 1 376.226 2.957 20 5 GFBDMO C[N@@H+](CCCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C1CC1 ZINC000841527236 661290643 /nfs/dbraw/zinc/29/06/43/661290643.db2.gz LAUGNWQURDYDAB-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000789765793 657888520 /nfs/dbraw/zinc/88/85/20/657888520.db2.gz SSRKKTRTDKRYFM-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO CC1CC[NH+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000791422431 658096431 /nfs/dbraw/zinc/09/64/31/658096431.db2.gz FVIMOXWEEHROAE-UHFFFAOYSA-N 1 1 396.296 2.912 20 5 GFBDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])ncc2Br)C1 ZINC000798166654 659077833 /nfs/dbraw/zinc/07/78/33/659077833.db2.gz DUOMAVKWVMGKPL-LLVKDONJSA-N 1 1 385.262 2.603 20 5 GFBDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226741 659085946 /nfs/dbraw/zinc/08/59/46/659085946.db2.gz DROOSTNZODNJRJ-WDEREUQCSA-N 1 1 393.868 2.786 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809806234 659939988 /nfs/dbraw/zinc/93/99/88/659939988.db2.gz HJKXNWZTANJUIE-LLVKDONJSA-N 1 1 393.868 2.930 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[N@H+]1CCCC[C@H]1C ZINC000809808384 659940224 /nfs/dbraw/zinc/94/02/24/659940224.db2.gz QZNUFCQXMXBGBM-GHMZBOCLSA-N 1 1 393.868 2.929 20 5 GFBDMO C[N@H+]1C[C@H]2CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3Cl)[C@@H]2C1 ZINC000816952258 660174325 /nfs/dbraw/zinc/17/43/25/660174325.db2.gz GNWNJZNQIZADNZ-PRHODGIISA-N 1 1 388.649 2.787 20 5 GFBDMO O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000855809245 662008818 /nfs/dbraw/zinc/00/88/18/662008818.db2.gz AFHNXDRTSLCPQN-NSHDSACASA-N 1 1 397.273 2.889 20 5 GFBDMO C[C@@]1(Br)C[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780582 662215156 /nfs/dbraw/zinc/21/51/56/662215156.db2.gz LKBFKNIVUGOWEL-SQWLQELKSA-N 1 1 383.242 2.886 20 5 GFBDMO C[C@@]1(Br)C[C@@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780582 662215158 /nfs/dbraw/zinc/21/51/58/662215158.db2.gz LKBFKNIVUGOWEL-SQWLQELKSA-N 1 1 383.242 2.886 20 5 GFBDMO C[N@H+]1CCCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000862790921 662301834 /nfs/dbraw/zinc/30/18/34/662301834.db2.gz BAQPHXTVHLKPLD-SNVBAGLBSA-N 1 1 388.237 2.958 20 5 GFBDMO C[N@H+]1CCCC12CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)CC2 ZINC000867194363 662530018 /nfs/dbraw/zinc/53/00/18/662530018.db2.gz SKNYXUQCONQLJR-UHFFFAOYSA-N 1 1 396.285 2.987 20 5 GFBDMO CN([C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000867423839 662548992 /nfs/dbraw/zinc/54/89/92/662548992.db2.gz INTAAOFNYKCQKP-ZDUSSCGKSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663006 662784120 /nfs/dbraw/zinc/78/41/20/662784120.db2.gz KPKUYNDXXQEUTP-RYUDHWBXSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663006 662784123 /nfs/dbraw/zinc/78/41/23/662784123.db2.gz KPKUYNDXXQEUTP-RYUDHWBXSA-N 1 1 394.280 2.759 20 5 GFBDMO O=C(NCc1ccc(Br)cc1[N+](=O)[O-])N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883134190 663050148 /nfs/dbraw/zinc/05/01/48/663050148.db2.gz REYHXHGHQQFXCN-KBPBESRZSA-N 1 1 397.273 2.783 20 5 GFBDMO CN(C)C(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])[nH]1 ZINC000883287767 663052341 /nfs/dbraw/zinc/05/23/41/663052341.db2.gz DWFCSZSDFWOIOO-UHFFFAOYSA-N 1 1 381.230 2.677 20 5 GFBDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889726887 663261464 /nfs/dbraw/zinc/26/14/64/663261464.db2.gz WNWQTMXMMXFZDS-LBPRGKRZSA-N 1 1 399.289 2.841 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812261 720072537 /nfs/dbraw/zinc/07/25/37/720072537.db2.gz QBGDZHQYHUKYDK-KDOFPFPSSA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nccc(Cl)c1[N+](=O)[O-])C2 ZINC001164812262 720072890 /nfs/dbraw/zinc/07/28/90/720072890.db2.gz QBGDZHQYHUKYDK-KSSFIOAISA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164709661 720095349 /nfs/dbraw/zinc/09/53/49/720095349.db2.gz BZHMPOQQLJYKGD-LJQANCHMSA-N 1 1 397.479 2.892 20 5 GFBDMO Cc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840795 720509977 /nfs/dbraw/zinc/50/99/77/720509977.db2.gz XNJCHMIHDIKMMG-OKZBNKHCSA-N 1 1 384.484 2.873 20 5 GFBDMO Cc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c([N+](=O)[O-])c1 ZINC001164840792 720510100 /nfs/dbraw/zinc/51/01/00/720510100.db2.gz XNJCHMIHDIKMMG-KZNAEPCWSA-N 1 1 384.484 2.873 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164785156 721406625 /nfs/dbraw/zinc/40/66/25/721406625.db2.gz LHCGKDGVTRBCNI-STQMWFEESA-N 1 1 382.449 2.563 20 5 GFBDMO COc1ncnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-] ZINC001165026865 721812379 /nfs/dbraw/zinc/81/23/79/721812379.db2.gz RUUJNSBURIFOKC-UAGQMJEPSA-N 1 1 398.467 2.525 20 5 GFBDMO COc1cnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c([N+](=O)[O-])c1 ZINC001164952010 722017094 /nfs/dbraw/zinc/01/70/94/722017094.db2.gz FXRSYCZUUOPEIL-UHFFFAOYSA-N 1 1 383.452 2.886 20 5 GFBDMO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119511671 551217167 /nfs/dbraw/zinc/21/71/67/551217167.db2.gz BRKJWUJMHKEAQV-GFCCVEGCSA-N 1 1 375.878 2.791 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122468985 551298202 /nfs/dbraw/zinc/29/82/02/551298202.db2.gz QAUUARFCVBDKAR-IUODEOHRSA-N 1 1 387.889 2.661 20 5 GFBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000192686060 552971667 /nfs/dbraw/zinc/97/16/67/552971667.db2.gz PAXCUDZZSMCUJT-HNNXBMFYSA-N 1 1 381.479 2.772 20 5 GFBDMO O=[N+]([O-])c1cncc(I)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000418855345 563228005 /nfs/dbraw/zinc/22/80/05/563228005.db2.gz MHGGCLIAPNZEFH-SECBINFHSA-N 1 1 399.192 2.702 20 5 GFBDMO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)CC[N@H+](C2CC2)C1 ZINC000295286763 563240296 /nfs/dbraw/zinc/24/02/96/563240296.db2.gz IEFQJJQSGYHKMJ-NSHDSACASA-N 1 1 382.258 2.914 20 5 GFBDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868720 563274310 /nfs/dbraw/zinc/27/43/10/563274310.db2.gz XSCJNEFSCVERAB-UWVGGRQHSA-N 1 1 388.287 2.975 20 5 GFBDMO C[C@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000425437093 563422181 /nfs/dbraw/zinc/42/21/81/563422181.db2.gz AQRJCPCILWMIQM-LBPRGKRZSA-N 1 1 386.290 2.634 20 5 GFBDMO C[C@@H]1C[N@@H+](CCN(C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000425476715 563424509 /nfs/dbraw/zinc/42/45/09/563424509.db2.gz LSHUDVWIWGXZGX-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[C@@H]1C[N@H+](CCN(C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000425476715 563424513 /nfs/dbraw/zinc/42/45/13/563424513.db2.gz LSHUDVWIWGXZGX-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[C@@H]1CN(CC[N@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000425476715 563424516 /nfs/dbraw/zinc/42/45/16/563424516.db2.gz LSHUDVWIWGXZGX-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000425476715 563424519 /nfs/dbraw/zinc/42/45/19/563424519.db2.gz LSHUDVWIWGXZGX-BETUJISGSA-N 1 1 386.290 2.898 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc(Br)c3F)C[C@@H]21 ZINC000376729790 563451991 /nfs/dbraw/zinc/45/19/91/563451991.db2.gz STWQBZUJRSBWNJ-RNCFNFMXSA-N 1 1 386.221 2.663 20 5 GFBDMO CCC[N@H+](Cc1ccccc1Br)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000441278078 563757422 /nfs/dbraw/zinc/75/74/22/563757422.db2.gz QNQKJULSGZFKLB-OAHLLOKOSA-N 1 1 397.273 2.827 20 5 GFBDMO CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000293550973 563818234 /nfs/dbraw/zinc/81/82/34/563818234.db2.gz WRJFGWQLSIBYIN-UHFFFAOYSA-N 1 1 377.272 2.515 20 5 GFBDMO CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])CC[NH+](C)C ZINC000293550973 563818235 /nfs/dbraw/zinc/81/82/35/563818235.db2.gz WRJFGWQLSIBYIN-UHFFFAOYSA-N 1 1 377.272 2.515 20 5 GFBDMO C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000294330044 563839056 /nfs/dbraw/zinc/83/90/56/563839056.db2.gz XMCWIFNEGMFZPI-MRXNPFEDSA-N 1 1 382.258 2.915 20 5 GFBDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000579889100 564753092 /nfs/dbraw/zinc/75/30/92/564753092.db2.gz FGPCAFRVOPEKIY-BJHJDKERSA-N 1 1 376.194 2.809 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000462581987 564850296 /nfs/dbraw/zinc/85/02/96/564850296.db2.gz XAFQFTGVFGWCGK-CYBMUJFWSA-N 1 1 387.889 2.791 20 5 GFBDMO C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000463053488 564867856 /nfs/dbraw/zinc/86/78/56/564867856.db2.gz JHTXRSUKBVREDZ-CABZTGNLSA-N 1 1 381.230 2.996 20 5 GFBDMO C[C@H]1CC[N@@H+](CCNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315435 565161737 /nfs/dbraw/zinc/16/17/37/565161737.db2.gz OBURFSJSJHZBSD-NSHDSACASA-N 1 1 389.237 2.631 20 5 GFBDMO C[C@H]1CCN(CC[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000589315435 565161741 /nfs/dbraw/zinc/16/17/41/565161741.db2.gz OBURFSJSJHZBSD-NSHDSACASA-N 1 1 389.237 2.631 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595409257 565474947 /nfs/dbraw/zinc/47/49/47/565474947.db2.gz CPXXTWYPADNDSV-ZDUSSCGKSA-N 1 1 387.889 2.649 20 5 GFBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596111223 565513793 /nfs/dbraw/zinc/51/37/93/565513793.db2.gz YDXPNNADQXGICA-AWEZNQCLSA-N 1 1 399.289 2.712 20 5 GFBDMO C[C@@H]1CN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC[N@H+](C2CC2)C1 ZINC000599979723 565709456 /nfs/dbraw/zinc/70/94/56/565709456.db2.gz WKOSFEIKTUKYTF-NSHDSACASA-N 1 1 382.258 2.914 20 5 GFBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831583035 660713554 /nfs/dbraw/zinc/71/35/54/660713554.db2.gz NXWHSDXHQZGIMH-VIFPVBQESA-N 1 1 384.285 2.909 20 5 GFBDMO Cc1[nH+]ccn1CCCCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000124287987 654773771 /nfs/dbraw/zinc/77/37/71/654773771.db2.gz GOMLTTUYMJGPHT-UHFFFAOYSA-N 1 1 386.861 2.820 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000055591538 654779156 /nfs/dbraw/zinc/77/91/56/654779156.db2.gz NRTNRWZCPJRMGR-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO C[N@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000107909191 655126064 /nfs/dbraw/zinc/12/60/64/655126064.db2.gz VZWPHEWXAUCQFH-UHFFFAOYSA-N 1 1 383.857 2.570 20 5 GFBDMO C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000107909191 655126065 /nfs/dbraw/zinc/12/60/65/655126065.db2.gz VZWPHEWXAUCQFH-UHFFFAOYSA-N 1 1 383.857 2.570 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263010 655165786 /nfs/dbraw/zinc/16/57/86/655165786.db2.gz DKDQKBIQBWZFTF-DGCLKSJQSA-N 1 1 375.878 2.599 20 5 GFBDMO CON(C)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839605388 661095226 /nfs/dbraw/zinc/09/52/26/661095226.db2.gz VRXVWCHVACFGPE-UHFFFAOYSA-N 1 1 386.246 2.589 20 5 GFBDMO CN(Cc1cccc([N+](=O)[O-])c1Br)C(C)(C)C[NH+]1CCOCC1 ZINC000839676796 661099541 /nfs/dbraw/zinc/09/95/41/661099541.db2.gz PTUSBNQZAXSFFN-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO O=C(c1cccc([N+](=O)[O-])c1Br)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365488643 655394491 /nfs/dbraw/zinc/39/44/91/655394491.db2.gz WZQIXIIMFVFFNV-UBHSHLNASA-N 1 1 394.269 2.914 20 5 GFBDMO C[N@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000725827411 655527393 /nfs/dbraw/zinc/52/73/93/655527393.db2.gz TUKWVGUHMYKOHH-UHFFFAOYSA-N 1 1 383.857 2.659 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000725827411 655527396 /nfs/dbraw/zinc/52/73/96/655527396.db2.gz TUKWVGUHMYKOHH-UHFFFAOYSA-N 1 1 383.857 2.659 20 5 GFBDMO C[NH+](C)CCOc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000840915567 661206610 /nfs/dbraw/zinc/20/66/10/661206610.db2.gz RAKVZAZCYWDPSP-UHFFFAOYSA-N 1 1 389.430 2.537 20 5 GFBDMO O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770379999 656317788 /nfs/dbraw/zinc/31/77/88/656317788.db2.gz MLHUUOAKWXJVAD-BXUZGUMPSA-N 1 1 382.258 2.848 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000771730416 656360690 /nfs/dbraw/zinc/36/06/90/656360690.db2.gz KIMHWLFHLPSVNT-AWEZNQCLSA-N 1 1 387.458 2.685 20 5 GFBDMO CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000796204164 658902085 /nfs/dbraw/zinc/90/20/85/658902085.db2.gz QVCRIUOEAOCOLW-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809817368 659941674 /nfs/dbraw/zinc/94/16/74/659941674.db2.gz YIWZBOJIRQDPOF-UHFFFAOYSA-N 1 1 384.285 2.912 20 5 GFBDMO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813178281 660046002 /nfs/dbraw/zinc/04/60/02/660046002.db2.gz BOMFNYNDNDZIJY-LLVKDONJSA-N 1 1 389.283 2.657 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000815020266 660102554 /nfs/dbraw/zinc/10/25/54/660102554.db2.gz WAUZTDLLGJESGQ-QWRGUYRKSA-N 1 1 393.868 2.881 20 5 GFBDMO C[C@@]1(Br)C[C@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780581 662215183 /nfs/dbraw/zinc/21/51/83/662215183.db2.gz LKBFKNIVUGOWEL-OFQRWUPVSA-N 1 1 383.242 2.886 20 5 GFBDMO C[C@@]1(Br)C[C@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780581 662215185 /nfs/dbraw/zinc/21/51/85/662215185.db2.gz LKBFKNIVUGOWEL-OFQRWUPVSA-N 1 1 383.242 2.886 20 5 GFBDMO C[C@H]1C[C@H](N(C)C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000866048975 662458356 /nfs/dbraw/zinc/45/83/56/662458356.db2.gz DQYWDQLUGJPTCV-WCQYABFASA-N 1 1 384.274 2.841 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000867806672 662577699 /nfs/dbraw/zinc/57/76/99/662577699.db2.gz HJLURSCTWVCTKR-MWLCHTKSSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000874836274 662837949 /nfs/dbraw/zinc/83/79/49/662837949.db2.gz DYOLIJLWYQLEGV-CABCVRRESA-N 1 1 382.258 2.595 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1Br ZINC000880580953 662962872 /nfs/dbraw/zinc/96/28/72/662962872.db2.gz SWRSWRKDSARKRH-ZDUSSCGKSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c1Br ZINC000880580953 662962873 /nfs/dbraw/zinc/96/28/73/662962873.db2.gz SWRSWRKDSARKRH-ZDUSSCGKSA-N 1 1 385.258 2.721 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C ZINC000882005450 663013301 /nfs/dbraw/zinc/01/33/01/663013301.db2.gz AQLYQDNERCBNJB-UHFFFAOYSA-N 1 1 386.861 2.772 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725907 663261000 /nfs/dbraw/zinc/26/10/00/663261000.db2.gz RGLVTIYCOOPLJN-SMDDNHRTSA-N 1 1 399.289 2.839 20 5 GFBDMO O=[N+]([O-])c1nn(CN2CCC[N@@H+](Cc3ccccc3)CC2)cc1Br ZINC000917613629 664487294 /nfs/dbraw/zinc/48/72/94/664487294.db2.gz LVNRLZUVAOGIQS-UHFFFAOYSA-N 1 1 394.273 2.719 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931059735 664784433 /nfs/dbraw/zinc/78/44/33/664784433.db2.gz PTSOIIXSLICOCF-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931059735 664784435 /nfs/dbraw/zinc/78/44/35/664784435.db2.gz PTSOIIXSLICOCF-LBPRGKRZSA-N 1 1 382.258 2.802 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933054220 664848283 /nfs/dbraw/zinc/84/82/83/664848283.db2.gz HCXIQBIIYZDAEJ-CQSZACIVSA-N 1 1 385.258 2.863 20 5 GFBDMO O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001164624372 719081213 /nfs/dbraw/zinc/08/12/13/719081213.db2.gz LKUBNAYIWWUZFL-WBVHZDCISA-N 1 1 388.855 2.982 20 5 GFBDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC001164839417 720520323 /nfs/dbraw/zinc/52/03/23/720520323.db2.gz UDAWPBMUSJCJQU-XIRDDKMYSA-N 1 1 388.447 2.703 20 5 GFBDMO Cc1ncc([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164844924 720684623 /nfs/dbraw/zinc/68/46/23/720684623.db2.gz WJOSTGJKNGFAHC-GOSISDBHSA-N 1 1 397.479 2.953 20 5 GFBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2 ZINC001164875556 721325002 /nfs/dbraw/zinc/32/50/02/721325002.db2.gz FXBHAOBUKFYYEK-UHFFFAOYSA-N 1 1 389.790 2.823 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164795848 721528410 /nfs/dbraw/zinc/52/84/10/721528410.db2.gz TVZHMWGGJWJYEE-CEXWTWQISA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164795848 721528413 /nfs/dbraw/zinc/52/84/13/721528413.db2.gz TVZHMWGGJWJYEE-CEXWTWQISA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806751 721560305 /nfs/dbraw/zinc/56/03/05/721560305.db2.gz ROTVJYSFHGQMEY-HBFSDRIKSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1 ZINC001164806751 721560308 /nfs/dbraw/zinc/56/03/08/721560308.db2.gz ROTVJYSFHGQMEY-HBFSDRIKSA-N 1 1 397.479 2.870 20 5 GFBDMO C[N@H+]1CC[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1 ZINC000151622587 551418245 /nfs/dbraw/zinc/41/82/45/551418245.db2.gz VKSDICAHNBROGP-QMMMGPOBSA-N 1 1 376.638 2.692 20 5 GFBDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152574202 551435973 /nfs/dbraw/zinc/43/59/73/551435973.db2.gz KIFTYLCMZHSEJL-HNNXBMFYSA-N 1 1 384.274 2.698 20 5 GFBDMO CCCC[N@@H+](C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000163356860 551619011 /nfs/dbraw/zinc/61/90/11/551619011.db2.gz NRRHRWSYTWAKNO-UHFFFAOYSA-N 1 1 383.392 2.624 20 5 GFBDMO CN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000171049017 551645287 /nfs/dbraw/zinc/64/52/87/551645287.db2.gz DLFFZQKDXVOWNT-UHFFFAOYSA-N 1 1 382.214 2.795 20 5 GFBDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182637331 552289489 /nfs/dbraw/zinc/28/94/89/552289489.db2.gz RQCJUZWNFWYIBE-CYBMUJFWSA-N 1 1 387.889 2.567 20 5 GFBDMO Cc1cc(N2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000191572851 552532020 /nfs/dbraw/zinc/53/20/20/552532020.db2.gz HKBAOPKSOZKZLG-CYBMUJFWSA-N 1 1 384.274 2.824 20 5 GFBDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000246117857 553103028 /nfs/dbraw/zinc/10/30/28/553103028.db2.gz ALGKVEQHJPEFAP-ZFWWWQNUSA-N 1 1 396.285 2.985 20 5 GFBDMO O=[N+]([O-])c1cccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)c1 ZINC000262270096 553168506 /nfs/dbraw/zinc/16/85/06/553168506.db2.gz KGOWZLYIBRONFT-MRXNPFEDSA-N 1 1 381.841 2.583 20 5 GFBDMO O=C(Nc1nncs1)C1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000370703503 563253089 /nfs/dbraw/zinc/25/30/89/563253089.db2.gz XSVMCBGTWBQDSE-UHFFFAOYSA-N 1 1 381.845 2.950 20 5 GFBDMO CC[N@@H+]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295754455 563261041 /nfs/dbraw/zinc/26/10/41/563261041.db2.gz RAKASDULQHQWEJ-UHFFFAOYSA-N 1 1 382.269 2.618 20 5 GFBDMO CC[N@H+]1CCCN(S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000295754455 563261044 /nfs/dbraw/zinc/26/10/44/563261044.db2.gz RAKASDULQHQWEJ-UHFFFAOYSA-N 1 1 382.269 2.618 20 5 GFBDMO CC1CC[NH+](CCNc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 ZINC000301226016 563397102 /nfs/dbraw/zinc/39/71/02/563397102.db2.gz DTOADAHJWVNCDM-UHFFFAOYSA-N 1 1 377.413 2.735 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(I)cc2[N+](=O)[O-])C1 ZINC000301567905 563407571 /nfs/dbraw/zinc/40/75/71/563407571.db2.gz WBWSELFKZBDTKD-LLVKDONJSA-N 1 1 389.237 2.977 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285538955 563525844 /nfs/dbraw/zinc/52/58/44/563525844.db2.gz HUPVPQXJWQMBGL-ABAIWWIYSA-N 1 1 382.258 2.832 20 5 GFBDMO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000433006180 563600465 /nfs/dbraw/zinc/60/04/65/563600465.db2.gz GBAGZUPKDWCTTJ-JTQLQIEISA-N 1 1 394.229 2.827 20 5 GFBDMO CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000438833738 563711885 /nfs/dbraw/zinc/71/18/85/563711885.db2.gz IRAGXXUNUIHDBI-INIZCTEOSA-N 1 1 397.273 2.825 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363647277 563729517 /nfs/dbraw/zinc/72/95/17/563729517.db2.gz UHGPQPBOSMKXST-PJODQICGSA-N 1 1 394.269 2.914 20 5 GFBDMO CNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000291787458 563758650 /nfs/dbraw/zinc/75/86/50/563758650.db2.gz VRSNSTJFLOTSLH-VIFPVBQESA-N 1 1 382.214 2.841 20 5 GFBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000364920826 563768881 /nfs/dbraw/zinc/76/88/81/563768881.db2.gz SIUFVAQBJMUXEB-UHFFFAOYSA-N 1 1 381.479 2.599 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000294330038 563838834 /nfs/dbraw/zinc/83/88/34/563838834.db2.gz XMCWIFNEGMFZPI-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000505512694 564185045 /nfs/dbraw/zinc/18/50/45/564185045.db2.gz CDMDTYKQTAZLGK-KRWDZBQOSA-N 1 1 396.285 2.844 20 5 GFBDMO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421062 564186118 /nfs/dbraw/zinc/18/61/18/564186118.db2.gz KTAQWWGWKPJMJQ-BXUZGUMPSA-N 1 1 390.221 2.792 20 5 GFBDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000449421062 564186119 /nfs/dbraw/zinc/18/61/19/564186119.db2.gz KTAQWWGWKPJMJQ-BXUZGUMPSA-N 1 1 390.221 2.792 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000564504409 564236618 /nfs/dbraw/zinc/23/66/18/564236618.db2.gz KCVIYXAEOFMVMF-RYUDHWBXSA-N 1 1 375.878 2.742 20 5 GFBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000475836013 564322048 /nfs/dbraw/zinc/32/20/48/564322048.db2.gz NNZKBYMIAUIZGD-CQSZACIVSA-N 1 1 382.258 2.595 20 5 GFBDMO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCn1cc(Br)cn1 ZINC000573041334 564621137 /nfs/dbraw/zinc/62/11/37/564621137.db2.gz JGADEXSCVHOCCW-UHFFFAOYSA-N 1 1 396.245 2.514 20 5 GFBDMO Cc1cc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)nc(C)n1 ZINC000576674101 564717237 /nfs/dbraw/zinc/71/72/37/564717237.db2.gz WBGYHUFEXRMBPF-UHFFFAOYSA-N 1 1 398.204 2.896 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356507 564835605 /nfs/dbraw/zinc/83/56/05/564835605.db2.gz IAEWUKGDNUHUIW-SKDRFNHKSA-N 1 1 396.296 2.862 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000462568089 564848456 /nfs/dbraw/zinc/84/84/56/564848456.db2.gz XRPDUWRSFQSREN-CQSZACIVSA-N 1 1 387.889 2.791 20 5 GFBDMO CC[N@H+]1C[C@H](C)N(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[C@@H]1C ZINC000498556259 564901995 /nfs/dbraw/zinc/90/19/95/564901995.db2.gz WMHIVDOOTJXEQQ-RYUDHWBXSA-N 1 1 384.274 2.841 20 5 GFBDMO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533348677 564961273 /nfs/dbraw/zinc/96/12/73/564961273.db2.gz QDDYQTNLUJLKEK-UHFFFAOYSA-N 1 1 395.257 2.886 20 5 GFBDMO CN(C)[C@@]1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCSC1 ZINC000602563136 565854945 /nfs/dbraw/zinc/85/49/45/565854945.db2.gz FJUILXKLJQVXKC-GFCCVEGCSA-N 1 1 380.333 2.946 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@H](O)C[C@H](O)C3)o2)c(Br)c1 ZINC000611276787 566124584 /nfs/dbraw/zinc/12/45/84/566124584.db2.gz KMGOYULRSODNOQ-TXEJJXNPSA-N 1 1 397.225 2.545 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@@H]1CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824261548 607736351 /nfs/dbraw/zinc/73/63/51/607736351.db2.gz MFWSVWHRIRVQMN-CQSZACIVSA-N 1 1 396.455 2.855 20 5 GFBDMO CN(c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000821618899 606043866 /nfs/dbraw/zinc/04/38/66/606043866.db2.gz ADYPIVHLSOPGFG-QGZVFWFLSA-N 1 1 393.451 2.876 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000272471263 655113845 /nfs/dbraw/zinc/11/38/45/655113845.db2.gz RWIPDDRJBPBJMI-HZMBPMFUSA-N 1 1 383.246 2.915 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cs1 ZINC000119520695 655305705 /nfs/dbraw/zinc/30/57/05/655305705.db2.gz RFSBBFCUOGFCQE-CQSZACIVSA-N 1 1 381.479 2.599 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000119520695 655305707 /nfs/dbraw/zinc/30/57/07/655305707.db2.gz RFSBBFCUOGFCQE-CQSZACIVSA-N 1 1 381.479 2.599 20 5 GFBDMO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000742411526 655717975 /nfs/dbraw/zinc/71/79/75/655717975.db2.gz HABLXCGGHAMDLY-VHSXEESVSA-N 1 1 381.376 2.783 20 5 GFBDMO C[C@H]1C[C@H](Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000742411526 655717976 /nfs/dbraw/zinc/71/79/76/655717976.db2.gz HABLXCGGHAMDLY-VHSXEESVSA-N 1 1 381.376 2.783 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000840950283 661216689 /nfs/dbraw/zinc/21/66/89/661216689.db2.gz GQQZKHPSRPDDSS-JTQLQIEISA-N 1 1 386.861 2.676 20 5 GFBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2c(Br)cccc2[N+](=O)[O-])CN1 ZINC000770380005 656317822 /nfs/dbraw/zinc/31/78/22/656317822.db2.gz MLHUUOAKWXJVAD-SMDDNHRTSA-N 1 1 382.258 2.848 20 5 GFBDMO CC[N@@H+](C[C@@H]1CCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795430527 658817903 /nfs/dbraw/zinc/81/79/03/658817903.db2.gz ZMHUUJJNYOIDMP-NSHDSACASA-N 1 1 398.257 2.629 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C1CCCC1 ZINC000795821514 658854535 /nfs/dbraw/zinc/85/45/35/658854535.db2.gz AOQHKKQGZJLUCU-UHFFFAOYSA-N 1 1 379.841 2.540 20 5 GFBDMO Cc1ccc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c([N+](=O)[O-])c1Br ZINC000804635383 659663047 /nfs/dbraw/zinc/66/30/47/659663047.db2.gz XEVXOBYSZMREGK-LBPRGKRZSA-N 1 1 386.290 2.947 20 5 GFBDMO C[NH+]1CCN(CCCCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000813408634 660053557 /nfs/dbraw/zinc/05/35/57/660053557.db2.gz APMJHDYJKDNLEL-UHFFFAOYSA-N 1 1 389.283 2.659 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000815065453 660108713 /nfs/dbraw/zinc/10/87/13/660108713.db2.gz DHEBLXPLYGPKCJ-MRXNPFEDSA-N 1 1 387.889 2.663 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877692152 662882013 /nfs/dbraw/zinc/88/20/13/662882013.db2.gz UOKRVSJFDBTUPK-UHFFFAOYSA-N 1 1 387.274 2.704 20 5 GFBDMO COCC[N@H+]1CCC[C@@H](NC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)C1 ZINC000896211628 663545430 /nfs/dbraw/zinc/54/54/30/663545430.db2.gz VWZAAUSDAQZKSH-SECBINFHSA-N 1 1 394.230 2.881 20 5 GFBDMO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncc(Br)cn2)n1 ZINC000903321221 663781657 /nfs/dbraw/zinc/78/16/57/663781657.db2.gz ZHCAVAFGEODHMU-RYUDHWBXSA-N 1 1 381.234 2.617 20 5 GFBDMO O=C1NCCN1CC1CC[NH+](Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000933575256 664869558 /nfs/dbraw/zinc/86/95/58/664869558.db2.gz CZPCMZQCPHUHMD-UHFFFAOYSA-N 1 1 397.273 2.595 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000935571467 664970828 /nfs/dbraw/zinc/97/08/28/664970828.db2.gz FNKNIUNSEBAWEG-UHFFFAOYSA-N 1 1 396.245 2.563 20 5 GFBDMO COC(=O)c1cnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164621112 719069339 /nfs/dbraw/zinc/06/93/39/719069339.db2.gz HGKLXUIUTASPCB-LPHOPBHVSA-N 1 1 396.447 2.877 20 5 GFBDMO Cc1nc(C[N@H+]2CCCC23CCN(c2ccc([N+](=O)[O-])c(N)n2)CC3)cs1 ZINC001164694025 719810098 /nfs/dbraw/zinc/81/00/98/719810098.db2.gz UAYKRJAOIPXXRU-UHFFFAOYSA-N 1 1 388.497 2.972 20 5 GFBDMO O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164721787 720374273 /nfs/dbraw/zinc/37/42/73/720374273.db2.gz BAPLPAKWXOVEEU-RTBURBONSA-N 1 1 376.420 2.786 20 5 GFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)n1 ZINC001164856117 720936580 /nfs/dbraw/zinc/93/65/80/720936580.db2.gz AIWARKCLHQITFF-NSHDSACASA-N 1 1 393.879 2.965 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc5ccccc5cc4[N+](=O)[O-])C[C@H]3C2)cn1 ZINC001164771879 721167809 /nfs/dbraw/zinc/16/78/09/721167809.db2.gz RQOOPGXPRLZDGS-QZTJIDSGSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164805388 721560353 /nfs/dbraw/zinc/56/03/53/721560353.db2.gz NDYHZINFVMQZSF-YZGWKJHDSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1c(C)c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-] ZINC001164805388 721560357 /nfs/dbraw/zinc/56/03/57/721560357.db2.gz NDYHZINFVMQZSF-YZGWKJHDSA-N 1 1 397.479 2.870 20 5 GFBDMO Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C ZINC000045810022 551148525 /nfs/dbraw/zinc/14/85/25/551148525.db2.gz RYORRWDZWOLNMN-OAHLLOKOSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1cccc(NCCNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH+]1 ZINC000120973389 551223713 /nfs/dbraw/zinc/22/37/13/551223713.db2.gz URAFPBWTBFERPD-UHFFFAOYSA-N 1 1 393.241 2.832 20 5 GFBDMO CC[NH+](CC)[C@H](CNS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1)c1ccco1 ZINC000123376802 551305908 /nfs/dbraw/zinc/30/59/08/551305908.db2.gz IFIPYMAEWDSSQU-CYBMUJFWSA-N 1 1 387.483 2.919 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000164085736 551624253 /nfs/dbraw/zinc/62/42/53/551624253.db2.gz FGXBNTFMBSMNRF-BXUZGUMPSA-N 1 1 382.258 2.914 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182071201 552274397 /nfs/dbraw/zinc/27/43/97/552274397.db2.gz UHDUDGLIQCEIKP-CYBMUJFWSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182071201 552274398 /nfs/dbraw/zinc/27/43/98/552274398.db2.gz UHDUDGLIQCEIKP-CYBMUJFWSA-N 1 1 375.878 2.542 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)C1 ZINC000182539071 552287320 /nfs/dbraw/zinc/28/73/20/552287320.db2.gz UHTYCQWPPDPOBY-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO O=[N+]([O-])c1cc(I)ccc1NCC[NH+]1CCSCC1 ZINC000226230190 553060997 /nfs/dbraw/zinc/06/09/97/553060997.db2.gz AAJVJSNMWBDSHU-UHFFFAOYSA-N 1 1 393.250 2.660 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000245681102 553094892 /nfs/dbraw/zinc/09/48/92/553094892.db2.gz KKWAVDSSWDFQTL-XHDPSFHLSA-N 1 1 382.258 2.914 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc([N+](=O)[O-])cc2Br)C1 ZINC000246899242 553114999 /nfs/dbraw/zinc/11/49/99/553114999.db2.gz JQMLCXAPBCMVLY-XHDPSFHLSA-N 1 1 382.258 2.914 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000247710360 553125137 /nfs/dbraw/zinc/12/51/37/553125137.db2.gz ZZCFKLFWUUDKJZ-CVEARBPZSA-N 1 1 382.873 2.596 20 5 GFBDMO O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)c1 ZINC000247710360 553125139 /nfs/dbraw/zinc/12/51/39/553125139.db2.gz ZZCFKLFWUUDKJZ-CVEARBPZSA-N 1 1 382.873 2.596 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000369538672 563216157 /nfs/dbraw/zinc/21/61/57/563216157.db2.gz DMFWFSAWDWGKIQ-QMTHXVAHSA-N 1 1 387.508 2.689 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000375113853 563391027 /nfs/dbraw/zinc/39/10/27/563391027.db2.gz OMYLBUQHSJJPOA-UHFFFAOYSA-N 1 1 384.845 2.568 20 5 GFBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000301373786 563401463 /nfs/dbraw/zinc/40/14/63/563401463.db2.gz USEYCFTZLWFPRI-HNNXBMFYSA-N 1 1 397.317 2.964 20 5 GFBDMO CCN1CC[NH+]([C@@H]2CCN(Cc3ccc(Br)cc3[N+](=O)[O-])C2)CC1 ZINC000425410447 563420623 /nfs/dbraw/zinc/42/06/23/563420623.db2.gz XGGKZSDSGQYZIF-MRXNPFEDSA-N 1 1 397.317 2.569 20 5 GFBDMO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CN1CCOCC1 ZINC000425471845 563423965 /nfs/dbraw/zinc/42/39/65/563423965.db2.gz IISRDZZYUSUANW-UHFFFAOYSA-N 1 1 386.290 2.900 20 5 GFBDMO C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Br)c([N+](=O)[O-])c3)CC2)C1 ZINC000378358101 563503889 /nfs/dbraw/zinc/50/38/89/563503889.db2.gz YDHHVNXGHNVBGC-HNNXBMFYSA-N 1 1 397.317 2.569 20 5 GFBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289086142 563667874 /nfs/dbraw/zinc/66/78/74/563667874.db2.gz HXZJWZZXMKAXDZ-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289086142 563667879 /nfs/dbraw/zinc/66/78/79/563667879.db2.gz HXZJWZZXMKAXDZ-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290805948 563721931 /nfs/dbraw/zinc/72/19/31/563721931.db2.gz RUIYODSOSFJOLP-JOYOIKCWSA-N 1 1 396.296 2.862 20 5 GFBDMO CCC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000440833230 563751223 /nfs/dbraw/zinc/75/12/23/563751223.db2.gz NOZDEFWADNFIBS-SNVBAGLBSA-N 1 1 382.269 2.664 20 5 GFBDMO C[N@H+]1CCN(CCNC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1(C)C ZINC000291691962 563754197 /nfs/dbraw/zinc/75/41/97/563754197.db2.gz OFOBWUSVBOSATF-UHFFFAOYSA-N 1 1 389.283 2.657 20 5 GFBDMO Nc1nccc([C@@H]2CCC[N@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000367212076 563836188 /nfs/dbraw/zinc/83/61/88/563836188.db2.gz HGOMLZHMHRLZJJ-GFCCVEGCSA-N 1 1 392.257 2.939 20 5 GFBDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(Br)c([N+](=O)[O-])c3)C2)n1 ZINC000367212076 563836190 /nfs/dbraw/zinc/83/61/90/563836190.db2.gz HGOMLZHMHRLZJJ-GFCCVEGCSA-N 1 1 392.257 2.939 20 5 GFBDMO C[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+](C2CC2)C1 ZINC000452177535 564397770 /nfs/dbraw/zinc/39/77/70/564397770.db2.gz XQJMVIPHUKMESZ-GFCCVEGCSA-N 1 1 396.285 2.843 20 5 GFBDMO CC(C)[C@H]1CN(C(=O)Cc2ccc([N+](=O)[O-])cc2Br)CC[N@H+]1C ZINC000489345931 564736861 /nfs/dbraw/zinc/73/68/61/564736861.db2.gz GTCZHADNZUMIJI-OAHLLOKOSA-N 1 1 384.274 2.698 20 5 GFBDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000554946261 564779033 /nfs/dbraw/zinc/77/90/33/564779033.db2.gz IEBWGLHWXRKDRF-JTQLQIEISA-N 1 1 378.210 2.792 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462356504 564835126 /nfs/dbraw/zinc/83/51/26/564835126.db2.gz IAEWUKGDNUHUIW-BXKDBHETSA-N 1 1 396.296 2.862 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000467394560 564961611 /nfs/dbraw/zinc/96/16/11/564961611.db2.gz PPIIEXJWNXEZID-MBNYWOFBSA-N 1 1 387.527 2.991 20 5 GFBDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000467784204 564972310 /nfs/dbraw/zinc/97/23/10/564972310.db2.gz LFLQXXKSGAAUHD-ZDUSSCGKSA-N 1 1 387.889 2.601 20 5 GFBDMO Cc1nn(C)c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)c1[N+](=O)[O-] ZINC000468186737 564979869 /nfs/dbraw/zinc/97/98/69/564979869.db2.gz CFLRXCBMQSIYNF-UHFFFAOYSA-N 1 1 396.245 2.713 20 5 GFBDMO CC(C)[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C[C@@H](C)O ZINC000562033615 565016313 /nfs/dbraw/zinc/01/63/13/565016313.db2.gz DEFKHTUXBRLFFY-SNVBAGLBSA-N 1 1 378.210 2.791 20 5 GFBDMO COc1ccc(Br)cc1C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000535624496 565017358 /nfs/dbraw/zinc/01/73/58/565017358.db2.gz VALGOVGMJZENDA-UHFFFAOYSA-N 1 1 396.241 2.660 20 5 GFBDMO COc1ccc(Br)cc1C[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000535624496 565017362 /nfs/dbraw/zinc/01/73/62/565017362.db2.gz VALGOVGMJZENDA-UHFFFAOYSA-N 1 1 396.241 2.660 20 5 GFBDMO C[NH+](C)C1(CNCc2cc(I)cc([N+](=O)[O-])c2)CCC1 ZINC000589317733 565161372 /nfs/dbraw/zinc/16/13/72/565161372.db2.gz FYGMHQPJTNLGPR-UHFFFAOYSA-N 1 1 389.237 2.773 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966032 565877190 /nfs/dbraw/zinc/87/71/90/565877190.db2.gz VDNHCVJPGSQVHI-UHFFFAOYSA-N 1 1 387.274 2.704 20 5 GFBDMO COc1ccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1-c1nn[nH]n1 ZINC000826193675 607517751 /nfs/dbraw/zinc/51/77/51/607517751.db2.gz LIBDAGMYCIMBCQ-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607583 606850775 /nfs/dbraw/zinc/85/07/75/606850775.db2.gz VCJCGIQPVZPBNB-MRXNPFEDSA-N 1 1 388.815 2.594 20 5 GFBDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821607583 606850777 /nfs/dbraw/zinc/85/07/77/606850777.db2.gz VCJCGIQPVZPBNB-MRXNPFEDSA-N 1 1 388.815 2.594 20 5 GFBDMO CC(C)c1[nH+]ccn1CCNC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000825600316 660434818 /nfs/dbraw/zinc/43/48/18/660434818.db2.gz GQUFJLVWGCUCMX-UHFFFAOYSA-N 1 1 382.218 2.502 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+](CCO)CCCO)o2)c(Br)c1 ZINC000093324002 655018241 /nfs/dbraw/zinc/01/82/41/655018241.db2.gz SDXBZAFDQXJEIB-UHFFFAOYSA-N 1 1 399.241 2.794 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3Br)[C@@H]2C1 ZINC000272571729 655116459 /nfs/dbraw/zinc/11/64/59/655116459.db2.gz FTNBBBMRBDPUHU-NOZJJQNGSA-N 1 1 386.221 2.663 20 5 GFBDMO Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000119331548 655299242 /nfs/dbraw/zinc/29/92/42/655299242.db2.gz PVGFPFWBHFXMEG-AWEZNQCLSA-N 1 1 383.495 2.854 20 5 GFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC=C(Br)C1 ZINC000281535100 655334301 /nfs/dbraw/zinc/33/43/01/655334301.db2.gz ASFGMBKTYOVUBS-UHFFFAOYSA-N 1 1 384.230 2.917 20 5 GFBDMO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(Br)C1 ZINC000281535100 655334305 /nfs/dbraw/zinc/33/43/05/655334305.db2.gz ASFGMBKTYOVUBS-UHFFFAOYSA-N 1 1 384.230 2.917 20 5 GFBDMO C[N@H+]1CCCC[C@@H]1CN1CCN(c2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596124138 655513980 /nfs/dbraw/zinc/51/39/80/655513980.db2.gz UQTBNNRAKJCLBR-CQSZACIVSA-N 1 1 397.317 2.964 20 5 GFBDMO C[N@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCSC1 ZINC000840393962 661160625 /nfs/dbraw/zinc/16/06/25/661160625.db2.gz BLAXJPNBPLHLOI-LLVKDONJSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1cccc([N+](=O)[O-])c1Br)[C@@H]1CCSC1 ZINC000840393962 661160626 /nfs/dbraw/zinc/16/06/26/661160626.db2.gz BLAXJPNBPLHLOI-LLVKDONJSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)C1 ZINC000743376884 655728275 /nfs/dbraw/zinc/72/82/75/655728275.db2.gz NHUCHYQHVBKUJP-CQSZACIVSA-N 1 1 394.273 2.718 20 5 GFBDMO CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754635020 655870605 /nfs/dbraw/zinc/87/06/05/655870605.db2.gz FGTNQVGXVVTPMB-VIFPVBQESA-N 1 1 376.226 2.957 20 5 GFBDMO CCc1ccc([C@@H](CNS(=O)(=O)c2csc([N+](=O)[O-])c2)[NH+](C)C)cc1 ZINC000768793914 656251492 /nfs/dbraw/zinc/25/14/92/656251492.db2.gz MTXHNLYGDONZNQ-OAHLLOKOSA-N 1 1 383.495 2.800 20 5 GFBDMO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421095 658095133 /nfs/dbraw/zinc/09/51/33/658095133.db2.gz GBKQUZWCVYZPMG-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO CN([C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791421095 658095140 /nfs/dbraw/zinc/09/51/40/658095140.db2.gz GBKQUZWCVYZPMG-SECBINFHSA-N 1 1 382.269 2.616 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798226739 659085864 /nfs/dbraw/zinc/08/58/64/659085864.db2.gz DROOSTNZODNJRJ-MNOVXSKESA-N 1 1 393.868 2.786 20 5 GFBDMO C[NH+](C)C1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)CC1 ZINC000817146630 660183426 /nfs/dbraw/zinc/18/34/26/660183426.db2.gz IYORLSFVXOYHLU-UHFFFAOYSA-N 1 1 379.841 2.538 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000849419787 661720509 /nfs/dbraw/zinc/72/05/09/661720509.db2.gz OXOONJOTDROCCT-VIFPVBQESA-N 1 1 379.841 2.538 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+](CCN2CCOCC2)CC2CC2)c1Br ZINC000852634523 661869175 /nfs/dbraw/zinc/86/91/75/661869175.db2.gz HMDQOMLFOAFFEP-UHFFFAOYSA-N 1 1 398.301 2.902 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCN2CCOCC2)CC2CC2)c1Br ZINC000852634523 661869176 /nfs/dbraw/zinc/86/91/76/661869176.db2.gz HMDQOMLFOAFFEP-UHFFFAOYSA-N 1 1 398.301 2.902 20 5 GFBDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNc1cccc(Br)c1[N+](=O)[O-] ZINC000856727393 662038960 /nfs/dbraw/zinc/03/89/60/662038960.db2.gz LXQXYAJQVFLYQU-CQSZACIVSA-N 1 1 399.289 2.712 20 5 GFBDMO CN1CCC([N@H+]2CC[C@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000856731481 662039545 /nfs/dbraw/zinc/03/95/45/662039545.db2.gz PYUSYGFZJUAQOG-LBPRGKRZSA-N 1 1 383.290 2.938 20 5 GFBDMO C[NH+]1CCC(N2CC[C@H](Nc3cccc(Br)c3[N+](=O)[O-])C2)CC1 ZINC000856731481 662039548 /nfs/dbraw/zinc/03/95/48/662039548.db2.gz PYUSYGFZJUAQOG-LBPRGKRZSA-N 1 1 383.290 2.938 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@@H]21 ZINC000866709933 662491211 /nfs/dbraw/zinc/49/12/11/662491211.db2.gz NMFVMGWDIVRYMS-HIFRSBDPSA-N 1 1 396.285 2.843 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@@H]21 ZINC000867806670 662577736 /nfs/dbraw/zinc/57/77/36/662577736.db2.gz HJLURSCTWVCTKR-KOLCDFICSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000868572519 662610358 /nfs/dbraw/zinc/61/03/58/662610358.db2.gz SHFXAAQZRJKDOC-KRWDZBQOSA-N 1 1 396.285 2.844 20 5 GFBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C(C)(C)C ZINC000880612319 662964068 /nfs/dbraw/zinc/96/40/68/662964068.db2.gz IERODRCKAFOQAA-LBPRGKRZSA-N 1 1 385.262 2.555 20 5 GFBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@H]1C(C)(C)C ZINC000880612319 662964069 /nfs/dbraw/zinc/96/40/69/662964069.db2.gz IERODRCKAFOQAA-LBPRGKRZSA-N 1 1 385.262 2.555 20 5 GFBDMO CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000886598035 663114333 /nfs/dbraw/zinc/11/43/33/663114333.db2.gz RZSNSWXYTWXDHP-LLVKDONJSA-N 1 1 385.262 2.555 20 5 GFBDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000886598035 663114336 /nfs/dbraw/zinc/11/43/36/663114336.db2.gz RZSNSWXYTWXDHP-LLVKDONJSA-N 1 1 385.262 2.555 20 5 GFBDMO C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000889726943 663261304 /nfs/dbraw/zinc/26/13/04/663261304.db2.gz YQXVLFPBSGBACH-BXUZGUMPSA-N 1 1 399.289 2.981 20 5 GFBDMO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1Br ZINC000933055918 664848475 /nfs/dbraw/zinc/84/84/75/664848475.db2.gz PSBABTXGAVWOEP-ZDUSSCGKSA-N 1 1 385.258 2.863 20 5 GFBDMO O=C1NCCN1CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Br)CC1 ZINC000933576637 664869555 /nfs/dbraw/zinc/86/95/55/664869555.db2.gz OSYNLYNDJXPMLV-UHFFFAOYSA-N 1 1 397.273 2.595 20 5 GFBDMO COC(=O)c1cnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c([N+](=O)[O-])c1 ZINC001164621106 719069244 /nfs/dbraw/zinc/06/92/44/719069244.db2.gz HGKLXUIUTASPCB-APWZRJJASA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818465 720193587 /nfs/dbraw/zinc/19/35/87/720193587.db2.gz SWAFUSXNRQZWBO-IERDGZPVSA-N 1 1 397.479 2.723 20 5 GFBDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]2C ZINC001164857024 720944081 /nfs/dbraw/zinc/94/40/81/720944081.db2.gz FPJHBPGSPYKNHX-GFCCVEGCSA-N 1 1 389.416 2.516 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nccc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1 ZINC001164763231 721183807 /nfs/dbraw/zinc/18/38/07/721183807.db2.gz DUEDFZDBPZUBJK-ROUUACIJSA-N 1 1 392.463 2.835 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c21 ZINC001164788005 721434995 /nfs/dbraw/zinc/43/49/95/721434995.db2.gz RRCMMHYJWADUEJ-STQMWFEESA-N 1 1 382.449 2.563 20 5 GFBDMO Cc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)ncc1[N+](=O)[O-] ZINC001164796689 721503421 /nfs/dbraw/zinc/50/34/21/721503421.db2.gz WAKZHBQXZQMZLD-UHFFFAOYSA-N 1 1 382.468 2.969 20 5 GFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901324 721520402 /nfs/dbraw/zinc/52/04/02/721520402.db2.gz WOPRPYVDAPMYNN-ZBFHGGJFSA-N 1 1 376.363 2.610 20 5 GFBDMO O=[N+]([O-])c1cc(F)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901323 721520468 /nfs/dbraw/zinc/52/04/68/721520468.db2.gz WOPRPYVDAPMYNN-HOCLYGCPSA-N 1 1 376.363 2.610 20 5 GFBDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(N)c([N+](=O)[O-])cn3)C[C@@H]21 ZINC001165025519 721815853 /nfs/dbraw/zinc/81/58/53/721815853.db2.gz NDFSJVCPKLZUTH-UWWQBHOKSA-N 1 1 382.468 2.704 20 5 GFBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)ncc4[N+](=O)[O-])CC3)C2)cc1 ZINC001164940440 721925174 /nfs/dbraw/zinc/92/51/74/721925174.db2.gz QJHZWJKPGSACHL-UHFFFAOYSA-N 1 1 397.479 2.873 20 5 GFBDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154009695 551465601 /nfs/dbraw/zinc/46/56/01/551465601.db2.gz HXLRURUZLWQVHE-CQSZACIVSA-N 1 1 384.274 2.890 20 5 GFBDMO CC(C)[N@@H+]1C[C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000155695205 551505760 /nfs/dbraw/zinc/50/57/60/551505760.db2.gz RUZUUCKNDOGBJD-NHYWBVRUSA-N 1 1 384.274 2.745 20 5 GFBDMO C[C@@H]1CCC[N@@H+](CCCCNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])C1 ZINC000179569555 552196729 /nfs/dbraw/zinc/19/67/29/552196729.db2.gz QBZLJLVFGHSOKV-GFCCVEGCSA-N 1 1 375.516 2.984 20 5 GFBDMO Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000183558583 552312755 /nfs/dbraw/zinc/31/27/55/552312755.db2.gz VIHAKEHIBDCSBU-UHFFFAOYSA-N 1 1 383.857 2.625 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)[C@H](C)C1 ZINC000183728174 552318066 /nfs/dbraw/zinc/31/80/66/552318066.db2.gz GJPAXFJOENSPDA-OLZOCXBDSA-N 1 1 389.905 2.907 20 5 GFBDMO C[C@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000277946422 563233644 /nfs/dbraw/zinc/23/36/44/563233644.db2.gz JGIHNSBOMOUFKN-IUCAKERBSA-N 1 1 376.276 2.974 20 5 GFBDMO C[C@@H]1C[C@@H](N(C)C(=O)c2sc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000277946412 563233655 /nfs/dbraw/zinc/23/36/55/563233655.db2.gz JGIHNSBOMOUFKN-BDAKNGLRSA-N 1 1 376.276 2.974 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000284294319 563469471 /nfs/dbraw/zinc/46/94/71/563469471.db2.gz IYTNAOOATCCKNW-NEPJUHHUSA-N 1 1 382.258 2.974 20 5 GFBDMO CC[N@@H+]1C[C@@H](C)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)[C@@H](C)C1 ZINC000331356652 563547096 /nfs/dbraw/zinc/54/70/96/563547096.db2.gz SENCRHBRBNHWRS-TXEJJXNPSA-N 1 1 399.289 2.710 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292741996 563794138 /nfs/dbraw/zinc/79/41/38/563794138.db2.gz HJBYKSZSRKQYEP-MRXNPFEDSA-N 1 1 387.889 2.663 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)C ZINC000444166528 563823601 /nfs/dbraw/zinc/82/36/01/563823601.db2.gz JITROCUQQSYUOI-UHFFFAOYSA-N 1 1 383.392 2.622 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C2)C1 ZINC000294378454 563840330 /nfs/dbraw/zinc/84/03/30/563840330.db2.gz ZVWFUNKZVFALCV-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO O=C1CC[C@@H]([NH+]2CCN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])CC2)CCN1 ZINC000450891999 564254422 /nfs/dbraw/zinc/25/44/22/564254422.db2.gz MGLQMRLMIJJURC-GFCCVEGCSA-N 1 1 387.267 2.692 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000518658881 564559508 /nfs/dbraw/zinc/55/95/08/564559508.db2.gz ZERAGMALEPVPRU-NWDGAFQWSA-N 1 1 375.878 2.789 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486603980 564658665 /nfs/dbraw/zinc/65/86/65/564658665.db2.gz KTPQFLOPHXQLEH-NOZJJQNGSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000486603980 564658669 /nfs/dbraw/zinc/65/86/69/564658669.db2.gz KTPQFLOPHXQLEH-NOZJJQNGSA-N 1 1 394.280 2.616 20 5 GFBDMO Cc1cc(C)c(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000493684577 564809770 /nfs/dbraw/zinc/80/97/70/564809770.db2.gz REMGCDVONBFOBP-HNNXBMFYSA-N 1 1 383.495 2.854 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000582844289 564864464 /nfs/dbraw/zinc/86/44/64/564864464.db2.gz DTHMSVOIHDCLKP-OAHLLOKOSA-N 1 1 391.225 2.539 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000467066078 564954275 /nfs/dbraw/zinc/95/42/75/564954275.db2.gz ULUDSIZEZZIJEQ-GFCCVEGCSA-N 1 1 383.495 2.764 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000584543631 565086739 /nfs/dbraw/zinc/08/67/39/565086739.db2.gz SLHHHULFKYLXTN-GFCCVEGCSA-N 1 1 382.258 2.974 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000595412272 565474720 /nfs/dbraw/zinc/47/47/20/565474720.db2.gz XKKYZJVHXPOKLG-CYBMUJFWSA-N 1 1 387.889 2.649 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602470165 565849630 /nfs/dbraw/zinc/84/96/30/565849630.db2.gz WVHBWOFTEOOPGU-UHFFFAOYSA-N 1 1 392.319 2.697 20 5 GFBDMO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000609620261 566047371 /nfs/dbraw/zinc/04/73/71/566047371.db2.gz YRMQTJSCQHIUSB-HNNXBMFYSA-N 1 1 397.317 2.962 20 5 GFBDMO CN(c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000609620261 566047374 /nfs/dbraw/zinc/04/73/74/566047374.db2.gz YRMQTJSCQHIUSB-HNNXBMFYSA-N 1 1 397.317 2.962 20 5 GFBDMO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263218 566073986 /nfs/dbraw/zinc/07/39/86/566073986.db2.gz AWTRJLBNMJJKDJ-VIFPVBQESA-N 1 1 382.269 2.522 20 5 GFBDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000610263218 566073989 /nfs/dbraw/zinc/07/39/89/566073989.db2.gz AWTRJLBNMJJKDJ-VIFPVBQESA-N 1 1 382.269 2.522 20 5 GFBDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597675 599107777 /nfs/dbraw/zinc/10/77/77/599107777.db2.gz CEECNKWYIHMEIM-MRXNPFEDSA-N 1 1 393.451 2.733 20 5 GFBDMO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826499078 608464508 /nfs/dbraw/zinc/46/45/08/608464508.db2.gz VAXWIMLLMMFGOR-UHFFFAOYSA-N 1 1 392.419 2.943 20 5 GFBDMO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2ccsc2S1(=O)=O ZINC000819321695 660254704 /nfs/dbraw/zinc/25/47/04/660254704.db2.gz CDVCSORTBBDLDS-NZVBXONLSA-N 1 1 382.463 2.587 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1Cl ZINC000830002433 660629327 /nfs/dbraw/zinc/62/93/27/660629327.db2.gz KDUPTIGFECWDMO-MNOVXSKESA-N 1 1 394.280 2.807 20 5 GFBDMO C[C@@H]1C[C@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000266283427 654868889 /nfs/dbraw/zinc/86/88/89/654868889.db2.gz UTWMUTAXTZJQIS-GHMZBOCLSA-N 1 1 377.413 2.510 20 5 GFBDMO C[C@@H]1C[C@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000266283427 654868893 /nfs/dbraw/zinc/86/88/93/654868893.db2.gz UTWMUTAXTZJQIS-GHMZBOCLSA-N 1 1 377.413 2.510 20 5 GFBDMO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1F ZINC000131449347 654907435 /nfs/dbraw/zinc/90/74/35/654907435.db2.gz AALJKLHLPFYQRE-UHFFFAOYSA-N 1 1 384.205 2.790 20 5 GFBDMO C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cc(Br)ccc1F ZINC000131449347 654907439 /nfs/dbraw/zinc/90/74/39/654907439.db2.gz AALJKLHLPFYQRE-UHFFFAOYSA-N 1 1 384.205 2.790 20 5 GFBDMO O=c1c(Br)cn(Cc2cn3cc(Cl)ccc3[nH+]2)cc1[N+](=O)[O-] ZINC000132432435 654937591 /nfs/dbraw/zinc/93/75/91/654937591.db2.gz GQKAQWDBICMNTL-UHFFFAOYSA-N 1 1 383.589 2.868 20 5 GFBDMO O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940697 654953437 /nfs/dbraw/zinc/95/34/37/654953437.db2.gz RXJLIQLSESAMMX-RYUDHWBXSA-N 1 1 386.221 2.853 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000271412470 655080376 /nfs/dbraw/zinc/08/03/76/655080376.db2.gz PVXHMUOOIOIREJ-WCQYABFASA-N 1 1 385.511 2.513 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000271412470 655080381 /nfs/dbraw/zinc/08/03/81/655080381.db2.gz PVXHMUOOIOIREJ-WCQYABFASA-N 1 1 385.511 2.513 20 5 GFBDMO COCC[N@H+]1CCCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000273094605 655130461 /nfs/dbraw/zinc/13/04/61/655130461.db2.gz GCKOLSPOUAQWHM-UHFFFAOYSA-N 1 1 387.889 2.521 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000839494081 661087406 /nfs/dbraw/zinc/08/74/06/661087406.db2.gz KGLFPQCOMPEZLO-UHFFFAOYSA-N 1 1 386.290 2.636 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)[C@H](C)C1 ZINC000176723515 655253562 /nfs/dbraw/zinc/25/35/62/655253562.db2.gz OVTQSXJXBSMVEW-TZMCWYRMSA-N 1 1 389.905 2.907 20 5 GFBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000728710447 655558476 /nfs/dbraw/zinc/55/84/76/655558476.db2.gz MDACRPQHSHAXKU-UHFFFAOYSA-N 1 1 389.905 2.989 20 5 GFBDMO CC[N@H+]1CCCC[C@@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779892201 656957470 /nfs/dbraw/zinc/95/74/70/656957470.db2.gz DRAOKFTYYNWJHQ-GFCCVEGCSA-N 1 1 375.878 2.709 20 5 GFBDMO C[C@@H](O)C[C@H]1CCC[N@@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440407 658819295 /nfs/dbraw/zinc/81/92/95/658819295.db2.gz UBRVKPNUOXAPKH-ZYHUDNBSSA-N 1 1 398.257 2.506 20 5 GFBDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795440407 658819298 /nfs/dbraw/zinc/81/92/98/658819298.db2.gz UBRVKPNUOXAPKH-ZYHUDNBSSA-N 1 1 398.257 2.506 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000797832922 659058276 /nfs/dbraw/zinc/05/82/76/659058276.db2.gz SDCCSARHPOHQPU-GFCCVEGCSA-N 1 1 375.878 2.708 20 5 GFBDMO C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2ccccc2C[NH2+]1 ZINC000842480998 661341224 /nfs/dbraw/zinc/34/12/24/661341224.db2.gz CTNLADWGBXGYCV-NSHDSACASA-N 1 1 381.841 2.935 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000849411899 661718604 /nfs/dbraw/zinc/71/86/04/661718604.db2.gz XWLNSQCEMBWWLP-LBPRGKRZSA-N 1 1 389.905 2.955 20 5 GFBDMO CO[C@@H](C[N@@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCOC1 ZINC000852021929 661849505 /nfs/dbraw/zinc/84/95/05/661849505.db2.gz MLEPYELOZREULT-ZBEGNZNMSA-N 1 1 385.258 2.767 20 5 GFBDMO CO[C@@H](C[N@H+]1CCc2c(Br)ccc([N+](=O)[O-])c2C1)[C@H]1CCOC1 ZINC000852021929 661849507 /nfs/dbraw/zinc/84/95/07/661849507.db2.gz MLEPYELOZREULT-ZBEGNZNMSA-N 1 1 385.258 2.767 20 5 GFBDMO Cc1ccc(N2CCC[C@@H]([NH+]3CCOCC3)C2)c([N+](=O)[O-])c1Br ZINC000853652528 661896388 /nfs/dbraw/zinc/89/63/88/661896388.db2.gz OOKFVTZPSXXROP-CYBMUJFWSA-N 1 1 384.274 2.967 20 5 GFBDMO C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000855346950 661987368 /nfs/dbraw/zinc/98/73/68/661987368.db2.gz PQBGWTYIOYNRCK-NSHDSACASA-N 1 1 391.299 2.903 20 5 GFBDMO C[N@@H+]1CCO[C@H](CSCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000865370072 662416422 /nfs/dbraw/zinc/41/64/22/662416422.db2.gz NFRQWKLDVAMEOT-NSHDSACASA-N 1 1 384.845 2.862 20 5 GFBDMO C[N@H+]1CCO[C@H](CSCc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1 ZINC000865370072 662416427 /nfs/dbraw/zinc/41/64/27/662416427.db2.gz NFRQWKLDVAMEOT-NSHDSACASA-N 1 1 384.845 2.862 20 5 GFBDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000866044060 662458321 /nfs/dbraw/zinc/45/83/21/662458321.db2.gz OOAVYFJQQKAGDT-SMDDNHRTSA-N 1 1 384.274 2.698 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)Cc3ccc(Br)c([N+](=O)[O-])c3)CC[C@H]21 ZINC000866709932 662491063 /nfs/dbraw/zinc/49/10/63/662491063.db2.gz NMFVMGWDIVRYMS-DZGCQCFKSA-N 1 1 396.285 2.843 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)CC[C@H]21 ZINC000867806668 662577715 /nfs/dbraw/zinc/57/77/15/662577715.db2.gz HJLURSCTWVCTKR-GXSJLCMTSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000879519204 662928337 /nfs/dbraw/zinc/92/83/37/662928337.db2.gz OYJQYEHEZJGISS-YGRLFVJLSA-N 1 1 383.246 2.915 20 5 GFBDMO COCCCn1nccc1C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000883288139 663052426 /nfs/dbraw/zinc/05/24/26/663052426.db2.gz SQDRBRPSESHOLZ-UHFFFAOYSA-N 1 1 383.246 2.880 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)[n+]([O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164630153 719086113 /nfs/dbraw/zinc/08/61/13/719086113.db2.gz VQBIXOXRPNTEIJ-DOTOQJQBSA-N 1 1 388.855 2.982 20 5 GFBDMO COC(=O)c1ccc([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164625848 719112966 /nfs/dbraw/zinc/11/29/66/719112966.db2.gz HEMJMSQGHWOHRG-LPHOPBHVSA-N 1 1 396.447 2.877 20 5 GFBDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806872 720072728 /nfs/dbraw/zinc/07/27/28/720072728.db2.gz DMTUBMCDRVJVHZ-KSSFIOAISA-N 1 1 380.876 2.828 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)cnc2c1 ZINC001164722166 720351641 /nfs/dbraw/zinc/35/16/41/720351641.db2.gz FGXZCHJCBDSRQX-RTBURBONSA-N 1 1 376.420 2.786 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2c1 ZINC001164729055 720372509 /nfs/dbraw/zinc/37/25/09/720372509.db2.gz UWIUFSADPWETHU-RTBURBONSA-N 1 1 376.420 2.786 20 5 GFBDMO CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001164767089 721280813 /nfs/dbraw/zinc/28/08/13/721280813.db2.gz FUHLGLQXORKAHM-UHFFFAOYSA-N 1 1 394.859 2.742 20 5 GFBDMO CN(C)C1=[NH+]OC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2 ZINC001164877196 721326265 /nfs/dbraw/zinc/32/62/65/721326265.db2.gz JNEHHPHECSCNOI-UHFFFAOYSA-N 1 1 389.790 2.823 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164782815 721406318 /nfs/dbraw/zinc/40/63/18/721406318.db2.gz FVFORGWAPXRALU-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1ccc2ncnc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2c1 ZINC001164782815 721406321 /nfs/dbraw/zinc/40/63/21/721406321.db2.gz FVFORGWAPXRALU-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000033853116 212160898 /nfs/dbraw/zinc/16/08/98/212160898.db2.gz YPUJIDGXHSAQTF-QGZVFWFLSA-N 1 1 391.855 2.810 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000122399847 551297509 /nfs/dbraw/zinc/29/75/09/551297509.db2.gz HBZAUZNCFMGFML-TZMCWYRMSA-N 1 1 387.889 2.661 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C)C1 ZINC000131269690 551373302 /nfs/dbraw/zinc/37/33/02/551373302.db2.gz CTJSFABXMGITEP-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br)c1ccco1 ZINC000151094578 551406928 /nfs/dbraw/zinc/40/69/28/551406928.db2.gz BBAMFSSGOJQAGD-CQSZACIVSA-N 1 1 396.241 2.912 20 5 GFBDMO CC[N@H+]1CCCC[C@H]1CNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000154009804 551465415 /nfs/dbraw/zinc/46/54/15/551465415.db2.gz HXLRURUZLWQVHE-AWEZNQCLSA-N 1 1 384.274 2.890 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173263245 552081630 /nfs/dbraw/zinc/08/16/30/552081630.db2.gz MCMJQCIIGFPDAZ-YPMHNXCESA-N 1 1 375.878 2.599 20 5 GFBDMO CC[N@H+]1CCC[C@@H]1CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000177702714 552157182 /nfs/dbraw/zinc/15/71/82/552157182.db2.gz WOCJNHIEMQPIQW-CYBMUJFWSA-N 1 1 399.289 2.712 20 5 GFBDMO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1Br)c1ccco1 ZINC000182660654 552290019 /nfs/dbraw/zinc/29/00/19/552290019.db2.gz PFINMTRHXYCOHR-GFCCVEGCSA-N 1 1 382.214 2.983 20 5 GFBDMO C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3Br)CC[C@@H]21 ZINC000182664355 552290283 /nfs/dbraw/zinc/29/02/83/552290283.db2.gz XDTGULFKSJZLEL-YPMHNXCESA-N 1 1 382.258 2.914 20 5 GFBDMO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000236727625 553071212 /nfs/dbraw/zinc/07/12/12/553071212.db2.gz WSFJTOVNYOMSIQ-UHFFFAOYSA-N 1 1 383.495 2.774 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246103204 553102371 /nfs/dbraw/zinc/10/23/71/553102371.db2.gz HPBPPBHJEXYSIB-YGRLFVJLSA-N 1 1 375.878 2.517 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000247101207 553119099 /nfs/dbraw/zinc/11/90/99/553119099.db2.gz QAUUARFCVBDKAR-SWLSCSKDSA-N 1 1 387.889 2.661 20 5 GFBDMO C[N@H+]1CC[C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1cccs1 ZINC000370382291 563242003 /nfs/dbraw/zinc/24/20/03/563242003.db2.gz RNCGACWNYWYNJB-WBMJQRKESA-N 1 1 381.479 2.628 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c(Cl)c1 ZINC000313335949 563437379 /nfs/dbraw/zinc/43/73/79/563437379.db2.gz HKLRLNNCDUSRII-OAHLLOKOSA-N 1 1 381.841 2.583 20 5 GFBDMO CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)n1 ZINC000427322263 563465292 /nfs/dbraw/zinc/46/52/92/563465292.db2.gz SPVXZVFYVYRKCL-UHFFFAOYSA-N 1 1 396.245 2.888 20 5 GFBDMO C[C@]12CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C[C@H]1C2(Cl)Cl ZINC000284667914 563485700 /nfs/dbraw/zinc/48/57/00/563485700.db2.gz GTCBJNYHYMRGGX-DFBGVHRSSA-N 1 1 375.252 2.850 20 5 GFBDMO C[N@@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000290652560 563717244 /nfs/dbraw/zinc/71/72/44/563717244.db2.gz FAQIJYYYWBJQRB-NOZJJQNGSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@@H]2CCN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)[C@@H]2C1 ZINC000290652560 563717248 /nfs/dbraw/zinc/71/72/48/563717248.db2.gz FAQIJYYYWBJQRB-NOZJJQNGSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)C2)C1 ZINC000455395626 564552711 /nfs/dbraw/zinc/55/27/11/564552711.db2.gz BMISMYFUIPDHGP-HNNXBMFYSA-N 1 1 383.246 2.917 20 5 GFBDMO C[NH+](C)C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000548976629 564583129 /nfs/dbraw/zinc/58/31/29/564583129.db2.gz DCOFCHIMAITHPY-CQSZACIVSA-N 1 1 383.857 2.829 20 5 GFBDMO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412034 564593140 /nfs/dbraw/zinc/59/31/40/564593140.db2.gz PGRIIRDRHJDLGL-GXFFZTMASA-N 1 1 390.221 2.935 20 5 GFBDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412034 564593142 /nfs/dbraw/zinc/59/31/42/564593142.db2.gz PGRIIRDRHJDLGL-GXFFZTMASA-N 1 1 390.221 2.935 20 5 GFBDMO C[C@@H]1C[NH+](C[C@@H](O)COc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[C@@H](C)O1 ZINC000549746059 564604154 /nfs/dbraw/zinc/60/41/54/564604154.db2.gz SGHFPRPPHMWMNQ-CKYFFXLPSA-N 1 1 379.240 2.751 20 5 GFBDMO Cc1c(Br)c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000486462809 564653333 /nfs/dbraw/zinc/65/33/33/564653333.db2.gz CJFALZVTWOFMKZ-LLVKDONJSA-N 1 1 399.289 2.750 20 5 GFBDMO Cc1c(Br)c(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)ncc1[N+](=O)[O-] ZINC000486462809 564653338 /nfs/dbraw/zinc/65/33/38/564653338.db2.gz CJFALZVTWOFMKZ-LLVKDONJSA-N 1 1 399.289 2.750 20 5 GFBDMO CC[N@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000462158638 564824890 /nfs/dbraw/zinc/82/48/90/564824890.db2.gz XKHHWHZFWWJPSH-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO CC[N@@H+](CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000462158638 564824894 /nfs/dbraw/zinc/82/48/94/564824894.db2.gz XKHHWHZFWWJPSH-UHFFFAOYSA-N 1 1 382.269 2.664 20 5 GFBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000597584061 565565168 /nfs/dbraw/zinc/56/51/68/565565168.db2.gz XDKWDJQXAHTROJ-QWHCGFSZSA-N 1 1 386.221 2.616 20 5 GFBDMO O=C(NCc1c[nH+]c2n1CCCC2)c1c(Br)cccc1[N+](=O)[O-] ZINC000599917632 565705891 /nfs/dbraw/zinc/70/58/91/565705891.db2.gz DOAHMLJUASJXRN-UHFFFAOYSA-N 1 1 379.214 2.820 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1 ZINC000736267830 598869946 /nfs/dbraw/zinc/86/99/46/598869946.db2.gz PKKRBUGVYPVJEI-GJZGRUSLSA-N 1 1 385.472 2.866 20 5 GFBDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821597674 599106917 /nfs/dbraw/zinc/10/69/17/599106917.db2.gz CEECNKWYIHMEIM-INIZCTEOSA-N 1 1 393.451 2.733 20 5 GFBDMO C[C@H](CNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1)[N@H+]1CCC[C@@H](C)C1 ZINC000820711410 599477910 /nfs/dbraw/zinc/47/79/10/599477910.db2.gz YQDFDYHFISFWHH-CHWSQXEVSA-N 1 1 396.455 2.855 20 5 GFBDMO C[C@H]1C[C@@H](Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])CC[N@H+]1Cc1ccccc1 ZINC000820664512 606716303 /nfs/dbraw/zinc/71/63/03/606716303.db2.gz AZUXKOPIKUBEFS-ZFWWWQNUSA-N 1 1 394.439 2.635 20 5 GFBDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820120813 606857183 /nfs/dbraw/zinc/85/71/83/606857183.db2.gz KDHJYMBUZQAILD-SFHVURJKSA-N 1 1 382.424 2.719 20 5 GFBDMO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826500418 608515396 /nfs/dbraw/zinc/51/53/96/608515396.db2.gz XVCRVPNIJRHYHB-FNORWQNLSA-N 1 1 391.435 2.610 20 5 GFBDMO C[N@H+]1CC[C@H](CC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000822788217 660354402 /nfs/dbraw/zinc/35/44/02/660354402.db2.gz DAVBHOVROWKVQX-LLVKDONJSA-N 1 1 382.258 2.584 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000123246581 654754328 /nfs/dbraw/zinc/75/43/28/654754328.db2.gz BGWFSRFKWSROGT-CQSZACIVSA-N 1 1 387.458 2.685 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153454144 655067073 /nfs/dbraw/zinc/06/70/73/655067073.db2.gz VXERJAGKILCICZ-CYBMUJFWSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153454144 655067076 /nfs/dbraw/zinc/06/70/76/655067076.db2.gz VXERJAGKILCICZ-CYBMUJFWSA-N 1 1 375.878 2.542 20 5 GFBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601222 661094791 /nfs/dbraw/zinc/09/47/91/661094791.db2.gz PLHQLHUUJVPFCY-OCCSQVGLSA-N 1 1 384.274 2.652 20 5 GFBDMO C[C@@H]1C[C@H](N2CCOCC2)C[N@H+]1Cc1cccc([N+](=O)[O-])c1Br ZINC000839601222 661094797 /nfs/dbraw/zinc/09/47/97/661094797.db2.gz PLHQLHUUJVPFCY-OCCSQVGLSA-N 1 1 384.274 2.652 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1Br ZINC000839495092 661087393 /nfs/dbraw/zinc/08/73/93/661087393.db2.gz FDDHYDGWURHJGO-CQSZACIVSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c1Br ZINC000839495092 661087395 /nfs/dbraw/zinc/08/73/95/661087395.db2.gz FDDHYDGWURHJGO-CQSZACIVSA-N 1 1 384.274 2.654 20 5 GFBDMO O=[N+]([O-])c1cccc(CN2CCC[C@@H]2C[NH+]2CCOCC2)c1Br ZINC000839495092 661087398 /nfs/dbraw/zinc/08/73/98/661087398.db2.gz FDDHYDGWURHJGO-CQSZACIVSA-N 1 1 384.274 2.654 20 5 GFBDMO Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)c(Br)cc1[N+](=O)[O-] ZINC000276552760 655278980 /nfs/dbraw/zinc/27/89/80/655278980.db2.gz FLOOSNNHLAJKAW-UHFFFAOYSA-N 1 1 386.290 2.949 20 5 GFBDMO C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C2)C1 ZINC000294125312 655365333 /nfs/dbraw/zinc/36/53/33/655365333.db2.gz MAVKETHWGYVXTL-INIZCTEOSA-N 1 1 382.258 2.915 20 5 GFBDMO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(S(C)(=O)=O)CC1 ZINC000512903873 655418189 /nfs/dbraw/zinc/41/81/89/655418189.db2.gz IRRPRPXHCUXFDI-LLVKDONJSA-N 1 1 381.479 2.774 20 5 GFBDMO O=C(c1ccc(Br)cc1[N+](=O)[O-])N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000575039680 655434623 /nfs/dbraw/zinc/43/46/23/655434623.db2.gz YPHUOCHHCVFLES-OAHLLOKOSA-N 1 1 391.225 2.539 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000264670087 655468261 /nfs/dbraw/zinc/46/82/61/655468261.db2.gz WCDQQARRFXMRPV-CHWSQXEVSA-N 1 1 375.397 2.630 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000752234043 655841130 /nfs/dbraw/zinc/84/11/30/655841130.db2.gz CRJOGAXMPIDFLR-LLVKDONJSA-N 1 1 375.878 2.567 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000841526880 661289981 /nfs/dbraw/zinc/28/99/81/661289981.db2.gz BBLRLOIVBAWWHO-UHFFFAOYSA-N 1 1 375.878 2.709 20 5 GFBDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000798163997 659077361 /nfs/dbraw/zinc/07/73/61/659077361.db2.gz CFNDAIKRAXSHHJ-TUAOUCFPSA-N 1 1 399.289 2.849 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCCN1S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000798223085 659083047 /nfs/dbraw/zinc/08/30/47/659083047.db2.gz DZJVPLXZSZEOMX-LBPRGKRZSA-N 1 1 375.878 2.661 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025568 660103589 /nfs/dbraw/zinc/10/35/89/660103589.db2.gz GHMTYLBJOJDUIH-UHFFFAOYSA-N 1 1 390.824 2.603 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000849411466 661718230 /nfs/dbraw/zinc/71/82/30/661718230.db2.gz KFZSCDNXTJDOOR-LBPRGKRZSA-N 1 1 389.905 2.955 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000849411898 661718522 /nfs/dbraw/zinc/71/85/22/661718522.db2.gz XWLNSQCEMBWWLP-GFCCVEGCSA-N 1 1 389.905 2.955 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000849412239 661718922 /nfs/dbraw/zinc/71/89/22/661718922.db2.gz IUWIHKWXGMYTFF-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000849412239 661718925 /nfs/dbraw/zinc/71/89/25/661718925.db2.gz IUWIHKWXGMYTFF-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO C[N@H+]1CC[C@@H]2CN(S(=O)(=O)c3cc([N+](=O)[O-])c(Cl)cc3Cl)CC[C@@H]21 ZINC000867809187 662578262 /nfs/dbraw/zinc/57/82/62/662578262.db2.gz QCKJJZPWUAEWGZ-SKDRFNHKSA-N 1 1 394.280 2.616 20 5 GFBDMO Cc1c(Br)cc(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1[N+](=O)[O-] ZINC000874833452 662837814 /nfs/dbraw/zinc/83/78/14/662837814.db2.gz NBGVBAMHFFSCFH-KGLIPLIRSA-N 1 1 382.258 2.974 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1Cl ZINC000884957230 663079634 /nfs/dbraw/zinc/07/96/34/663079634.db2.gz MWQPGJKNILWOLN-ZJUUUORDSA-N 1 1 394.280 2.807 20 5 GFBDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889719163 663259708 /nfs/dbraw/zinc/25/97/08/663259708.db2.gz PETNWIPGKYTKNT-ZDUSSCGKSA-N 1 1 385.262 2.593 20 5 GFBDMO C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000889726946 663261379 /nfs/dbraw/zinc/26/13/79/663261379.db2.gz YQXVLFPBSGBACH-SMDDNHRTSA-N 1 1 399.289 2.981 20 5 GFBDMO CN(c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)c1)S(C)(=O)=O ZINC000898284959 663642183 /nfs/dbraw/zinc/64/21/83/663642183.db2.gz RMAIMFILMXIWLE-UHFFFAOYSA-N 1 1 383.857 2.934 20 5 GFBDMO COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164627167 719077752 /nfs/dbraw/zinc/07/77/52/719077752.db2.gz PNEBCMCPGIPYIY-IRXDYDNUSA-N 1 1 383.452 2.803 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)C2 ZINC001164809063 720105663 /nfs/dbraw/zinc/10/56/63/720105663.db2.gz GNVVAOJTOOKDDH-IIBYNOLFSA-N 1 1 397.479 2.723 20 5 GFBDMO Cc1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-] ZINC001164853946 720923154 /nfs/dbraw/zinc/92/31/54/720923154.db2.gz CKQCQPAOZQLGKF-GFCCVEGCSA-N 1 1 393.879 2.965 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1[N+](=O)[O-] ZINC001164767245 721104431 /nfs/dbraw/zinc/10/44/31/721104431.db2.gz LZZFVVAORYWLOU-CABCVRRESA-N 1 1 390.875 2.643 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cnc2c1 ZINC001164782845 721398215 /nfs/dbraw/zinc/39/82/15/721398215.db2.gz GAXOFVQRBBAUFK-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO O=[N+]([O-])c1ccc2nc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cnc2c1 ZINC001164782845 721398220 /nfs/dbraw/zinc/39/82/20/721398220.db2.gz GAXOFVQRBBAUFK-BETUJISGSA-N 1 1 382.449 2.563 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164806643 721538401 /nfs/dbraw/zinc/53/84/01/721538401.db2.gz POXQWTGXDPNLNU-LNLFQRSKSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-] ZINC001164806643 721538403 /nfs/dbraw/zinc/53/84/03/721538403.db2.gz POXQWTGXDPNLNU-LNLFQRSKSA-N 1 1 383.452 2.561 20 5 GFBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2[nH]ccc21 ZINC001164905804 721546236 /nfs/dbraw/zinc/54/62/36/721546236.db2.gz IJYHREVXUPKYJE-ZBFHGGJFSA-N 1 1 397.410 2.952 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925989 721873306 /nfs/dbraw/zinc/87/33/06/721873306.db2.gz PNDLLMRKFMVKST-RBUKOAKNSA-N 1 1 396.495 2.575 20 5 GFBDMO Cc1ccc(-c2ccc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)nn2)cc1[N+](=O)[O-] ZINC001164925989 721873308 /nfs/dbraw/zinc/87/33/08/721873308.db2.gz PNDLLMRKFMVKST-RBUKOAKNSA-N 1 1 396.495 2.575 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c(Cl)c1 ZINC000123267930 551304536 /nfs/dbraw/zinc/30/45/36/551304536.db2.gz YANOAQWPEZESDH-UHFFFAOYSA-N 1 1 387.889 2.887 20 5 GFBDMO Cc1cc[nH+]c(N2CCN(c3ncc([N+](=O)[O-])cc3Br)CC2)c1 ZINC000152999190 551444126 /nfs/dbraw/zinc/44/41/26/551444126.db2.gz UPPWPIWFLRDINZ-UHFFFAOYSA-N 1 1 378.230 2.782 20 5 GFBDMO NC(=O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000191488862 552529756 /nfs/dbraw/zinc/52/97/56/552529756.db2.gz ZUHYGQINDJISTR-UHFFFAOYSA-N 1 1 380.198 2.725 20 5 GFBDMO O=[N+]([O-])c1cccc(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000192686074 552971733 /nfs/dbraw/zinc/97/17/33/552971733.db2.gz PAXCUDZZSMCUJT-OAHLLOKOSA-N 1 1 381.479 2.772 20 5 GFBDMO CC(C)c1[nH+]ccn1C[C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000369455383 563215038 /nfs/dbraw/zinc/21/50/38/563215038.db2.gz JHOIZQXWNOIXPW-GFCCVEGCSA-N 1 1 384.483 2.830 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000425421632 563421431 /nfs/dbraw/zinc/42/14/31/563421431.db2.gz OANCOEOZGFSHTO-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000425421632 563421436 /nfs/dbraw/zinc/42/14/36/563421436.db2.gz OANCOEOZGFSHTO-LBPRGKRZSA-N 1 1 380.246 2.861 20 5 GFBDMO CC[N@H+]1CC[C@H]2OCCN(Cc3ccc(Br)cc3[N+](=O)[O-])[C@H]2C1 ZINC000425480078 563424372 /nfs/dbraw/zinc/42/43/72/563424372.db2.gz OUJNOEHBORJQJB-JKSUJKDBSA-N 1 1 384.274 2.652 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285538960 563525892 /nfs/dbraw/zinc/52/58/92/563525892.db2.gz HUPVPQXJWQMBGL-IAQYHMDHSA-N 1 1 382.258 2.832 20 5 GFBDMO C[N@@H+](CCC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000289565276 563678685 /nfs/dbraw/zinc/67/86/85/563678685.db2.gz JFRDOCXCKOCKLH-UHFFFAOYSA-N 1 1 382.214 2.925 20 5 GFBDMO CN(C[C@@H]1CCc2[nH+]ccn2C1)C(=O)c1sc(Br)cc1[N+](=O)[O-] ZINC000365463603 563784252 /nfs/dbraw/zinc/78/42/52/563784252.db2.gz PBANRVDJUURPJZ-VIFPVBQESA-N 1 1 399.270 2.950 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416366967 563818257 /nfs/dbraw/zinc/81/82/57/563818257.db2.gz DYCPIWKXXPKJSA-HNNXBMFYSA-N 1 1 383.495 2.854 20 5 GFBDMO Cc1csc(Sc2ccc(C(=O)NCC[NH+]3CCC3)cc2[N+](=O)[O-])n1 ZINC000505418075 564182882 /nfs/dbraw/zinc/18/28/82/564182882.db2.gz XFABKKPOZMEXPU-UHFFFAOYSA-N 1 1 378.479 2.946 20 5 GFBDMO CN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC[N@H+](C2CC2)C1 ZINC000475836011 564322240 /nfs/dbraw/zinc/32/22/40/564322240.db2.gz NNZKBYMIAUIZGD-AWEZNQCLSA-N 1 1 382.258 2.595 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2nc3ccccc3s2)cc1 ZINC000566819645 564344966 /nfs/dbraw/zinc/34/49/66/564344966.db2.gz FDAQORSNYHHZFF-UHFFFAOYSA-N 1 1 377.447 2.768 20 5 GFBDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000553045571 564707845 /nfs/dbraw/zinc/70/78/45/564707845.db2.gz BMLIVPVVXSNVNU-SNVBAGLBSA-N 1 1 375.256 2.901 20 5 GFBDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000492236451 564800909 /nfs/dbraw/zinc/80/09/09/564800909.db2.gz GXWZVXUVYIRFKI-HNNXBMFYSA-N 1 1 399.289 2.712 20 5 GFBDMO CC[C@]1(CO)CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582269391 564837735 /nfs/dbraw/zinc/83/77/35/564837735.db2.gz DBKAKUYGBMNGGX-CQSZACIVSA-N 1 1 390.221 2.936 20 5 GFBDMO CC[C@]1(CO)CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000582269391 564837737 /nfs/dbraw/zinc/83/77/37/564837737.db2.gz DBKAKUYGBMNGGX-CQSZACIVSA-N 1 1 390.221 2.936 20 5 GFBDMO CC[NH+](CC)[C@H](C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000462431877 564838650 /nfs/dbraw/zinc/83/86/50/564838650.db2.gz YJPUTYWGHIFKJG-SECBINFHSA-N 1 1 384.285 2.910 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(Cl)c1 ZINC000462581988 564850103 /nfs/dbraw/zinc/85/01/03/564850103.db2.gz XAFQFTGVFGWCGK-ZDUSSCGKSA-N 1 1 387.889 2.791 20 5 GFBDMO COc1cc(Cl)ccc1C[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000583258701 564883511 /nfs/dbraw/zinc/88/35/11/564883511.db2.gz REVHQOCXICNOKJ-UHFFFAOYSA-N 1 1 384.841 2.820 20 5 GFBDMO CC[N@H+]1CCC[C@H](CNC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000498053873 564887165 /nfs/dbraw/zinc/88/71/65/564887165.db2.gz FXRYAVJJFSYJLQ-GFCCVEGCSA-N 1 1 384.274 2.748 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(Cl)c1 ZINC000595410389 565474416 /nfs/dbraw/zinc/47/44/16/565474416.db2.gz LCHYIIOLTVFFQJ-CYBMUJFWSA-N 1 1 387.889 2.649 20 5 GFBDMO CCO[C@@H](CC[NH+](C)C)CNCc1cc(Br)c([N+](=O)[O-])s1 ZINC000602586345 565856074 /nfs/dbraw/zinc/85/60/74/565856074.db2.gz ACWYEQCUMYOQIN-JTQLQIEISA-N 1 1 380.308 2.865 20 5 GFBDMO O=[N+]([O-])c1sc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1Br ZINC000602718699 565864799 /nfs/dbraw/zinc/86/47/99/565864799.db2.gz QCZVNIUSFJAILM-LLVKDONJSA-N 1 1 390.303 2.762 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000736269418 598870023 /nfs/dbraw/zinc/87/00/23/598870023.db2.gz WRWOJEHSVQHBCN-LSDHHAIUSA-N 1 1 385.472 2.866 20 5 GFBDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000736290964 598976650 /nfs/dbraw/zinc/97/66/50/598976650.db2.gz SMBZBSYTPBJKQD-OAHLLOKOSA-N 1 1 393.451 2.876 20 5 GFBDMO Cc1cccc2c(NCCc3ccccc3[N+](=O)[O-])c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336879 599060481 /nfs/dbraw/zinc/06/04/81/599060481.db2.gz SJLFEEZOIZWOLM-UHFFFAOYSA-N 1 1 375.392 2.708 20 5 GFBDMO Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH+]1 ZINC000822191656 599090491 /nfs/dbraw/zinc/09/04/91/599090491.db2.gz NCWIXYVKZDKLQR-UHFFFAOYSA-N 1 1 395.423 2.835 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(-c2nn[nH]n2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736267605 599258378 /nfs/dbraw/zinc/25/83/78/599258378.db2.gz OWZODCGAFSYJHE-ZDUSSCGKSA-N 1 1 396.455 3.000 20 5 GFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736200175 598430780 /nfs/dbraw/zinc/43/07/80/598430780.db2.gz CNBJOTFTILNKEC-HNNXBMFYSA-N 1 1 393.451 2.654 20 5 GFBDMO O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000823620656 606703721 /nfs/dbraw/zinc/70/37/21/606703721.db2.gz NSJLIEYBMUFDGE-OAHLLOKOSA-N 1 1 394.439 2.637 20 5 GFBDMO COc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1-c1nn[nH]n1 ZINC000826194019 608172999 /nfs/dbraw/zinc/17/29/99/608172999.db2.gz XWMUQJJZNYQFAA-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827264638 660486915 /nfs/dbraw/zinc/48/69/15/660486915.db2.gz CXSMYEXHSFYCRW-ABAIWWIYSA-N 1 1 382.258 2.832 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccs1 ZINC000044761023 654663579 /nfs/dbraw/zinc/66/35/79/654663579.db2.gz MRHRTKMPBHBSFO-LBPRGKRZSA-N 1 1 389.886 2.891 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000129077331 654855839 /nfs/dbraw/zinc/85/58/39/654855839.db2.gz MCCPMQUZFCFCMM-TZMCWYRMSA-N 1 1 387.889 2.661 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176122 655156808 /nfs/dbraw/zinc/15/68/08/655156808.db2.gz VHXWKHQRLSFACU-ZDUSSCGKSA-N 1 1 375.878 2.542 20 5 GFBDMO CS(=O)(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172176122 655156811 /nfs/dbraw/zinc/15/68/11/655156811.db2.gz VHXWKHQRLSFACU-ZDUSSCGKSA-N 1 1 375.878 2.542 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173262991 655165688 /nfs/dbraw/zinc/16/56/88/655165688.db2.gz DKDQKBIQBWZFTF-YPMHNXCESA-N 1 1 375.878 2.599 20 5 GFBDMO Cc1cc(N2CCC([N@H+]3CC[C@H](O)C3)CC2)c(Br)cc1[N+](=O)[O-] ZINC000596540986 655516458 /nfs/dbraw/zinc/51/64/58/655516458.db2.gz XQFDEZRMYKKTQL-ZDUSSCGKSA-N 1 1 384.274 2.701 20 5 GFBDMO C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C)C1 ZINC000725822973 655527007 /nfs/dbraw/zinc/52/70/07/655527007.db2.gz PEBJIOMRKSZKIW-VXGBXAGGSA-N 1 1 375.878 2.647 20 5 GFBDMO C[C@H]1CCC[N@@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)C1 ZINC000754636904 655870568 /nfs/dbraw/zinc/87/05/68/655870568.db2.gz SBACSZMXYJEYHX-JTQLQIEISA-N 1 1 388.237 2.958 20 5 GFBDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(S(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768836811 656254587 /nfs/dbraw/zinc/25/45/87/656254587.db2.gz YVRHKMZBQLHLQN-UONOGXRCSA-N 1 1 387.527 2.931 20 5 GFBDMO NC(=O)[C@H]1CCC[N@@H+](CCCNCc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C1 ZINC000811478082 660009855 /nfs/dbraw/zinc/00/98/55/660009855.db2.gz ABOGFHPNTKYXNQ-NSHDSACASA-N 1 1 389.283 2.579 20 5 GFBDMO C[C@@H](CNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[N@H+]1CCCC[C@@H]1C ZINC000814990024 660100378 /nfs/dbraw/zinc/10/03/78/660100378.db2.gz YEVTWDZADIMCFK-QWRGUYRKSA-N 1 1 393.868 2.929 20 5 GFBDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000867961344 662589622 /nfs/dbraw/zinc/58/96/22/662589622.db2.gz VUZXNCMYYUJHHD-CYBMUJFWSA-N 1 1 384.274 2.843 20 5 GFBDMO CN(C(=O)NCc1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CC[N@H+](C2CC2)C1 ZINC000889726746 663261335 /nfs/dbraw/zinc/26/13/35/663261335.db2.gz UVORQEHNRXDPJO-CQSZACIVSA-N 1 1 397.273 2.735 20 5 GFBDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])n1C ZINC000895610686 663520936 /nfs/dbraw/zinc/52/09/36/663520936.db2.gz HQBNULOAFFEFKK-UHFFFAOYSA-N 1 1 382.214 2.772 20 5 GFBDMO COCC[N@H+]1CCCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 ZINC000896626292 663568712 /nfs/dbraw/zinc/56/87/12/663568712.db2.gz PHGFVLCSAYIPIC-UHFFFAOYSA-N 1 1 394.230 2.835 20 5 GFBDMO Cc1c(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)cccc1[N+](=O)[O-] ZINC000897977926 663628412 /nfs/dbraw/zinc/62/84/12/663628412.db2.gz ITOZWRMHUJAODT-CYBMUJFWSA-N 1 1 391.225 2.714 20 5 GFBDMO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931096 664231323 /nfs/dbraw/zinc/23/13/23/664231323.db2.gz NHQSTHNQDOIOQM-RKDXNWHRSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931096 664231325 /nfs/dbraw/zinc/23/13/25/664231325.db2.gz NHQSTHNQDOIOQM-RKDXNWHRSA-N 1 1 394.230 2.568 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000929714692 664756415 /nfs/dbraw/zinc/75/64/15/664756415.db2.gz NKBKLURRNPZUNR-CYBMUJFWSA-N 1 1 384.274 2.511 20 5 GFBDMO O=[N+]([O-])c1ccc(Br)c(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000929714692 664756418 /nfs/dbraw/zinc/75/64/18/664756418.db2.gz NKBKLURRNPZUNR-CYBMUJFWSA-N 1 1 384.274 2.511 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc([N+](=O)[O-])cc1Cl)C2 ZINC001164806876 720073019 /nfs/dbraw/zinc/07/30/19/720073019.db2.gz DMTUBMCDRVJVHZ-RDTXWAMCSA-N 1 1 380.876 2.828 20 5 GFBDMO CCOc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)ccc1[N+](=O)[O-] ZINC001164811136 720147813 /nfs/dbraw/zinc/14/78/13/720147813.db2.gz LRDDBGFEXCXZIZ-OXQOHEQNSA-N 1 1 390.484 2.573 20 5 GFBDMO O=[N+]([O-])c1cccc2ncnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c21 ZINC001164726194 720471477 /nfs/dbraw/zinc/47/14/77/720471477.db2.gz KQBFAENIGMBVGN-IRXDYDNUSA-N 1 1 376.420 2.786 20 5 GFBDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nccc5cc([N+](=O)[O-])ccc54)C[C@@H]3C2)cn1 ZINC001164761878 721242692 /nfs/dbraw/zinc/24/26/92/721242692.db2.gz JRUBCWSMFKXZFJ-MSOLQXFVSA-N 1 1 392.463 2.835 20 5 GFBDMO Cc1cc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-] ZINC001164791596 721402140 /nfs/dbraw/zinc/40/21/40/721402140.db2.gz ZPYXMWKVNPGRHQ-RYUDHWBXSA-N 1 1 379.873 2.976 20 5 GFBDMO O=[N+]([O-])c1cnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c(F)c1 ZINC001164911445 721526899 /nfs/dbraw/zinc/52/68/99/721526899.db2.gz WSFUSIVHBOKUHH-GOEBONIOSA-N 1 1 376.363 2.610 20 5 GFBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])cc4N)CC3)C2)cc1 ZINC001164939941 721930607 /nfs/dbraw/zinc/93/06/07/721930607.db2.gz OZYBBODVUNUCDV-UHFFFAOYSA-N 1 1 397.479 2.752 20 5 GFBDMO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982514 722124038 /nfs/dbraw/zinc/12/40/38/722124038.db2.gz WVKOIBBBNUAFOY-RBUKOAKNSA-N 1 1 397.479 2.729 20 5 GFBDMO Cc1c(Br)cc(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000163838693 551622538 /nfs/dbraw/zinc/62/25/38/551622538.db2.gz WJOLBEBOIQPAKE-LLVKDONJSA-N 1 1 382.258 2.880 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000173255784 552081262 /nfs/dbraw/zinc/08/12/62/552081262.db2.gz NLZCDYLQYYRBJR-DGCLKSJQSA-N 1 1 375.878 2.599 20 5 GFBDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000177006874 552149482 /nfs/dbraw/zinc/14/94/82/552149482.db2.gz ZXFUQZCBRGRICK-JTQLQIEISA-N 1 1 381.230 2.928 20 5 GFBDMO Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000189799507 552480450 /nfs/dbraw/zinc/48/04/50/552480450.db2.gz UVRKLWTYJLHBAR-CYBMUJFWSA-N 1 1 383.495 2.854 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2sc(Br)cc2[N+](=O)[O-])C1 ZINC000278868725 563274194 /nfs/dbraw/zinc/27/41/94/563274194.db2.gz XSCJNEFSCVERAB-VHSXEESVSA-N 1 1 388.287 2.975 20 5 GFBDMO C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(Br)c([N+](=O)[O-])c3)C2)C1 ZINC000297623498 563331543 /nfs/dbraw/zinc/33/15/43/563331543.db2.gz BXPQEUFYNFYNAR-HNNXBMFYSA-N 1 1 383.246 2.917 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCC[NH+]1CCCCCC1 ZINC000301243395 563397883 /nfs/dbraw/zinc/39/78/83/563397883.db2.gz NGLSWXWGZXCJKD-UHFFFAOYSA-N 1 1 377.413 2.879 20 5 GFBDMO C[C@@H]1CN(Cc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1CC(C)(C)O ZINC000425437090 563422301 /nfs/dbraw/zinc/42/23/01/563422301.db2.gz AQRJCPCILWMIQM-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO O=C(c1cc(Br)cc([N+](=O)[O-])c1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363157932 563715631 /nfs/dbraw/zinc/71/56/31/563715631.db2.gz PTYPBGCGORQWHI-VBNZEHGJSA-N 1 1 394.269 2.914 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000290858185 563724284 /nfs/dbraw/zinc/72/42/84/563724284.db2.gz XCYBXFSPGBMUKF-GXFFZTMASA-N 1 1 393.868 2.738 20 5 GFBDMO C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C[NH+]1CCN(C)CC1 ZINC000290979194 563728782 /nfs/dbraw/zinc/72/87/82/563728782.db2.gz YJQLIVYSQPBQKQ-GFCCVEGCSA-N 1 1 375.300 2.875 20 5 GFBDMO O=C(c1cc([N+](=O)[O-])ccc1Br)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363647276 563729508 /nfs/dbraw/zinc/72/95/08/563729508.db2.gz UHGPQPBOSMKXST-PEYYIBSZSA-N 1 1 394.269 2.914 20 5 GFBDMO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564387823 564232041 /nfs/dbraw/zinc/23/20/41/564232041.db2.gz QGCFUVNXIFHTMU-ZDUSSCGKSA-N 1 1 390.221 2.935 20 5 GFBDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000564387823 564232045 /nfs/dbraw/zinc/23/20/45/564232045.db2.gz QGCFUVNXIFHTMU-ZDUSSCGKSA-N 1 1 390.221 2.935 20 5 GFBDMO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412035 564593527 /nfs/dbraw/zinc/59/35/27/564593527.db2.gz PGRIIRDRHJDLGL-MFKMUULPSA-N 1 1 390.221 2.935 20 5 GFBDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000572412035 564593530 /nfs/dbraw/zinc/59/35/30/564593530.db2.gz PGRIIRDRHJDLGL-MFKMUULPSA-N 1 1 390.221 2.935 20 5 GFBDMO CC1(C)CCC[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000457056347 564644985 /nfs/dbraw/zinc/64/49/85/564644985.db2.gz NMPOYABGJXHOAQ-UHFFFAOYSA-N 1 1 384.274 2.890 20 5 GFBDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1[N+](=O)[O-] ZINC000524638128 564684772 /nfs/dbraw/zinc/68/47/72/564684772.db2.gz HYBNDTFEPWQYPH-LLVKDONJSA-N 1 1 389.237 2.977 20 5 GFBDMO C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC1 ZINC000553149588 564711421 /nfs/dbraw/zinc/71/14/21/564711421.db2.gz GAGXMUAYXKIRCJ-ZDUSSCGKSA-N 1 1 387.267 2.644 20 5 GFBDMO O=[N+]([O-])c1cnc2ccc(Br)cc2c1N[C@H]1CCn2cc[nH+]c2C1 ZINC000489940079 564758286 /nfs/dbraw/zinc/75/82/86/564758286.db2.gz RHXSNHWVRZPMRM-NSHDSACASA-N 1 1 388.225 2.951 20 5 GFBDMO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000497555311 564871284 /nfs/dbraw/zinc/87/12/84/564871284.db2.gz VXPTWDTVZDQXFZ-UHFFFAOYSA-N 1 1 384.267 3.000 20 5 GFBDMO C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000530617827 564889514 /nfs/dbraw/zinc/88/95/14/564889514.db2.gz IKANAKFKHHAEDT-OAHLLOKOSA-N 1 1 383.857 2.829 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000584544307 565086892 /nfs/dbraw/zinc/08/68/92/565086892.db2.gz XAPWMVJSRNXFPV-UHFFFAOYSA-N 1 1 382.258 2.976 20 5 GFBDMO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758944 565491340 /nfs/dbraw/zinc/49/13/40/565491340.db2.gz NNFVIEKHNODXBU-SMDDNHRTSA-N 1 1 388.205 2.668 20 5 GFBDMO C[C@@]12COC[C@@H]1C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C2 ZINC000595758944 565491342 /nfs/dbraw/zinc/49/13/42/565491342.db2.gz NNFVIEKHNODXBU-SMDDNHRTSA-N 1 1 388.205 2.668 20 5 GFBDMO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(-c2nn[nH]n2)c1 ZINC000738369667 598675252 /nfs/dbraw/zinc/67/52/52/598675252.db2.gz LPPXNLNMLGSVCV-MRXNPFEDSA-N 1 1 393.451 2.751 20 5 GFBDMO O=[N+]([O-])c1cccc(C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C2CC2)c1 ZINC000823647628 607176908 /nfs/dbraw/zinc/17/69/08/607176908.db2.gz NLHMVRUJBYZKNN-UHFFFAOYSA-N 1 1 380.408 2.818 20 5 GFBDMO O=[N+]([O-])c1ccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000054104220 654756284 /nfs/dbraw/zinc/75/62/84/654756284.db2.gz SVGBHGWSXPSFTP-UHFFFAOYSA-N 1 1 381.479 2.599 20 5 GFBDMO Cc1sc(S(=O)(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000126822060 654821807 /nfs/dbraw/zinc/82/18/07/654821807.db2.gz XRTUCWQJGZLKEX-WCQYABFASA-N 1 1 387.527 2.896 20 5 GFBDMO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000133563039 654967570 /nfs/dbraw/zinc/96/75/70/654967570.db2.gz OXVYKHFPWMPDHD-VHSXEESVSA-N 1 1 375.397 2.628 20 5 GFBDMO C[C@H]1C[C@@H](Nc2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000133563039 654967574 /nfs/dbraw/zinc/96/75/74/654967574.db2.gz OXVYKHFPWMPDHD-VHSXEESVSA-N 1 1 375.397 2.628 20 5 GFBDMO C[N@H+]1CCC[C@H](CNc2ccc(I)cc2[N+](=O)[O-])C1 ZINC000097347519 655034589 /nfs/dbraw/zinc/03/45/89/655034589.db2.gz URFBODUAYDRYSI-SNVBAGLBSA-N 1 1 375.210 2.953 20 5 GFBDMO C[C@H](Nc1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000272652804 655118115 /nfs/dbraw/zinc/11/81/15/655118115.db2.gz AVKBGBHXNOYZMV-JTQLQIEISA-N 1 1 375.397 2.653 20 5 GFBDMO CC(C)C[N@H+]1CCC[C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000120226747 655331784 /nfs/dbraw/zinc/33/17/84/655331784.db2.gz XTDNQQPYRIQZGR-CYBMUJFWSA-N 1 1 389.905 2.895 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000752234887 655841139 /nfs/dbraw/zinc/84/11/39/655841139.db2.gz NJYSDFKKEMHVFV-GFCCVEGCSA-N 1 1 375.878 2.709 20 5 GFBDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754635019 655870572 /nfs/dbraw/zinc/87/05/72/655870572.db2.gz FGTNQVGXVVTPMB-SECBINFHSA-N 1 1 376.226 2.957 20 5 GFBDMO CCCC[N@@H+](C)CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000755009041 655878488 /nfs/dbraw/zinc/87/84/88/655878488.db2.gz SRECPHSYACXXSE-UHFFFAOYSA-N 1 1 376.226 2.958 20 5 GFBDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(F)(F)F ZINC000761533555 656018057 /nfs/dbraw/zinc/01/80/57/656018057.db2.gz ULOTZIIBTPIQAU-CYBMUJFWSA-N 1 1 378.738 2.521 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000769894098 656297902 /nfs/dbraw/zinc/29/79/02/656297902.db2.gz VLDCXOWQMGSWSB-GFCCVEGCSA-N 1 1 375.878 2.709 20 5 GFBDMO CC[N@H+]1CCCC[C@H]1CNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000779892202 656957617 /nfs/dbraw/zinc/95/76/17/656957617.db2.gz DRAOKFTYYNWJHQ-LBPRGKRZSA-N 1 1 375.878 2.709 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCc3ccc(Cl)nc32)cc1 ZINC000788740304 657780708 /nfs/dbraw/zinc/78/07/08/657780708.db2.gz QNRIJVHOGISALE-CQSZACIVSA-N 1 1 381.841 2.694 20 5 GFBDMO C[N@H+]1CCC[C@H](NC(=O)N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)C1 ZINC000790769934 658021360 /nfs/dbraw/zinc/02/13/60/658021360.db2.gz LZJUELMEOILUJO-NSHDSACASA-N 1 1 397.273 2.519 20 5 GFBDMO C[N@H+](C[C@H]1CCCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795422244 658816518 /nfs/dbraw/zinc/81/65/18/658816518.db2.gz HMRZKLWZAAUOOY-LLVKDONJSA-N 1 1 398.257 2.629 20 5 GFBDMO C[N@@H+](C[C@H]1CCCOC1)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000795422244 658816525 /nfs/dbraw/zinc/81/65/25/658816525.db2.gz HMRZKLWZAAUOOY-LLVKDONJSA-N 1 1 398.257 2.629 20 5 GFBDMO C[C@H](CNC(=O)c1cc([N+](=O)[O-])ncc1Br)[N@H+]1CCC[C@H](C)C1 ZINC000798160510 659076935 /nfs/dbraw/zinc/07/69/35/659076935.db2.gz KWHPOCMQEWPYOJ-WDEREUQCSA-N 1 1 385.262 2.603 20 5 GFBDMO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825602 659944300 /nfs/dbraw/zinc/94/43/00/659944300.db2.gz JNRBSPGZICIXQJ-UFBFGSQYSA-N 1 1 394.280 2.663 20 5 GFBDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809825602 659944302 /nfs/dbraw/zinc/94/43/02/659944302.db2.gz JNRBSPGZICIXQJ-UFBFGSQYSA-N 1 1 394.280 2.663 20 5 GFBDMO COCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000813440757 660054133 /nfs/dbraw/zinc/05/41/33/660054133.db2.gz PMRZXHWLPFDHER-NSHDSACASA-N 1 1 376.240 2.742 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000856257027 662027133 /nfs/dbraw/zinc/02/71/33/662027133.db2.gz RPQFORAVALXFDI-GFCCVEGCSA-N 1 1 388.251 2.573 20 5 GFBDMO C[N@H+]1CCCC[C@H]1CN1CCN(c2cccc(Br)c2[N+](=O)[O-])CC1 ZINC000856729886 662039282 /nfs/dbraw/zinc/03/92/82/662039282.db2.gz YPSRDUKXMBPWOZ-AWEZNQCLSA-N 1 1 397.317 2.964 20 5 GFBDMO C[NH+](C)[C@@H](CNC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)c1ccco1 ZINC000864510786 662377740 /nfs/dbraw/zinc/37/77/40/662377740.db2.gz FIGIVHGFQFDSDM-AWEZNQCLSA-N 1 1 396.241 2.912 20 5 GFBDMO CC[C@H]1C[N@H+](C)CCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000865926594 662451962 /nfs/dbraw/zinc/45/19/62/662451962.db2.gz WNBZQKNLXWINTN-NSHDSACASA-N 1 1 377.413 2.512 20 5 GFBDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000865926594 662451964 /nfs/dbraw/zinc/45/19/64/662451964.db2.gz WNBZQKNLXWINTN-NSHDSACASA-N 1 1 377.413 2.512 20 5 GFBDMO C[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1 ZINC000867307369 662541134 /nfs/dbraw/zinc/54/11/34/662541134.db2.gz ZCIWIZLXTIXFDW-LLVKDONJSA-N 1 1 382.258 2.666 20 5 GFBDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663007 662784208 /nfs/dbraw/zinc/78/42/08/662784208.db2.gz KPKUYNDXXQEUTP-VXGBXAGGSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000872663007 662784212 /nfs/dbraw/zinc/78/42/12/662784212.db2.gz KPKUYNDXXQEUTP-VXGBXAGGSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C(C)(C)C ZINC000880612318 662964111 /nfs/dbraw/zinc/96/41/11/662964111.db2.gz IERODRCKAFOQAA-GFCCVEGCSA-N 1 1 385.262 2.555 20 5 GFBDMO C[N@H+]1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)C[C@@H]1C(C)(C)C ZINC000880612318 662964113 /nfs/dbraw/zinc/96/41/13/662964113.db2.gz IERODRCKAFOQAA-GFCCVEGCSA-N 1 1 385.262 2.555 20 5 GFBDMO C[C@H]1C[C@H](NC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000883456802 663055345 /nfs/dbraw/zinc/05/53/45/663055345.db2.gz JPKJFOLSMUBOHG-GXFFZTMASA-N 1 1 385.262 2.639 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884952774 663079374 /nfs/dbraw/zinc/07/93/74/663079374.db2.gz QVNCKVCTBRAQEQ-WDEREUQCSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884952774 663079377 /nfs/dbraw/zinc/07/93/77/663079377.db2.gz QVNCKVCTBRAQEQ-WDEREUQCSA-N 1 1 394.280 2.807 20 5 GFBDMO C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(Br)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000889726944 663261344 /nfs/dbraw/zinc/26/13/44/663261344.db2.gz YQXVLFPBSGBACH-FZMZJTMJSA-N 1 1 399.289 2.981 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889756608 663263661 /nfs/dbraw/zinc/26/36/61/663263661.db2.gz PEPPCDZXZTWPQM-KBPBESRZSA-N 1 1 388.251 2.573 20 5 GFBDMO CN(C)c1[nH+]cc(CNC(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)n1C ZINC000896335576 663551681 /nfs/dbraw/zinc/55/16/81/663551681.db2.gz XCPJHTXLEYRKPG-UHFFFAOYSA-N 1 1 390.202 2.770 20 5 GFBDMO C[C@@H]([NH2+][C@H]1Cc2cc(Br)cnc2NC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000903327311 663782328 /nfs/dbraw/zinc/78/23/28/663782328.db2.gz ZQPNBUNAURKUJN-OTYXRUKQSA-N 1 1 391.225 2.966 20 5 GFBDMO C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@@]2(C)C1 ZINC000913282279 664331351 /nfs/dbraw/zinc/33/13/51/664331351.db2.gz FAFFHVCRYURFFR-IYBDPMFKSA-N 1 1 382.258 2.771 20 5 GFBDMO Cc1c(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc(Br)cc1[N+](=O)[O-] ZINC000931251823 664789307 /nfs/dbraw/zinc/78/93/07/664789307.db2.gz BOWOSHBOUNXWSM-HZMBPMFUSA-N 1 1 383.246 2.834 20 5 GFBDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000933437758 664864007 /nfs/dbraw/zinc/86/40/07/664864007.db2.gz FWIAVKFYRUZYDG-MFKMUULPSA-N 1 1 399.289 2.742 20 5 GFBDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])ccn1)CC2 ZINC001164709659 720095241 /nfs/dbraw/zinc/09/52/41/720095241.db2.gz BZHMPOQQLJYKGD-IBGZPJMESA-N 1 1 397.479 2.892 20 5 GFBDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ncc(F)cc3[N+](=O)[O-])C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839415 720520113 /nfs/dbraw/zinc/52/01/13/720520113.db2.gz UDAWPBMUSJCJQU-HYVNUMGLSA-N 1 1 388.447 2.703 20 5 GFBDMO Cc1nc(Cl)nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-] ZINC001164853947 720922106 /nfs/dbraw/zinc/92/21/06/720922106.db2.gz CKQCQPAOZQLGKF-LBPRGKRZSA-N 1 1 393.879 2.965 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)n1 ZINC001164767337 721108911 /nfs/dbraw/zinc/10/89/11/721108911.db2.gz MWWSSXLKWRUPDS-LSDHHAIUSA-N 1 1 390.875 2.643 20 5 GFBDMO Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164795676 721527214 /nfs/dbraw/zinc/52/72/14/721527214.db2.gz RFRQVZHWGLEBKU-HBFSDRIKSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-] ZINC001164795676 721527219 /nfs/dbraw/zinc/52/72/19/721527219.db2.gz RFRQVZHWGLEBKU-HBFSDRIKSA-N 1 1 383.452 2.561 20 5 GFBDMO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)ncc1[N+](=O)[O-] ZINC001165027293 721829189 /nfs/dbraw/zinc/82/91/89/721829189.db2.gz RVNAGPXHZGOFPM-CGTJXYLNSA-N 1 1 382.468 2.825 20 5 GFBDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935151 721888378 /nfs/dbraw/zinc/88/83/78/721888378.db2.gz WRMPSFQGLZTFDX-MSOLQXFVSA-N 1 1 381.480 2.871 20 5 GFBDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001164935151 721888380 /nfs/dbraw/zinc/88/83/80/721888380.db2.gz WRMPSFQGLZTFDX-MSOLQXFVSA-N 1 1 381.480 2.871 20 5 GFBDMO Cc1ccc(C[N@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])c(C)n4)CC3)C2)cc1 ZINC001164938667 721932744 /nfs/dbraw/zinc/93/27/44/721932744.db2.gz DEXHVNHDTCITEB-UHFFFAOYSA-N 1 1 397.479 2.873 20 5 GFBDMO O=[N+]([O-])c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164960465 722052576 /nfs/dbraw/zinc/05/25/76/722052576.db2.gz OKVHBBKODBUDSF-UHFFFAOYSA-N 1 1 383.452 2.504 20 5 GFBDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000152574316 551436111 /nfs/dbraw/zinc/43/61/11/551436111.db2.gz KIFTYLCMZHSEJL-OAHLLOKOSA-N 1 1 384.274 2.698 20 5 GFBDMO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000158317571 551550160 /nfs/dbraw/zinc/55/01/60/551550160.db2.gz BGGJFIASFCBIDZ-UHFFFAOYSA-N 1 1 383.589 2.868 20 5 GFBDMO O=c1c([N+](=O)[O-])cc(Br)cn1Cc1[nH+]ccn1Cc1ccccc1 ZINC000158352715 551550594 /nfs/dbraw/zinc/55/05/94/551550594.db2.gz QVQLDDGOVUBNHC-UHFFFAOYSA-N 1 1 389.209 2.812 20 5 GFBDMO CC[N@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000175394141 552120569 /nfs/dbraw/zinc/12/05/69/552120569.db2.gz ZUYNTEPHKJZXNI-LBPRGKRZSA-N 1 1 375.878 2.661 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000183728762 552318009 /nfs/dbraw/zinc/31/80/09/552318009.db2.gz NHKJSXZPTAOPMW-NEPJUHHUSA-N 1 1 375.878 2.660 20 5 GFBDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 ZINC000245677324 553094956 /nfs/dbraw/zinc/09/49/56/553094956.db2.gz IGXHHLZZXSNEAR-XHDPSFHLSA-N 1 1 382.258 2.914 20 5 GFBDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000249068163 553138572 /nfs/dbraw/zinc/13/85/72/553138572.db2.gz KKSFGEOQTCXNEJ-RYUDHWBXSA-N 1 1 375.878 2.647 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCCCC3)C2)s1 ZINC000301978438 563417547 /nfs/dbraw/zinc/41/75/47/563417547.db2.gz GPVFHBBEARKOIH-CYBMUJFWSA-N 1 1 387.527 2.905 20 5 GFBDMO C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425438327 563422439 /nfs/dbraw/zinc/42/24/39/563422439.db2.gz CXRMZHRTISSXOL-GFCCVEGCSA-N 1 1 386.290 2.634 20 5 GFBDMO O=C(Nc1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000375915678 563423575 /nfs/dbraw/zinc/42/35/75/563423575.db2.gz ZNDWOTIBXZXELU-HNNXBMFYSA-N 1 1 398.257 2.939 20 5 GFBDMO C[N@H+]1CCC[C@H]2CN(C(=O)c3sc(Br)cc3[N+](=O)[O-])CC[C@H]21 ZINC000376116299 563429883 /nfs/dbraw/zinc/42/98/83/563429883.db2.gz QCUXICRNSNCEGC-VHSXEESVSA-N 1 1 388.287 2.975 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)s2)cc1 ZINC000377695001 563483283 /nfs/dbraw/zinc/48/32/83/563483283.db2.gz LKQWDYAJYMKDCH-SUMWQHHRSA-N 1 1 378.475 2.942 20 5 GFBDMO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)s2)cc1 ZINC000377695001 563483285 /nfs/dbraw/zinc/48/32/85/563483285.db2.gz LKQWDYAJYMKDCH-SUMWQHHRSA-N 1 1 378.475 2.942 20 5 GFBDMO C[N@H+]1CCCC12CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)CC2 ZINC000378517045 563509893 /nfs/dbraw/zinc/50/98/93/563509893.db2.gz ZPKNAYHHGXLANM-UHFFFAOYSA-N 1 1 396.285 2.987 20 5 GFBDMO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000433006181 563600217 /nfs/dbraw/zinc/60/02/17/563600217.db2.gz GBAGZUPKDWCTTJ-SNVBAGLBSA-N 1 1 394.229 2.827 20 5 GFBDMO C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000440359678 563739732 /nfs/dbraw/zinc/73/97/32/563739732.db2.gz WODRACMGOBYOSB-DTWKUNHWSA-N 1 1 382.269 2.568 20 5 GFBDMO C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000440359680 563739953 /nfs/dbraw/zinc/73/99/53/563739953.db2.gz WODRACMGOBYOSB-RKDXNWHRSA-N 1 1 382.269 2.568 20 5 GFBDMO CC1(C)CCC[N@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443993687 563817536 /nfs/dbraw/zinc/81/75/36/563817536.db2.gz QEVRFLQGECMHEV-UHFFFAOYSA-N 1 1 375.878 2.649 20 5 GFBDMO CC1(C)CCC[N@@H+](CCNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000443993687 563817538 /nfs/dbraw/zinc/81/75/38/563817538.db2.gz QEVRFLQGECMHEV-UHFFFAOYSA-N 1 1 375.878 2.649 20 5 GFBDMO CC[N@H+]1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000564400083 564231531 /nfs/dbraw/zinc/23/15/31/564231531.db2.gz PDOLKYLWZBXLKE-LLVKDONJSA-N 1 1 389.237 2.725 20 5 GFBDMO Cc1c(Br)c(=O)n(CC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000450905370 564254736 /nfs/dbraw/zinc/25/47/36/564254736.db2.gz NZBRASOABKFGJS-UHFFFAOYSA-N 1 1 380.242 2.959 20 5 GFBDMO Cc1c(Br)cc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000510476801 564334551 /nfs/dbraw/zinc/33/45/51/564334551.db2.gz RMQGQKKQLUUMLS-XPTSAGLGSA-N 1 1 382.258 2.878 20 5 GFBDMO CN(C)c1cc[nH+]c(NCc2cc(I)cc([N+](=O)[O-])c2)n1 ZINC000567319071 564366195 /nfs/dbraw/zinc/36/61/95/564366195.db2.gz KFURZZQGMHIPGH-UHFFFAOYSA-N 1 1 399.192 2.668 20 5 GFBDMO Cn1cc(Br)c(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000453312652 564453130 /nfs/dbraw/zinc/45/31/30/564453130.db2.gz VPVBEIMWSBMIKV-WCQYABFASA-N 1 1 383.250 2.561 20 5 GFBDMO Cc1c(Br)cc(-c2nc([C@@H]3C[N@@H+](C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546505459 564457521 /nfs/dbraw/zinc/45/75/21/564457521.db2.gz YJMJFLROCSOFBU-ZDUSSCGKSA-N 1 1 396.245 2.634 20 5 GFBDMO Cc1c(Br)cc(-c2nc([C@@H]3C[N@H+](C)CCN3C)no2)cc1[N+](=O)[O-] ZINC000546505459 564457525 /nfs/dbraw/zinc/45/75/25/564457525.db2.gz YJMJFLROCSOFBU-ZDUSSCGKSA-N 1 1 396.245 2.634 20 5 GFBDMO CC[N@H+]1CC[C@@H](CNCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000573253357 564629907 /nfs/dbraw/zinc/62/99/07/564629907.db2.gz JPKGKXMFFCTVBJ-NSHDSACASA-N 1 1 389.237 2.631 20 5 GFBDMO CC[N@@H+](CCNc1c(Br)cncc1[N+](=O)[O-])CCC(F)(F)F ZINC000491864153 564796419 /nfs/dbraw/zinc/79/64/19/564796419.db2.gz FLKVENCBHRPGIM-UHFFFAOYSA-N 1 1 385.184 2.860 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462523662 564845264 /nfs/dbraw/zinc/84/52/64/564845264.db2.gz FJVPYWAXWPEOKC-NWDGAFQWSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000462523662 564845265 /nfs/dbraw/zinc/84/52/65/564845265.db2.gz FJVPYWAXWPEOKC-NWDGAFQWSA-N 1 1 394.280 2.807 20 5 GFBDMO Cc1cccc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2Br)[nH+]1 ZINC000469584433 565021576 /nfs/dbraw/zinc/02/15/76/565021576.db2.gz GOGTWQJFLBRBET-UHFFFAOYSA-N 1 1 379.214 2.903 20 5 GFBDMO O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000594854430 565430561 /nfs/dbraw/zinc/43/05/61/565430561.db2.gz KJQISJGBJKOAGW-GFCCVEGCSA-N 1 1 387.889 2.934 20 5 GFBDMO C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CS1(=O)=O ZINC000594973721 565438289 /nfs/dbraw/zinc/43/82/89/565438289.db2.gz DNZWMVDFEJTNQZ-WCQYABFASA-N 1 1 381.479 2.774 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(C)COC1 ZINC000599572650 565689228 /nfs/dbraw/zinc/68/92/28/565689228.db2.gz DKNYBTJXUWJGGH-UHFFFAOYSA-N 1 1 376.194 2.668 20 5 GFBDMO O=C(c1c(Br)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000599838817 565704841 /nfs/dbraw/zinc/70/48/41/565704841.db2.gz BLIGXPZXUSJBGQ-RYUDHWBXSA-N 1 1 386.221 2.616 20 5 GFBDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1=O ZINC000602701348 565863982 /nfs/dbraw/zinc/86/39/82/565863982.db2.gz JOSQBYKYKVWDNS-SNVBAGLBSA-N 1 1 376.276 2.908 20 5 GFBDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000736201880 598252550 /nfs/dbraw/zinc/25/25/50/598252550.db2.gz ISMVZBLIMDKCIG-AWEZNQCLSA-N 1 1 379.424 2.658 20 5 GFBDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)c(-c2nn[nH]n2)c1 ZINC000823639762 607039076 /nfs/dbraw/zinc/03/90/76/607039076.db2.gz HFLNRWXJQYZLPL-UHFFFAOYSA-N 1 1 399.842 2.751 20 5 GFBDMO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000829572837 660601468 /nfs/dbraw/zinc/60/14/68/660601468.db2.gz ZMXHEZAXXLCUGI-LLVKDONJSA-N 1 1 377.413 2.510 20 5 GFBDMO CC(C)[N@H+]1CC[C@@H](N(C)c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])C1 ZINC000829572837 660601473 /nfs/dbraw/zinc/60/14/73/660601473.db2.gz ZMXHEZAXXLCUGI-LLVKDONJSA-N 1 1 377.413 2.510 20 5 GFBDMO O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1Cl ZINC000830002434 660629262 /nfs/dbraw/zinc/62/92/62/660629262.db2.gz KDUPTIGFECWDMO-QWRGUYRKSA-N 1 1 394.280 2.807 20 5 GFBDMO Cc1sc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000122830591 654744215 /nfs/dbraw/zinc/74/42/15/654744215.db2.gz XPJSCPDLEHAVHQ-AWEZNQCLSA-N 1 1 387.458 2.685 20 5 GFBDMO O=C(OCC[NH+]1CCSCC1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000153605984 655068790 /nfs/dbraw/zinc/06/87/90/655068790.db2.gz UBRWMNJGQBVNKL-UHFFFAOYSA-N 1 1 375.244 2.563 20 5 GFBDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000273149348 655132369 /nfs/dbraw/zinc/13/23/69/655132369.db2.gz XFCXMNLLUIBTRA-CYBMUJFWSA-N 1 1 378.738 2.521 20 5 GFBDMO CN(CC[C@H]1CCCC[N@H+]1C)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000173670586 655175906 /nfs/dbraw/zinc/17/59/06/655175906.db2.gz IYZPDMLSRHGOLL-CYBMUJFWSA-N 1 1 375.878 2.743 20 5 GFBDMO CCCCC[N@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000120117346 655328313 /nfs/dbraw/zinc/32/83/13/655328313.db2.gz XLFLGYLIZLNUDU-UHFFFAOYSA-N 1 1 388.262 2.780 20 5 GFBDMO CCCCC[N@@H+](CCO)CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000120117346 655328316 /nfs/dbraw/zinc/32/83/16/655328316.db2.gz XLFLGYLIZLNUDU-UHFFFAOYSA-N 1 1 388.262 2.780 20 5 GFBDMO Cc1c(Br)c(NCCc2cn3c([nH+]2)CCCC3)ncc1[N+](=O)[O-] ZINC000541591556 655421315 /nfs/dbraw/zinc/42/13/15/655421315.db2.gz NBJQDYAOTXFCQD-UHFFFAOYSA-N 1 1 380.246 2.670 20 5 GFBDMO CC[N@H+]1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000740893720 655700381 /nfs/dbraw/zinc/70/03/81/655700381.db2.gz BSWAOAOUZUOSSU-WCQYABFASA-N 1 1 375.878 2.742 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000766208143 656165203 /nfs/dbraw/zinc/16/52/03/656165203.db2.gz WGPODYPKTYTPRL-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000766208143 656165206 /nfs/dbraw/zinc/16/52/06/656165206.db2.gz WGPODYPKTYTPRL-ZDUSSCGKSA-N 1 1 387.889 2.852 20 5 GFBDMO Cc1c[nH+]ccc1OC1CCN(Cn2cc(Br)c([N+](=O)[O-])n2)CC1 ZINC000773343173 656414597 /nfs/dbraw/zinc/41/45/97/656414597.db2.gz ZPDCFIMTAVQZKM-UHFFFAOYSA-N 1 1 396.245 2.758 20 5 GFBDMO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc(I)cn1 ZINC000795643261 658839050 /nfs/dbraw/zinc/83/90/50/658839050.db2.gz BVEXVEUNKPBJQN-UHFFFAOYSA-N 1 1 386.193 2.528 20 5 GFBDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cn1cc(I)cn1 ZINC000795643261 658839052 /nfs/dbraw/zinc/83/90/52/658839052.db2.gz BVEXVEUNKPBJQN-UHFFFAOYSA-N 1 1 386.193 2.528 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N[C@H]2CCC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000797832923 659058164 /nfs/dbraw/zinc/05/81/64/659058164.db2.gz SDCCSARHPOHQPU-LBPRGKRZSA-N 1 1 375.878 2.708 20 5 GFBDMO CCCC[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046737 660106975 /nfs/dbraw/zinc/10/69/75/660106975.db2.gz CYDRJAZOONUFJK-SNVBAGLBSA-N 1 1 381.857 2.786 20 5 GFBDMO COC(=O)[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2Br)C[C@H]1C1CC1 ZINC000844479946 661422382 /nfs/dbraw/zinc/42/23/82/661422382.db2.gz VHLBVIHSBLIGOK-QWHCGFSZSA-N 1 1 383.242 2.988 20 5 GFBDMO O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([N+](=O)[O-])ncc1Br ZINC000856480331 662035641 /nfs/dbraw/zinc/03/56/41/662035641.db2.gz RVNZJMAZTVFIGB-LBPRGKRZSA-N 1 1 397.273 2.604 20 5 GFBDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000874827213 662837617 /nfs/dbraw/zinc/83/76/17/662837617.db2.gz YBJILFMRYLHTNA-KGLIPLIRSA-N 1 1 382.258 2.595 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000881931851 663010109 /nfs/dbraw/zinc/01/01/09/663010109.db2.gz DGTLUSOEDPSHGP-NWDGAFQWSA-N 1 1 375.878 2.660 20 5 GFBDMO CC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)C1 ZINC000881953488 663010864 /nfs/dbraw/zinc/01/08/64/663010864.db2.gz AAQAEPQGSVBSBO-LBPRGKRZSA-N 1 1 375.878 2.519 20 5 GFBDMO O=[N+]([O-])c1cc(Br)ccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000883295718 663052584 /nfs/dbraw/zinc/05/25/84/663052584.db2.gz QQCIGMBBHPYXLL-OAHLLOKOSA-N 1 1 384.274 2.700 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1 ZINC000895090322 663499266 /nfs/dbraw/zinc/49/92/66/663499266.db2.gz LOPLXCIDJGTCMT-ZDUSSCGKSA-N 1 1 382.825 2.573 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722109 663525648 /nfs/dbraw/zinc/52/56/48/663525648.db2.gz RTRPQBMCMUVKDX-GFCCVEGCSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cccc(Br)c1C[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895722109 663525651 /nfs/dbraw/zinc/52/56/51/663525651.db2.gz RTRPQBMCMUVKDX-GFCCVEGCSA-N 1 1 385.258 2.721 20 5 GFBDMO CN(c1cccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1)S(C)(=O)=O ZINC000898287330 663642231 /nfs/dbraw/zinc/64/22/31/663642231.db2.gz VALZUWYKCHPAIU-UHFFFAOYSA-N 1 1 383.857 2.934 20 5 GFBDMO COc1c(C)[nH]cc(C[N@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)c1=O ZINC000931324261 664791886 /nfs/dbraw/zinc/79/18/86/664791886.db2.gz ADCYAIFLGMWDFN-UHFFFAOYSA-N 1 1 396.241 2.995 20 5 GFBDMO COc1c(C)[nH]cc(C[N@@H+](C)Cc2ccc(Br)c([N+](=O)[O-])c2)c1=O ZINC000931324261 664791887 /nfs/dbraw/zinc/79/18/87/664791887.db2.gz ADCYAIFLGMWDFN-UHFFFAOYSA-N 1 1 396.241 2.995 20 5 GFBDMO O=C1N[C@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3Br)CC2)CO1 ZINC000932770420 664836456 /nfs/dbraw/zinc/83/64/56/664836456.db2.gz KVKGPKNNCPNHGI-LBPRGKRZSA-N 1 1 384.230 2.678 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cccc([N+](=O)[O-])c31)C2 ZINC001164818467 720193399 /nfs/dbraw/zinc/19/33/99/720193399.db2.gz SWAFUSXNRQZWBO-IIBYNOLFSA-N 1 1 397.479 2.723 20 5 GFBDMO C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164791947 721497099 /nfs/dbraw/zinc/49/70/99/721497099.db2.gz GEPZCACJDFWPHQ-UHFFFAOYSA-N 1 1 382.468 2.848 20 5 GFBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164905802 721545809 /nfs/dbraw/zinc/54/58/09/721545809.db2.gz IJYHREVXUPKYJE-GOEBONIOSA-N 1 1 397.410 2.952 20 5 GFBDMO O=[N+]([O-])c1cc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2[nH]ccc21 ZINC001164905803 721546100 /nfs/dbraw/zinc/54/61/00/721546100.db2.gz IJYHREVXUPKYJE-HOCLYGCPSA-N 1 1 397.410 2.952 20 5 GFBDMO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443115 222146469 /nfs/dbraw/zinc/14/64/69/222146469.db2.gz NNEZXIQODABEAM-CQSZACIVSA-N 1 1 394.435 2.844 20 5 GFBDMO C[N@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064958147 551185462 /nfs/dbraw/zinc/18/54/62/551185462.db2.gz QQFYUDXCUDXDMG-UHFFFAOYSA-N 1 1 383.857 2.659 20 5 GFBDMO C[N@@H+](CCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000064958147 551185463 /nfs/dbraw/zinc/18/54/63/551185463.db2.gz QQFYUDXCUDXDMG-UHFFFAOYSA-N 1 1 383.857 2.659 20 5 GFBDMO C[C@H]1C[C@@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)C[N@H+]1C1CC1 ZINC000127563950 551342092 /nfs/dbraw/zinc/34/20/92/551342092.db2.gz MPFPOYJDHSPWNU-CMPLNLGQSA-N 1 1 382.258 2.641 20 5 GFBDMO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152363637 551431415 /nfs/dbraw/zinc/43/14/15/551431415.db2.gz PRZAXGRVXNVNRO-GFCCVEGCSA-N 1 1 399.289 2.569 20 5 GFBDMO C[C@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000158537070 551553247 /nfs/dbraw/zinc/55/32/47/551553247.db2.gz UDODTDQDWNSGGG-LBPRGKRZSA-N 1 1 387.889 2.886 20 5 GFBDMO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCO1 ZINC000172172196 551671906 /nfs/dbraw/zinc/67/19/06/551671906.db2.gz ZIKOHVRPWOPEHB-GFCCVEGCSA-N 1 1 386.246 2.797 20 5 GFBDMO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C[C@H]1CCCO1 ZINC000172172196 551671907 /nfs/dbraw/zinc/67/19/07/551671907.db2.gz ZIKOHVRPWOPEHB-GFCCVEGCSA-N 1 1 386.246 2.797 20 5 GFBDMO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)S(=O)(=O)c1cccs1 ZINC000184033156 552325786 /nfs/dbraw/zinc/32/57/86/552325786.db2.gz BKLGLECXMKKJCX-UHFFFAOYSA-N 1 1 389.886 2.720 20 5 GFBDMO C[N@H+]1CC[C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000369539349 563216245 /nfs/dbraw/zinc/21/62/45/563216245.db2.gz IAPKAXXKRVGUHP-BLLLJJGKSA-N 1 1 381.479 2.628 20 5 GFBDMO O=[N+]([O-])c1ccc(S(=O)(=O)NCCNc2cc[nH+]c3ccsc32)cc1 ZINC000301368740 563401596 /nfs/dbraw/zinc/40/15/96/563401596.db2.gz OROHFNONHKMAMI-UHFFFAOYSA-N 1 1 378.435 2.595 20 5 GFBDMO C[C@H]1C[C@H]([NH+]2CCOCC2)CN1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425462077 563423676 /nfs/dbraw/zinc/42/36/76/563423676.db2.gz VYMIYRTVPOTUSC-WFASDCNBSA-N 1 1 384.274 2.652 20 5 GFBDMO Cc1[nH+]ccn1CCCN(C)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290763359 563720762 /nfs/dbraw/zinc/72/07/62/563720762.db2.gz NSHGTHZUPKKGPZ-UHFFFAOYSA-N 1 1 390.824 2.603 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363517270 563725043 /nfs/dbraw/zinc/72/50/43/563725043.db2.gz ZOZXNLFHONBVRV-QWRGUYRKSA-N 1 1 375.397 2.630 20 5 GFBDMO C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000363595306 563727449 /nfs/dbraw/zinc/72/74/49/563727449.db2.gz NKBIPKDVRRLWDF-DZGCQCFKSA-N 1 1 381.523 2.725 20 5 GFBDMO C[N@@H+](CCCO)C1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000291527703 563746602 /nfs/dbraw/zinc/74/66/02/563746602.db2.gz ALBJQEBXLOWFAE-UHFFFAOYSA-N 1 1 390.267 2.820 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)cc1[N+](=O)[O-] ZINC000416366968 563818322 /nfs/dbraw/zinc/81/83/22/563818322.db2.gz DYCPIWKXXPKJSA-OAHLLOKOSA-N 1 1 383.495 2.854 20 5 GFBDMO O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c([N+](=O)[O-])c2)CN1 ZINC000367543119 563847719 /nfs/dbraw/zinc/84/77/19/563847719.db2.gz XWPVFFUTEDHDLG-GXTWGEPZSA-N 1 1 382.258 2.848 20 5 GFBDMO CC(C)[N@@H+](C)CC1CCN(c2sc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 ZINC000539198155 564213175 /nfs/dbraw/zinc/21/31/75/564213175.db2.gz WQZQBJHASDRMCQ-UHFFFAOYSA-N 1 1 375.516 2.616 20 5 GFBDMO Cc1c(Br)cc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000510476802 564334691 /nfs/dbraw/zinc/33/46/91/564334691.db2.gz RMQGQKKQLUUMLS-YMTOWFKASA-N 1 1 382.258 2.878 20 5 GFBDMO CC(C)[N@@H+](C)CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000520443564 564604522 /nfs/dbraw/zinc/60/45/22/564604522.db2.gz CXWRBQYDUDARMS-UHFFFAOYSA-N 1 1 389.905 2.989 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462494053 564843619 /nfs/dbraw/zinc/84/36/19/564843619.db2.gz XEBMJTSKESYLCR-PSASIEDQSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462494053 564843620 /nfs/dbraw/zinc/84/36/20/564843620.db2.gz XEBMJTSKESYLCR-PSASIEDQSA-N 1 1 382.269 2.663 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000462523664 564845444 /nfs/dbraw/zinc/84/54/44/564845444.db2.gz FJVPYWAXWPEOKC-VXGBXAGGSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000462523664 564845447 /nfs/dbraw/zinc/84/54/47/564845447.db2.gz FJVPYWAXWPEOKC-VXGBXAGGSA-N 1 1 394.280 2.807 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC1(O)CCC1 ZINC000558459854 564901420 /nfs/dbraw/zinc/90/14/20/564901420.db2.gz QNPMNDCLZPTZMS-UHFFFAOYSA-N 1 1 376.194 2.546 20 5 GFBDMO Cc1sc(S(=O)(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1[N+](=O)[O-] ZINC000467068818 564954660 /nfs/dbraw/zinc/95/46/60/564954660.db2.gz MWPKTNKUMIYTHN-GXTWGEPZSA-N 1 1 385.511 2.602 20 5 GFBDMO CCC[N@H+]1CC[C@H](NCc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992121 565439892 /nfs/dbraw/zinc/43/98/92/565439892.db2.gz PAGIBVZPNGAUKX-ZDUSSCGKSA-N 1 1 389.237 2.773 20 5 GFBDMO CCCN1CC[C@H]([NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000594992121 565439897 /nfs/dbraw/zinc/43/98/97/565439897.db2.gz PAGIBVZPNGAUKX-ZDUSSCGKSA-N 1 1 389.237 2.773 20 5 GFBDMO Cc1ccc(S(=O)(=O)NC[C@H](c2ccsc2)[NH+](C)C)c(C)c1[N+](=O)[O-] ZINC000598597711 565628905 /nfs/dbraw/zinc/62/89/05/565628905.db2.gz UIBRQSAHOUXPRH-CQSZACIVSA-N 1 1 383.495 2.854 20 5 GFBDMO COCC[N@H+]1CCC[C@H](NC(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000612285765 566156864 /nfs/dbraw/zinc/15/68/64/566156864.db2.gz DMPWAGYTFJWFOU-ZDUSSCGKSA-N 1 1 387.889 2.567 20 5 GFBDMO CC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825399412 607553408 /nfs/dbraw/zinc/55/34/08/607553408.db2.gz SEJBIGLKGFXUKC-SCLBCKFNSA-N 1 1 382.424 2.891 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000125477574 654796066 /nfs/dbraw/zinc/79/60/66/654796066.db2.gz VFMWQNFQEZFJTI-UHFFFAOYSA-N 1 1 387.889 2.806 20 5 GFBDMO O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000267940693 654953358 /nfs/dbraw/zinc/95/33/58/654953358.db2.gz RXJLIQLSESAMMX-NEPJUHHUSA-N 1 1 386.221 2.853 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cs1 ZINC000119346318 655299918 /nfs/dbraw/zinc/29/99/18/655299918.db2.gz AEUQGAUEVREHNH-HNNXBMFYSA-N 1 1 381.479 2.772 20 5 GFBDMO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000729481687 655564753 /nfs/dbraw/zinc/56/47/53/655564753.db2.gz HTRHKKKJNNBBLB-LBPRGKRZSA-N 1 1 375.878 2.791 20 5 GFBDMO O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1cc(Br)cc([N+](=O)[O-])c1Cl ZINC000750855111 655818044 /nfs/dbraw/zinc/81/80/44/655818044.db2.gz XDGUQOLELJSOFU-SECBINFHSA-N 1 1 388.649 2.977 20 5 GFBDMO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)c1cc(F)cc([N+](=O)[O-])c1Br ZINC000754637774 655870700 /nfs/dbraw/zinc/87/07/00/655870700.db2.gz XXLZJYGITZEAMJ-NSHDSACASA-N 1 1 386.221 2.711 20 5 GFBDMO C[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC000791422453 658096236 /nfs/dbraw/zinc/09/62/36/658096236.db2.gz GDPMDNRSPPKIJA-SNVBAGLBSA-N 1 1 396.296 2.912 20 5 GFBDMO O=C([C@@H]1CC[N@@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000809772097 659938418 /nfs/dbraw/zinc/93/84/18/659938418.db2.gz SKDUXUGISUFBKM-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C([C@@H]1CC[N@H+](Cc2c(Br)cccc2[N+](=O)[O-])C1)N1CCCC1 ZINC000809772097 659938427 /nfs/dbraw/zinc/93/84/27/659938427.db2.gz SKDUXUGISUFBKM-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000812328390 660024176 /nfs/dbraw/zinc/02/41/76/660024176.db2.gz CNZKWVKGDSXAPP-NEPJUHHUSA-N 1 1 382.258 2.689 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000849411603 661718528 /nfs/dbraw/zinc/71/85/28/661718528.db2.gz OWWXPFNKYRUJND-LBPRGKRZSA-N 1 1 389.905 2.955 20 5 GFBDMO C[C@]1(Br)C[C@@H]1C(=O)O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780579 662215069 /nfs/dbraw/zinc/21/50/69/662215069.db2.gz LKBFKNIVUGOWEL-LZWOXQAQSA-N 1 1 383.242 2.886 20 5 GFBDMO C[C@]1(Br)C[C@@H]1C(=O)O[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000860780579 662215075 /nfs/dbraw/zinc/21/50/75/662215075.db2.gz LKBFKNIVUGOWEL-LZWOXQAQSA-N 1 1 383.242 2.886 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000866193507 662463959 /nfs/dbraw/zinc/46/39/59/662463959.db2.gz MZERYMUWNCIHCL-CYBMUJFWSA-N 1 1 384.274 2.700 20 5 GFBDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662105 662784141 /nfs/dbraw/zinc/78/41/41/662784141.db2.gz BQVVRDMHZSGTGD-NWDGAFQWSA-N 1 1 394.280 2.759 20 5 GFBDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000872662105 662784144 /nfs/dbraw/zinc/78/41/44/662784144.db2.gz BQVVRDMHZSGTGD-NWDGAFQWSA-N 1 1 394.280 2.759 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)ccc1Br ZINC000880584353 662963198 /nfs/dbraw/zinc/96/31/98/662963198.db2.gz IZLQHMBMJVGTIO-ZDUSSCGKSA-N 1 1 385.258 2.721 20 5 GFBDMO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)ccc1Br ZINC000880584353 662963204 /nfs/dbraw/zinc/96/32/04/662963204.db2.gz IZLQHMBMJVGTIO-ZDUSSCGKSA-N 1 1 385.258 2.721 20 5 GFBDMO C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000883741311 663060119 /nfs/dbraw/zinc/06/01/19/663060119.db2.gz GMRZERPJNCUPKT-LBPRGKRZSA-N 1 1 399.289 2.888 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000884952765 663079459 /nfs/dbraw/zinc/07/94/59/663079459.db2.gz QVNCKVCTBRAQEQ-GHMZBOCLSA-N 1 1 394.280 2.807 20 5 GFBDMO O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000884952765 663079460 /nfs/dbraw/zinc/07/94/60/663079460.db2.gz QVNCKVCTBRAQEQ-GHMZBOCLSA-N 1 1 394.280 2.807 20 5 GFBDMO CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000894712351 663477602 /nfs/dbraw/zinc/47/76/02/663477602.db2.gz QZVBWFNZHCYLJP-UHFFFAOYSA-N 1 1 383.857 2.788 20 5 GFBDMO CCc1[nH+]ccn1Cc1cn(Cc2c(Br)cccc2[N+](=O)[O-])nn1 ZINC000900640880 663718616 /nfs/dbraw/zinc/71/86/16/663718616.db2.gz FSQNCENEUDRATK-UHFFFAOYSA-N 1 1 391.229 2.804 20 5 GFBDMO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931094 664231419 /nfs/dbraw/zinc/23/14/19/664231419.db2.gz NHQSTHNQDOIOQM-DTWKUNHWSA-N 1 1 394.230 2.568 20 5 GFBDMO C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl ZINC000910931094 664231421 /nfs/dbraw/zinc/23/14/21/664231421.db2.gz NHQSTHNQDOIOQM-DTWKUNHWSA-N 1 1 394.230 2.568 20 5 GFBDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc([N+](=O)[O-])cc1Br ZINC000923283255 664627478 /nfs/dbraw/zinc/62/74/78/664627478.db2.gz ZFYPUAONTGXCIA-GXTWGEPZSA-N 1 1 382.258 2.595 20 5 GFBDMO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)ccc1Br ZINC000933055001 664848259 /nfs/dbraw/zinc/84/82/59/664848259.db2.gz AUEDARAFARNHEE-CYBMUJFWSA-N 1 1 385.258 2.863 20 5 GFBDMO Cc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)n1 ZINC001164647083 719308366 /nfs/dbraw/zinc/30/83/66/719308366.db2.gz KGKHVHQIGADAPV-UHFFFAOYSA-N 1 1 393.879 2.748 20 5 GFBDMO Nc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)ccc1[N+](=O)[O-] ZINC001164696234 719894691 /nfs/dbraw/zinc/89/46/91/719894691.db2.gz DCLGEWUIUAPQCZ-UHFFFAOYSA-N 1 1 389.481 2.505 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)ncc1[N+](=O)[O-])C2 ZINC001164808489 720085454 /nfs/dbraw/zinc/08/54/54/720085454.db2.gz HRMDUKUEFNNPDM-KDOFPFPSSA-N 1 1 380.876 2.828 20 5 GFBDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)C2 ZINC001164811095 720108048 /nfs/dbraw/zinc/10/80/48/720108048.db2.gz LJIFZLVQFDMZSF-IIBYNOLFSA-N 1 1 397.479 2.723 20 5 GFBDMO C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2 ZINC001164843650 720698541 /nfs/dbraw/zinc/69/85/41/720698541.db2.gz PUEWCQATYUJRGQ-KRWDZBQOSA-N 1 1 397.479 2.832 20 5 GFBDMO COc1nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)ccc1[N+](=O)[O-] ZINC001164953130 722014686 /nfs/dbraw/zinc/01/46/86/722014686.db2.gz RZGPTCHIXVRBCE-UHFFFAOYSA-N 1 1 383.452 2.886 20 5 GFBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000359893833 212121834 /nfs/dbraw/zinc/12/18/34/212121834.db2.gz DENOQTKIICTSHU-UZLBHIALSA-N 1 1 398.463 2.660 20 5 GFBDMO Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000359893833 212121838 /nfs/dbraw/zinc/12/18/38/212121838.db2.gz DENOQTKIICTSHU-UZLBHIALSA-N 1 1 398.463 2.660 20 5 GFBDMO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000169311291 136197078 /nfs/dbraw/zinc/19/70/78/136197078.db2.gz ZXGGMLNZGQTFRL-UHFFFAOYSA-N 1 1 383.374 2.941 20 5 GFBDMO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000067443113 222147115 /nfs/dbraw/zinc/14/71/15/222147115.db2.gz NNEZXIQODABEAM-AWEZNQCLSA-N 1 1 394.435 2.844 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000124279124 551312826 /nfs/dbraw/zinc/31/28/26/551312826.db2.gz GGLWSJWPNOERTI-AAEUAGOBSA-N 1 1 375.878 2.517 20 5 GFBDMO NC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1 ZINC000157150715 551533899 /nfs/dbraw/zinc/53/38/99/551533899.db2.gz IJDMSVVSYSBXHI-JTQLQIEISA-N 1 1 394.225 2.925 20 5 GFBDMO C[C@@H]1CCC[N@H+]1C1CCN(S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000158564711 551553709 /nfs/dbraw/zinc/55/37/09/551553709.db2.gz BSVVGYQRWGLFME-GFCCVEGCSA-N 1 1 387.889 2.886 20 5 GFBDMO C[C@H](c1ccccc1Br)[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000246952049 553115741 /nfs/dbraw/zinc/11/57/41/553115741.db2.gz ATZDGYRAUDXKCX-DGCLKSJQSA-N 1 1 383.246 2.608 20 5 GFBDMO Cc1cc(Cl)c(S(=O)(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246930679 553115783 /nfs/dbraw/zinc/11/57/83/553115783.db2.gz HBZAUZNCFMGFML-JSGCOSHPSA-N 1 1 387.889 2.661 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261744600 553158153 /nfs/dbraw/zinc/15/81/53/553158153.db2.gz TWXFVYDRRSNYFM-UHFFFAOYSA-N 1 1 381.841 2.855 20 5 GFBDMO C[N@@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000295200324 563234614 /nfs/dbraw/zinc/23/46/14/563234614.db2.gz SKQPYNRFKVCPKT-CABZTGNLSA-N 1 1 394.280 2.616 20 5 GFBDMO C[N@H+]1CC[C@H]2CCN(S(=O)(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)[C@H]2C1 ZINC000295200324 563234615 /nfs/dbraw/zinc/23/46/15/563234615.db2.gz SKQPYNRFKVCPKT-CABZTGNLSA-N 1 1 394.280 2.616 20 5 GFBDMO CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2CCCCCC2)s1 ZINC000375276910 563398088 /nfs/dbraw/zinc/39/80/88/563398088.db2.gz VJKIVXJWAOIXAG-CYBMUJFWSA-N 1 1 387.527 2.905 20 5 GFBDMO C[N@H+]1CCC[C@@H](N2CCN(c3ccc(Br)cc3[N+](=O)[O-])CC2)C1 ZINC000301305364 563400237 /nfs/dbraw/zinc/40/02/37/563400237.db2.gz UGFPWYFCULNPEO-CQSZACIVSA-N 1 1 383.290 2.574 20 5 GFBDMO O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2[N+](=O)[O-])CN1 ZINC000425425033 563421263 /nfs/dbraw/zinc/42/12/63/563421263.db2.gz SXASKZZZZUXVHW-OCCSQVGLSA-N 1 1 382.258 2.848 20 5 GFBDMO C[C@@H]1CN(c2ccc(I)cc2[N+](=O)[O-])C[C@H](C)[N@@H+]1C ZINC000302227913 563423429 /nfs/dbraw/zinc/42/34/29/563423429.db2.gz VBSZVPOVNQAWBI-AOOOYVTPSA-N 1 1 375.210 2.728 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000283851691 563457040 /nfs/dbraw/zinc/45/70/40/563457040.db2.gz GJILFSHUABUZHP-NSHDSACASA-N 1 1 382.258 2.880 20 5 GFBDMO Cc1[nH+]ccn1CCCNC(=O)c1cc([N+](=O)[O-])cc(Br)c1C ZINC000284042984 563462141 /nfs/dbraw/zinc/46/21/41/563462141.db2.gz PAKWSGIHOKECKO-UHFFFAOYSA-N 1 1 381.230 2.991 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c(Cl)cc1Cl ZINC000377887871 563490357 /nfs/dbraw/zinc/49/03/57/563490357.db2.gz HLKNTERWWUMBQA-SNVBAGLBSA-N 1 1 394.280 2.760 20 5 GFBDMO Cn1c[nH+]cc1CCc1nc(Cc2ccc([N+](=O)[O-])cc2Br)no1 ZINC000289966513 563692695 /nfs/dbraw/zinc/69/26/95/563692695.db2.gz CLAQUKPGHUSFND-UHFFFAOYSA-N 1 1 392.213 2.850 20 5 GFBDMO C[NH+](C)CCN(Cc1ccsc1)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000413462114 563693463 /nfs/dbraw/zinc/69/34/63/563693463.db2.gz WMOQWXVODDQMAP-UHFFFAOYSA-N 1 1 389.524 2.690 20 5 GFBDMO COc1cc(C[N@H+](C)CCn2cc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000290251511 563702509 /nfs/dbraw/zinc/70/25/09/563702509.db2.gz VUPUBDQYOFNFRE-UHFFFAOYSA-N 1 1 399.245 2.703 20 5 GFBDMO COc1cc(C[N@@H+](C)CCn2cc(Br)cn2)c([N+](=O)[O-])cc1OC ZINC000290251511 563702512 /nfs/dbraw/zinc/70/25/12/563702512.db2.gz VUPUBDQYOFNFRE-UHFFFAOYSA-N 1 1 399.245 2.703 20 5 GFBDMO C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000440359679 563740118 /nfs/dbraw/zinc/74/01/18/563740118.db2.gz WODRACMGOBYOSB-IUCAKERBSA-N 1 1 382.269 2.568 20 5 GFBDMO C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)CC(C)(C)CO ZINC000449428800 564185792 /nfs/dbraw/zinc/18/57/92/564185792.db2.gz UFJRALOKYBPXEJ-UHFFFAOYSA-N 1 1 378.210 2.650 20 5 GFBDMO Cc1c(Cl)cc(S(=O)(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000452091087 564391033 /nfs/dbraw/zinc/39/10/33/564391033.db2.gz AXNDKSRMBIBHNV-GFCCVEGCSA-N 1 1 375.878 2.660 20 5 GFBDMO COc1cc(CSC[C@@H]2C[N@H+](C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000571083844 564535216 /nfs/dbraw/zinc/53/52/16/564535216.db2.gz VPNYWZPPMLOCFI-NSHDSACASA-N 1 1 378.397 2.769 20 5 GFBDMO COc1cc(CSC[C@@H]2C[N@@H+](C)CCO2)c([N+](=O)[O-])cc1OC(F)F ZINC000571083844 564535221 /nfs/dbraw/zinc/53/52/21/564535221.db2.gz VPNYWZPPMLOCFI-NSHDSACASA-N 1 1 378.397 2.769 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000462494054 564843776 /nfs/dbraw/zinc/84/37/76/564843776.db2.gz XEBMJTSKESYLCR-SCZZXKLOSA-N 1 1 382.269 2.663 20 5 GFBDMO C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000462494054 564843781 /nfs/dbraw/zinc/84/37/81/564843781.db2.gz XEBMJTSKESYLCR-SCZZXKLOSA-N 1 1 382.269 2.663 20 5 GFBDMO O=[N+]([O-])c1cc(I)cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000583232997 564881149 /nfs/dbraw/zinc/88/11/49/564881149.db2.gz NOVXFQSZFHBFBJ-NSHDSACASA-N 1 1 398.204 2.570 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000585698996 565105610 /nfs/dbraw/zinc/10/56/10/565105610.db2.gz ZDADYKDSCIPLHN-LBPRGKRZSA-N 1 1 382.258 2.880 20 5 GFBDMO C[C@@H](O)C[N@@H+](Cc1cc(I)cc([N+](=O)[O-])c1)C1CC1 ZINC000594063006 565374776 /nfs/dbraw/zinc/37/47/76/565374776.db2.gz HQPPLOKTQUVEFR-SECBINFHSA-N 1 1 376.194 2.545 20 5 GFBDMO O=[N+]([O-])c1sc(CNCCCC[N@H+]2CCC[C@H]2CO)cc1Br ZINC000602550019 565854863 /nfs/dbraw/zinc/85/48/63/565854863.db2.gz IAECSNISXPNVDB-NSHDSACASA-N 1 1 392.319 2.745 20 5 GFBDMO O=[N+]([O-])c1sc(CNCCCC[N@@H+]2CCC[C@H]2CO)cc1Br ZINC000602550019 565854869 /nfs/dbraw/zinc/85/48/69/565854869.db2.gz IAECSNISXPNVDB-NSHDSACASA-N 1 1 392.319 2.745 20 5 GFBDMO CC(C)[NH+]1CCC(O)(CNCc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC000602570896 565854980 /nfs/dbraw/zinc/85/49/80/565854980.db2.gz XWWXNKJXNGOPBP-UHFFFAOYSA-N 1 1 392.319 2.744 20 5 GFBDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000736291707 598976474 /nfs/dbraw/zinc/97/64/74/598976474.db2.gz YDFJKEOBTLFCPI-HNNXBMFYSA-N 1 1 393.451 2.876 20 5 GFBDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000820112648 607168796 /nfs/dbraw/zinc/16/87/96/607168796.db2.gz ZLDASWRUUJNFPU-UHFFFAOYSA-N 1 1 382.428 2.622 20 5 GFBDMO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826168097 608375412 /nfs/dbraw/zinc/37/54/12/608375412.db2.gz BQECYQLRGQCNBT-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO COc1cc(-c2nn[nH]n2)ccc1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000826168097 608375414 /nfs/dbraw/zinc/37/54/14/608375414.db2.gz BQECYQLRGQCNBT-UHFFFAOYSA-N 1 1 380.408 2.948 20 5 GFBDMO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCS(=O)(=O)C1CCOCC1 ZINC000824903872 660404676 /nfs/dbraw/zinc/40/46/76/660404676.db2.gz OKTZBRGKNZDNMU-UHFFFAOYSA-N 1 1 397.280 2.585 20 5 GFBDMO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccs1 ZINC000055966036 654785612 /nfs/dbraw/zinc/78/56/12/654785612.db2.gz OVHPOVJODSCAEN-LBPRGKRZSA-N 1 1 389.886 2.891 20 5 GFBDMO CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000839149978 661073664 /nfs/dbraw/zinc/07/36/64/661073664.db2.gz YWVXCMOBZXHGJF-UHFFFAOYSA-N 1 1 383.857 2.836 20 5 GFBDMO Cc1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc([N+](=O)[O-])c1F ZINC000154291283 655074844 /nfs/dbraw/zinc/07/48/44/655074844.db2.gz MGBKNCAICMPKLM-CYBMUJFWSA-N 1 1 387.458 2.685 20 5 GFBDMO O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cs1 ZINC000119624586 655308661 /nfs/dbraw/zinc/30/86/61/655308661.db2.gz MYMGTZRPBOEAFH-UHFFFAOYSA-N 1 1 387.527 2.933 20 5 GFBDMO Cc1c(Br)cc(C(=O)OCCC[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000753431417 655854428 /nfs/dbraw/zinc/85/44/28/655854428.db2.gz JLLABQQFWQKUFP-UHFFFAOYSA-N 1 1 387.230 2.545 20 5 GFBDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814363 656252478 /nfs/dbraw/zinc/25/24/78/656252478.db2.gz QVHQBQYUZANUGF-JSGCOSHPSA-N 1 1 381.479 2.770 20 5 GFBDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768814363 656252481 /nfs/dbraw/zinc/25/24/81/656252481.db2.gz QVHQBQYUZANUGF-JSGCOSHPSA-N 1 1 381.479 2.770 20 5 GFBDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000768838950 656254799 /nfs/dbraw/zinc/25/47/99/656254799.db2.gz YUINCIFGRXSUPC-GFCCVEGCSA-N 1 1 375.516 2.835 20 5 GFBDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768862316 656256988 /nfs/dbraw/zinc/25/69/88/656256988.db2.gz VPBZIALXINLCOZ-UHFFFAOYSA-N 1 1 383.495 2.845 20 5 GFBDMO C[N@H+](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000773462435 656450145 /nfs/dbraw/zinc/45/01/45/656450145.db2.gz XKTHPSPANWLJPH-LLVKDONJSA-N 1 1 389.271 2.838 20 5 GFBDMO C[N@@H+](CC(=O)OCc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000773462435 656450153 /nfs/dbraw/zinc/45/01/53/656450153.db2.gz XKTHPSPANWLJPH-LLVKDONJSA-N 1 1 389.271 2.838 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000775596589 656653507 /nfs/dbraw/zinc/65/35/07/656653507.db2.gz VZXQVPBLJBCDEY-WCQYABFASA-N 1 1 389.905 2.955 20 5 GFBDMO Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000775596086 656653521 /nfs/dbraw/zinc/65/35/21/656653521.db2.gz REPNSQBEULHOCN-LLVKDONJSA-N 1 1 375.878 2.567 20 5 GFBDMO CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419003 658094116 /nfs/dbraw/zinc/09/41/16/658094116.db2.gz RMYNYARPLNBUHC-VIFPVBQESA-N 1 1 382.269 2.664 20 5 GFBDMO Cc1ccc(NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c([N+](=O)[O-])c1Br ZINC000804413789 659644196 /nfs/dbraw/zinc/64/41/96/659644196.db2.gz BOIOOKFNLHVCAL-GFCCVEGCSA-N 1 1 399.289 2.665 20 5 GFBDMO CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809861058 659950639 /nfs/dbraw/zinc/95/06/39/659950639.db2.gz LWYITAIZINPKAI-VIFPVBQESA-N 1 1 384.285 2.909 20 5 GFBDMO CC[N@H+](CCSC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000842646110 661347414 /nfs/dbraw/zinc/34/74/14/661347414.db2.gz HXJUWXCNQACNBX-UHFFFAOYSA-N 1 1 388.287 2.956 20 5 GFBDMO CC[N@@H+](CCSC)CN1Cc2cc(Br)c([N+](=O)[O-])cc2C1=O ZINC000842646110 661347417 /nfs/dbraw/zinc/34/74/17/661347417.db2.gz HXJUWXCNQACNBX-UHFFFAOYSA-N 1 1 388.287 2.956 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@@H](CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000849411938 661718640 /nfs/dbraw/zinc/71/86/40/661718640.db2.gz ZGGPDFYPNWXURN-JTQLQIEISA-N 1 1 393.868 2.786 20 5 GFBDMO Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000849420088 661720821 /nfs/dbraw/zinc/72/08/21/661720821.db2.gz QQAIFWNUNOPJJZ-NSHDSACASA-N 1 1 375.878 2.708 20 5 GFBDMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000868849526 662621881 /nfs/dbraw/zinc/62/18/81/662621881.db2.gz KLUXXVRWUKTBPM-GFCCVEGCSA-N 1 1 384.274 2.748 20 5 GFBDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)C1 ZINC000869233940 662636911 /nfs/dbraw/zinc/63/69/11/662636911.db2.gz QOPUGUGUKHAWPE-LBPRGKRZSA-N 1 1 384.274 2.889 20 5 GFBDMO Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874827152 662837577 /nfs/dbraw/zinc/83/75/77/662837577.db2.gz CAGRGZFEVJHSJZ-HUUCEWRRSA-N 1 1 382.258 2.974 20 5 GFBDMO CC(C)(O)[C@H]1CC[N@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000877836159 662885088 /nfs/dbraw/zinc/88/50/88/662885088.db2.gz OOHOFQAGIBPEPS-NSHDSACASA-N 1 1 390.221 2.792 20 5 GFBDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(I)cc([N+](=O)[O-])c2)C1 ZINC000877836159 662885090 /nfs/dbraw/zinc/88/50/90/662885090.db2.gz OOHOFQAGIBPEPS-NSHDSACASA-N 1 1 390.221 2.792 20 5 GFBDMO C[N@H+]1CC[C@H]2CN(C(=O)Nc3cc(Br)cc([N+](=O)[O-])c3)CC[C@H]21 ZINC000879519202 662928311 /nfs/dbraw/zinc/92/83/11/662928311.db2.gz OYJQYEHEZJGISS-IINYFYTJSA-N 1 1 383.246 2.915 20 5 GFBDMO CC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2C)C1 ZINC000881953487 663010790 /nfs/dbraw/zinc/01/07/90/663010790.db2.gz AAQAEPQGSVBSBO-GFCCVEGCSA-N 1 1 375.878 2.519 20 5 GFBDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(Br)cc1[N+](=O)[O-] ZINC000889725901 663261158 /nfs/dbraw/zinc/26/11/58/663261158.db2.gz RGLVTIYCOOPLJN-BXUZGUMPSA-N 1 1 399.289 2.839 20 5 GFBDMO O=C(c1cc(Cl)cc(Cl)c1[N+](=O)[O-])N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889756610 663263848 /nfs/dbraw/zinc/26/38/48/663263848.db2.gz PEPPCDZXZTWPQM-UONOGXRCSA-N 1 1 388.251 2.573 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931059734 664784233 /nfs/dbraw/zinc/78/42/33/664784233.db2.gz PTSOIIXSLICOCF-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO O=C1CCCN1C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC000931059734 664784237 /nfs/dbraw/zinc/78/42/37/664784237.db2.gz PTSOIIXSLICOCF-GFCCVEGCSA-N 1 1 382.258 2.802 20 5 GFBDMO