smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C(=O)COC(=O)c2cc(Cl)nc3ccccc32)cc1[N+](=O)[O-] ZINC000001296329 817376081 /nfs/dbraw/zinc/37/60/81/817376081.db2.gz HWVGWUZZLYYAMQ-UHFFFAOYSA-N 0 0 384.775 4.145 50 5 GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002377978 817386046 /nfs/dbraw/zinc/38/60/46/817386046.db2.gz OZHWYPZUUVGKPB-UHFFFAOYSA-N 0 0 383.455 4.310 50 5 GIBARN COc1ccccc1[C@H]1[C@H](Oc2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000002758730 817399338 /nfs/dbraw/zinc/39/93/38/817399338.db2.gz QKVLMIXHPFSYCW-SFTDATJTSA-N 0 0 390.395 4.139 50 5 GIBARN CCOc1ccccc1NC(=O)c1ccccc1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000002796609 817401311 /nfs/dbraw/zinc/40/13/11/817401311.db2.gz GMPNFNSAJVNOQU-UHFFFAOYSA-N 0 0 394.431 4.107 50 5 GIBARN CCc1ccc(NC(=O)c2cnn3c2nccc3-c2cccc([N+](=O)[O-])c2)cc1 ZINC000002797852 817401863 /nfs/dbraw/zinc/40/18/63/817401863.db2.gz NXDWWNZKSLAPJV-UHFFFAOYSA-N 0 0 387.399 4.119 50 5 GIBARN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)c1 ZINC000002829991 817402602 /nfs/dbraw/zinc/40/26/02/817402602.db2.gz JGHXELDDDJDICG-UHFFFAOYSA-N 0 0 385.420 4.375 50 5 GIBARN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002843049 817403424 /nfs/dbraw/zinc/40/34/24/817403424.db2.gz IFCNIJPRSVHVGB-UHFFFAOYSA-N 0 0 385.379 4.467 50 5 GIBARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000002850356 817403570 /nfs/dbraw/zinc/40/35/70/817403570.db2.gz VFBUBWXGCBLCDK-SECBINFHSA-N 0 0 385.203 4.316 50 5 GIBARN C[C@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])c1ccc2c(c1)CCCC2 ZINC000002862229 817403975 /nfs/dbraw/zinc/40/39/75/817403975.db2.gz PRQAUVSSPAKNNZ-ZDUSSCGKSA-N 0 0 388.851 4.383 50 5 GIBARN CCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000002911050 817404750 /nfs/dbraw/zinc/40/47/50/817404750.db2.gz NHHZUEQQJBOAMN-OAHLLOKOSA-N 0 0 385.405 4.045 50 5 GIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)c([N+](=O)[O-])c1 ZINC000003069971 817417005 /nfs/dbraw/zinc/41/70/05/817417005.db2.gz LHNFCXSDUUKTSN-UHFFFAOYSA-N 0 0 376.294 4.052 50 5 GIBARN Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1 ZINC000003222800 817424274 /nfs/dbraw/zinc/42/42/74/817424274.db2.gz APJWBMJFYZOJFR-LJQANCHMSA-N 0 0 394.383 4.341 50 5 aggregator GIBARN O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc([N+](=O)[O-])o1 ZINC000003232902 817425539 /nfs/dbraw/zinc/42/55/39/817425539.db2.gz MQIPMKDPUKKKKG-UHFFFAOYSA-N 0 0 396.380 4.174 50 5 GIBARN Cc1sc2ncnc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2c1C ZINC000003268739 817430324 /nfs/dbraw/zinc/43/03/24/817430324.db2.gz VHYQPTBNDFLZEF-UHFFFAOYSA-N 0 0 392.437 4.086 50 5 GIBARN Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000003386346 817446744 /nfs/dbraw/zinc/44/67/44/817446744.db2.gz UYPADIUHMOYYNW-UHFFFAOYSA-N 0 0 383.187 4.006 50 5 GIBARN O=C(c1cccc2ccccc21)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120118 817504506 /nfs/dbraw/zinc/50/45/06/817504506.db2.gz BXCDSYZHHWMDFV-UHFFFAOYSA-N 0 0 391.452 4.493 50 5 GIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012997180 818200106 /nfs/dbraw/zinc/20/01/06/818200106.db2.gz HDJUYWTWFLQTTB-OAQYLSRUSA-N 0 0 397.475 4.468 50 5 GIBARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cccc([N+](=O)[O-])c1 ZINC000012998837 818200165 /nfs/dbraw/zinc/20/01/65/818200165.db2.gz FXRYTHXUYHVVRJ-IBGZPJMESA-N 0 0 399.497 4.304 50 5 GIBARN COc1ccccc1/C=C/C=C1\N=C(c2ccc([N+](=O)[O-])cc2Cl)OC1=O ZINC000020615958 818627853 /nfs/dbraw/zinc/62/78/53/818627853.db2.gz WKBKSBQIVZIHKO-ZGCWVLQWSA-N 0 0 384.775 4.158 50 5 GIBARN CCn1cnc2c1nc(NC1CCCCC1)nc2Nc1cccc([N+](=O)[O-])c1 ZINC000028629287 820346394 /nfs/dbraw/zinc/34/63/94/820346394.db2.gz ADBGTRUKCFWPKL-UHFFFAOYSA-N 0 0 381.440 4.243 50 5 GIBARN CC[C@H]1CCCCN1c1nc2c(ncn2CC)c(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000028629306 820346510 /nfs/dbraw/zinc/34/65/10/820346510.db2.gz PPZCSLQGFORCER-HNNXBMFYSA-N 0 0 395.467 4.267 50 5 GIBARN Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000030276113 820594483 /nfs/dbraw/zinc/59/44/83/820594483.db2.gz GFHXTXVPNVVWGO-FQEVSTJZSA-N 0 0 379.416 4.308 50 5 GIBARN CCOC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000059501527 823496780 /nfs/dbraw/zinc/49/67/80/823496780.db2.gz YHTCXGUOCAUYIA-UHFFFAOYSA-N 0 0 382.781 4.484 50 5 GIBARN O=[N+]([O-])c1cccc(-c2noc(CSc3nnc(-c4cccs4)o3)n2)c1 ZINC000031843067 820867026 /nfs/dbraw/zinc/86/70/26/820867026.db2.gz MAZWHZCVHSWONU-UHFFFAOYSA-N 0 0 387.402 4.049 50 5 GIBARN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1ccc(Br)cc1 ZINC000033530799 821057394 /nfs/dbraw/zinc/05/73/94/821057394.db2.gz WHJSLNACARKDKH-FMIVXFBMSA-N 0 0 398.216 4.012 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1OCCc1ccccc1 ZINC000040090792 821135545 /nfs/dbraw/zinc/13/55/45/821135545.db2.gz GTSPPWYKUYMVLL-UHFFFAOYSA-N 0 0 376.412 4.398 50 5 GIBARN O=C1c2cc(Br)ccc2-c2c1cc(Br)cc2[N+](=O)[O-] ZINC000001580950 203778624 /nfs/dbraw/zinc/77/86/24/203778624.db2.gz PUTIIWOMKYLKOX-UHFFFAOYSA-N 0 0 382.995 4.331 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])c(Br)c1)N(c1ccccn1)c1ccccn1 ZINC000000771821 203851485 /nfs/dbraw/zinc/85/14/85/203851485.db2.gz YLZSEFIGKJCIKK-UHFFFAOYSA-N 0 0 399.204 4.126 50 5 GIBARN CCn1c(=O)c2ccccc2nc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000001049960 203876789 /nfs/dbraw/zinc/87/67/89/203876789.db2.gz FZLLYFQBIHZSQA-UHFFFAOYSA-N 0 0 375.837 4.270 50 5 GIBARN Cc1cc(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001074727 203880763 /nfs/dbraw/zinc/88/07/63/203880763.db2.gz DQAHWWHVIONIOR-UHFFFAOYSA-N 0 0 375.380 4.491 50 5 GIBARN O=C1c2ccccc2N[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccccc1 ZINC000001089434 203882501 /nfs/dbraw/zinc/88/25/01/203882501.db2.gz REXLDFGVCFKFPF-FQEVSTJZSA-N 0 0 389.367 4.095 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2ncc(CO)n2Cc2ccc(Cl)cc2)cc1 ZINC000010336506 203913194 /nfs/dbraw/zinc/91/31/94/203913194.db2.gz HNTVZWGVJGVIKG-UHFFFAOYSA-N 0 0 389.864 4.278 50 5 GIBARN O=c1oc2c(cccc2[N+](=O)[O-])cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000002205231 203930909 /nfs/dbraw/zinc/93/09/09/203930909.db2.gz KQKFMOUACHULST-UHFFFAOYSA-N 0 0 394.364 4.220 50 5 GIBARN CCCCn1c2nc3ccccc3nc2c2c1nc(C)n(CCC(C)C)c2=O ZINC000002424090 203944306 /nfs/dbraw/zinc/94/43/06/203944306.db2.gz PPEHORBPZBVULX-UHFFFAOYSA-N 0 0 377.492 4.449 50 5 GIBARN CCCCCC(=O)N[C@@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003018962 203981227 /nfs/dbraw/zinc/98/12/27/203981227.db2.gz HCXZDNDZAQEYFU-ZDUSSCGKSA-N 0 0 383.659 4.366 50 5 GIBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000002475067 203947175 /nfs/dbraw/zinc/94/71/75/203947175.db2.gz KBGBWVPXQCTRMH-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Br)cc1 ZINC000002475109 203947272 /nfs/dbraw/zinc/94/72/72/203947272.db2.gz ZVJGTLDCCQKSFO-OAHLLOKOSA-N 0 0 379.235 4.136 50 5 GIBARN Cc1ncc([N+](=O)[O-])n1CCSc1nnc(SCc2ccccc2)s1 ZINC000002497681 203948555 /nfs/dbraw/zinc/94/85/55/203948555.db2.gz BFAOXYIYAKLMTL-UHFFFAOYSA-N 0 0 393.519 4.036 50 5 GIBARN CN(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000004331863 204039550 /nfs/dbraw/zinc/03/95/50/204039550.db2.gz MUGDWWUEFIZSEM-NRFANRHFSA-N 0 0 388.427 4.432 50 5 GIBARN O=C(CSCC(=O)Nc1ccc2ccccc2c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004357185 204040347 /nfs/dbraw/zinc/04/03/47/204040347.db2.gz CWCPVQCHJTZGBP-UHFFFAOYSA-N 0 0 395.440 4.058 50 5 GIBARN C[C@H]1C[C@H](N2CN=C(SCc3ccc([N+](=O)[O-])cc3)NC2)CC(C)(C)C1 ZINC000004365423 204041784 /nfs/dbraw/zinc/04/17/84/204041784.db2.gz HPIRSHRPVUJCMB-YOEHRIQHSA-N 0 0 376.526 4.219 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1cccc(Cl)c1Cl ZINC000003416442 204005043 /nfs/dbraw/zinc/00/50/43/204005043.db2.gz AKQPHAKVMKWUCL-UHFFFAOYSA-N 0 0 382.247 4.281 50 5 GIBARN C[C@H]1CCc2sc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2C1 ZINC000003429244 204006623 /nfs/dbraw/zinc/00/66/23/204006623.db2.gz XHWWWLFUCLTQNL-NSHDSACASA-N 0 0 389.429 4.005 50 5 GIBARN Cc1cccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 ZINC000004042289 204025175 /nfs/dbraw/zinc/02/51/75/204025175.db2.gz JHHXFPUOHYMWFP-UHFFFAOYSA-N 0 0 393.237 4.463 50 5 GIBARN CC(C)(C)c1ccc(C(=S)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000004192927 204031071 /nfs/dbraw/zinc/03/10/71/204031071.db2.gz VUWMIGQIDUJNEZ-UHFFFAOYSA-N 0 0 383.517 4.390 50 5 GIBARN CC1=Nc2nc3ccccc3n2[C@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC(C)C ZINC000004742026 204071943 /nfs/dbraw/zinc/07/19/43/204071943.db2.gz JGAUQBDIDDUXMY-LJQANCHMSA-N 0 0 392.415 4.185 50 5 GIBARN CC(C)(CNC(=O)c1ccc(F)cc1)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000004740947 204072389 /nfs/dbraw/zinc/07/23/89/204072389.db2.gz DWTOWLIIIZYOAV-UHFFFAOYSA-N 0 0 379.819 4.255 50 5 GIBARN O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000004755219 204074989 /nfs/dbraw/zinc/07/49/89/204074989.db2.gz HZOOZGVUDFATGO-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])O[C@@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000004794694 204077012 /nfs/dbraw/zinc/07/70/12/204077012.db2.gz HKZRPKOJLOYIPK-HXUWFJFHSA-N 0 0 381.388 4.341 50 5 GIBARN COc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1[N+](=O)[O-] ZINC000004895831 204088610 /nfs/dbraw/zinc/08/86/10/204088610.db2.gz DTQJFCLNBXTNQV-UHFFFAOYSA-N 0 0 375.812 4.109 50 5 GIBARN COc1ccccc1/C=C/C=C1/N=C(/C=C\c2cccc([N+](=O)[O-])c2)OC1=O ZINC000004590083 204056118 /nfs/dbraw/zinc/05/61/18/204056118.db2.gz KUXIGMHLHFDZJH-UGSSFZTMSA-N 0 0 376.368 4.169 50 5 GIBARN COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000004670562 204062022 /nfs/dbraw/zinc/06/20/22/204062022.db2.gz MPVYBVUTDCNZHS-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN C[C@@H]1CC[C@H]2C(=O)N(c3ccc(N(C)C4CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000004684133 204062762 /nfs/dbraw/zinc/06/27/62/204062762.db2.gz KNUHWCZJIYSCBW-ZTFGCOKTSA-N 0 0 399.491 4.289 50 5 GIBARN CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000005091778 204110962 /nfs/dbraw/zinc/11/09/62/204110962.db2.gz OPDLGRHVRVTVSW-UHFFFAOYSA-N 0 0 376.368 4.439 50 5 GIBARN O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1cccc([N+](=O)[O-])c1 ZINC000005147318 204115292 /nfs/dbraw/zinc/11/52/92/204115292.db2.gz PJXKBCQQODIPJE-UHFFFAOYSA-N 0 0 396.403 4.291 50 5 GIBARN O=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)NC(=S)N1c1ccccc1 ZINC000005202935 204119440 /nfs/dbraw/zinc/11/94/40/204119440.db2.gz XHKXLASSDKZLTB-ATVHPVEESA-N 0 0 391.408 4.117 50 5 GIBARN CCCCn1c2ncn(-c3cccc(C)c3)c(=O)c2c2nc3ccccc3nc21 ZINC000005234796 204121272 /nfs/dbraw/zinc/12/12/72/204121272.db2.gz AQYBMBMJUBNAJV-UHFFFAOYSA-N 0 0 383.455 4.392 50 5 GIBARN Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270758 204123424 /nfs/dbraw/zinc/12/34/24/204123424.db2.gz IDRMXQVUHUXDBS-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN Cc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000005278293 204123579 /nfs/dbraw/zinc/12/35/79/204123579.db2.gz FRZCBZXNRYMATH-UHFFFAOYSA-N 0 0 394.412 4.323 50 5 GIBARN CC(C)Cn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1Cl ZINC000005346521 204127158 /nfs/dbraw/zinc/12/71/58/204127158.db2.gz FNBICNTWUNCKCA-UHFFFAOYSA-N 0 0 393.874 4.225 50 5 GIBARN CCCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1C ZINC000005346686 204127163 /nfs/dbraw/zinc/12/71/63/204127163.db2.gz WLRAWQVRCRGKFA-UHFFFAOYSA-N 0 0 387.483 4.414 50 5 GIBARN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000005013917 204102126 /nfs/dbraw/zinc/10/21/26/204102126.db2.gz ZSIDPQHEPKJNSV-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN CC(C)C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000005020181 204104111 /nfs/dbraw/zinc/10/41/11/204104111.db2.gz WIXFJMAFTUTNRI-VYENPZKTSA-N 0 0 378.432 4.388 50 5 GIBARN CC(C)Cn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 ZINC000005030254 204104230 /nfs/dbraw/zinc/10/42/30/204104230.db2.gz CQERZMCNHBOXAE-UHFFFAOYSA-N 0 0 392.375 4.119 50 5 GIBARN COc1ccc(-c2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)o2)c([N+](=O)[O-])c1 ZINC000005034588 204106278 /nfs/dbraw/zinc/10/62/78/204106278.db2.gz CVVOCRXWQNCJGT-UHFFFAOYSA-N 0 0 395.371 4.074 50 5 GIBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)cc3)n2)cc1 ZINC000005053771 204107206 /nfs/dbraw/zinc/10/72/06/204107206.db2.gz HSIQHINPIOSHCJ-UHFFFAOYSA-N 0 0 380.408 4.161 50 5 GIBARN COc1cccc(NC(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)c1 ZINC000005049922 204107488 /nfs/dbraw/zinc/10/74/88/204107488.db2.gz KCUKECHAHVLNGW-UHFFFAOYSA-N 0 0 391.427 4.492 50 5 GIBARN O=C(/C=C/c1cccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1)N1CCCCC1 ZINC000005757085 204150614 /nfs/dbraw/zinc/15/06/14/204150614.db2.gz HYFIYKVRYGGGJS-BQYQJAHWSA-N 0 0 397.387 4.321 50 5 GIBARN Nc1c2cc3c(nc2sc1C(=O)Nc1ccc([N+](=O)[O-])cc1)CCCCC3 ZINC000005799420 204151224 /nfs/dbraw/zinc/15/12/24/204151224.db2.gz KBKADNMDGVPMHG-UHFFFAOYSA-N 0 0 382.445 4.308 50 5 GIBARN Cn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(Cc3ccccc3)nc21 ZINC000005421744 204130340 /nfs/dbraw/zinc/13/03/40/204130340.db2.gz ZRHFQCXUJZFORI-UHFFFAOYSA-N 0 0 390.446 4.478 50 5 GIBARN COc1ccc(-c2csc3ncn(Cc4ccc([N+](=O)[O-])cc4)c(=O)c23)cc1 ZINC000005414477 204131048 /nfs/dbraw/zinc/13/10/48/204131048.db2.gz XJQLBUGGQGBKIK-UHFFFAOYSA-N 0 0 393.424 4.090 50 5 GIBARN CC(=O)Oc1cn(Cc2ccc(C)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005478119 204134173 /nfs/dbraw/zinc/13/41/73/204134173.db2.gz XMMXWBCTMACFJS-UHFFFAOYSA-N 0 0 384.439 4.428 50 5 GIBARN CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000005477554 204134878 /nfs/dbraw/zinc/13/48/78/204134878.db2.gz NOXQASGGYXCTQR-UHFFFAOYSA-N 0 0 384.461 4.386 50 5 GIBARN Nc1ccc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000005660126 204144145 /nfs/dbraw/zinc/14/41/45/204144145.db2.gz MFGNVGXEDUPPLA-UHFFFAOYSA-N 0 0 382.416 4.264 50 5 GIBARN CCOc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000005672147 204145954 /nfs/dbraw/zinc/14/59/54/204145954.db2.gz XJHZTNHKJOCMBA-NSHDSACASA-N 0 0 377.780 4.075 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1ccco1)c1ccccc1 ZINC000006839412 204213829 /nfs/dbraw/zinc/21/38/29/204213829.db2.gz UHWAICVZUXLQOL-GOSISDBHSA-N 0 0 385.807 4.311 50 5 GIBARN O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)oc1c(F)cccc1c2=O ZINC000006660441 204190730 /nfs/dbraw/zinc/19/07/30/204190730.db2.gz ZIBWXAHMIVPNNU-UHFFFAOYSA-N 0 0 381.334 4.242 50 5 GIBARN Cc1nc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)nc(C)c1C ZINC000007238980 204236176 /nfs/dbraw/zinc/23/61/76/204236176.db2.gz SZRNQXFUAFAMBO-LLVKDONJSA-N 0 0 380.857 4.083 50 5 GIBARN COC(=O)c1cc(C(=O)Nc2ccc3c(c2)-c2ccccc2C3)cc([N+](=O)[O-])c1 ZINC000007285300 204238352 /nfs/dbraw/zinc/23/83/52/204238352.db2.gz MZDCDIBOQRPURZ-UHFFFAOYSA-N 0 0 388.379 4.205 50 5 GIBARN NC(=O)c1ccc(CSc2ncc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1 ZINC000008709117 204284536 /nfs/dbraw/zinc/28/45/36/204284536.db2.gz CTLNXZRYVJSNHV-UHFFFAOYSA-N 0 0 389.820 4.294 50 5 GIBARN O=C(Nc1ccc(Cl)cc1F)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008016581 204259571 /nfs/dbraw/zinc/25/95/71/204259571.db2.gz CEBDJOQLPIEJNM-UHFFFAOYSA-N 0 0 377.803 4.242 50 5 GIBARN COc1cccc(NC(=O)[C@@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000008211267 204265427 /nfs/dbraw/zinc/26/54/27/204265427.db2.gz WVSAIJIEZFTICZ-FQEVSTJZSA-N 0 0 377.400 4.395 50 5 GIBARN O=C(OCCCc1nc(-c2cccs2)no1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000008343174 204273422 /nfs/dbraw/zinc/27/34/22/204273422.db2.gz DWXZHLIDEZVURA-UHFFFAOYSA-N 0 0 393.808 4.149 50 5 GIBARN Cc1cc(-c2nn3c(CSc4ccccc4)nnc3s2)ccc1[N+](=O)[O-] ZINC000008393140 204275729 /nfs/dbraw/zinc/27/57/29/204275729.db2.gz LDGJYULRQUEKQU-UHFFFAOYSA-N 0 0 383.458 4.362 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1nc(C(F)F)c(Cl)c1C1CC1 ZINC000008491314 204277967 /nfs/dbraw/zinc/27/79/67/204277967.db2.gz QYCYQNZRESYALT-UHFFFAOYSA-N 0 0 384.770 4.207 50 5 GIBARN CCOc1ccc(C(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000009668221 204319125 /nfs/dbraw/zinc/31/91/25/204319125.db2.gz RCLFFYFQIRTJHL-UHFFFAOYSA-N 0 0 383.429 4.293 50 5 GIBARN O=C(Nc1cccc(OCCOc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000009826495 204324888 /nfs/dbraw/zinc/32/48/88/204324888.db2.gz QLGKEDGUSHXDLC-UHFFFAOYSA-N 0 0 378.384 4.305 50 5 GIBARN CN(C)c1ccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000009891626 204326723 /nfs/dbraw/zinc/32/67/23/204326723.db2.gz XSZGVSKEKXRJMS-LJQANCHMSA-N 0 0 399.447 4.381 50 5 GIBARN CN(Cc1ccccc1Cl)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012512077 204416633 /nfs/dbraw/zinc/41/66/33/204416633.db2.gz AJJMIWCNCZILOM-UHFFFAOYSA-N 0 0 387.867 4.123 50 5 GIBARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1[N+](=O)[O-] ZINC000024926431 204826748 /nfs/dbraw/zinc/82/67/48/204826748.db2.gz FLHPZJWRAPXPKD-UHFFFAOYSA-N 0 0 391.431 4.222 50 5 GIBARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3cc([N+](=O)[O-])ccc32)cc1 ZINC000027533666 204856933 /nfs/dbraw/zinc/85/69/33/204856933.db2.gz BISLYKIESZAFHM-UHFFFAOYSA-N 0 0 387.395 4.010 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2cccnc12 ZINC000031082499 204901065 /nfs/dbraw/zinc/90/10/65/204901065.db2.gz YFLJYHXEJPWQJJ-UHFFFAOYSA-N 0 0 376.416 4.304 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(COCc2ccccc2)c1 ZINC000036398469 205016197 /nfs/dbraw/zinc/01/61/97/205016197.db2.gz ZLUDJTRPJJVHRH-UHFFFAOYSA-N 0 0 390.439 4.171 50 5 GIBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c12 ZINC000036618361 205019287 /nfs/dbraw/zinc/01/92/87/205019287.db2.gz UYUMWNUVVKLWPC-YVEFUNNKSA-N 0 0 394.431 4.415 50 5 GIBARN Cc1ccc([C@@](O)(CCNc2ccc([N+](=O)[O-])c3cccnc23)C(F)(F)F)o1 ZINC000040051246 205049109 /nfs/dbraw/zinc/04/91/09/205049109.db2.gz HDRVIYDSLJVWCP-KRWDZBQOSA-N 0 0 395.337 4.297 50 5 GIBARN CC(=O)c1ccc(NCc2ccnc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000052187764 205133619 /nfs/dbraw/zinc/13/36/19/205133619.db2.gz XROGHTXVYPBTAR-UHFFFAOYSA-N 0 0 377.400 4.384 50 5 GIBARN CNc1ccc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)cc1[N+](=O)[O-] ZINC000054011291 205139943 /nfs/dbraw/zinc/13/99/43/205139943.db2.gz DEVWZRMOLTZEKV-UHFFFAOYSA-N 0 0 393.447 4.257 50 5 GIBARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc([N+](=O)[O-])c1)NC2 ZINC000055211421 205144635 /nfs/dbraw/zinc/14/46/35/205144635.db2.gz YWWYSTOSFIJSSX-QFIPXVFZSA-N 0 0 393.443 4.376 50 5 GIBARN Cc1nccn1-c1ccc(CNc2ccc3ncccc3c2[N+](=O)[O-])cc1F ZINC000063254809 205185997 /nfs/dbraw/zinc/18/59/97/205185997.db2.gz WLDIKKYBFLTODM-UHFFFAOYSA-N 0 0 377.379 4.388 50 5 GIBARN Cc1cc(N[C@H](C)c2ccc3c(c2)CCO3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000060863019 205181181 /nfs/dbraw/zinc/18/11/81/205181181.db2.gz HSBRGPYZZGWIEV-CQSZACIVSA-N 0 0 376.416 4.468 50 5 GIBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCCC[C@H]2c2cccc(F)c2)c1 ZINC000064984033 205204513 /nfs/dbraw/zinc/20/45/13/205204513.db2.gz HEVDWGDEYXURMM-SFHVURJKSA-N 0 0 378.425 4.040 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCOc1ccccc1Cl ZINC000065552926 205238286 /nfs/dbraw/zinc/23/82/86/205238286.db2.gz DNJBNEGHXYJOLU-UHFFFAOYSA-N 0 0 383.231 4.329 50 5 GIBARN CCn1cc([C@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000071785124 205297095 /nfs/dbraw/zinc/29/70/95/205297095.db2.gz QLCPSGYXNRQUSI-OAQYLSRUSA-N 0 0 391.431 4.181 50 5 GIBARN CC[C@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277035 205554470 /nfs/dbraw/zinc/55/44/70/205554470.db2.gz XHLRQLCCGXLHAM-XHDPSFHLSA-N 0 0 386.433 4.224 50 5 GIBARN O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000007516087 205787407 /nfs/dbraw/zinc/78/74/07/205787407.db2.gz XVVIXCUVJPWWHJ-IBGZPJMESA-N 0 0 393.468 4.190 50 5 GIBARN O=C(N[C@H](c1ccccc1)c1ccc2c(c1)CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000170622990 205856332 /nfs/dbraw/zinc/85/63/32/205856332.db2.gz WZPMKMHIAAKUAW-JOCHJYFZSA-N 0 0 388.423 4.439 50 5 GIBARN Cc1ccc2cc(-c3c4c[nH]nc4nc4c5ccc(O)cc5oc43)c(=O)[nH]c2c1 ZINC000218213190 205945237 /nfs/dbraw/zinc/94/52/37/205945237.db2.gz UDUVFUHCKAZEPG-UHFFFAOYSA-N 0 0 382.379 4.380 50 5 GIBARN O=C(COc1cccc([N+](=O)[O-])c1)N1CCC(F)(c2cccc(Cl)c2)CC1 ZINC000225602544 206060699 /nfs/dbraw/zinc/06/06/99/206060699.db2.gz CQQBQVYEZFJZOZ-UHFFFAOYSA-N 0 0 392.814 4.114 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000030295663 206073104 /nfs/dbraw/zinc/07/31/04/206073104.db2.gz TUOVBHFSBRMBGA-UHFFFAOYSA-N 0 0 394.402 4.172 50 5 GIBARN CC(C)c1ccc(/C=C\C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000033391195 206097586 /nfs/dbraw/zinc/09/75/86/206097586.db2.gz NOWBWXQWUJRRCM-XGICHPGQSA-N 0 0 379.460 4.080 50 5 GIBARN NC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2 ZINC000033456622 206099233 /nfs/dbraw/zinc/09/92/33/206099233.db2.gz JYCRCUBPIBNIED-KHPPLWFESA-N 0 0 399.472 4.066 50 5 GIBARN Cc1ccc(Br)c(NC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)c1 ZINC000240786087 206126309 /nfs/dbraw/zinc/12/63/09/206126309.db2.gz IADXTSPZAIIIPJ-UHFFFAOYSA-N 0 0 396.216 4.123 50 5 GIBARN COCCNc1oc2c(c1-c1ccccc1[N+](=O)[O-])c(=O)oc1c(C)cccc21 ZINC000010383508 221103069 /nfs/dbraw/zinc/10/30/69/221103069.db2.gz DHOGKBTXNHXFQX-UHFFFAOYSA-N 0 0 394.383 4.481 50 5 GIBARN O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010913038 221109088 /nfs/dbraw/zinc/10/90/88/221109088.db2.gz QUEMRMROXVEOTA-UHFFFAOYSA-N 0 0 397.822 4.044 50 5 GIBARN CCc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012555128 221206684 /nfs/dbraw/zinc/20/66/84/221206684.db2.gz JFHAFURQOCOMHN-UHFFFAOYSA-N 0 0 381.476 4.032 50 5 GIBARN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012801909 221234189 /nfs/dbraw/zinc/23/41/89/221234189.db2.gz IIRFSGRSAHAUHR-CYBMUJFWSA-N 0 0 386.882 4.008 50 5 GIBARN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])O[C@H](C)C2 ZINC000012895822 221243183 /nfs/dbraw/zinc/24/31/83/221243183.db2.gz ABACSQXSPSXEKC-SNVBAGLBSA-N 0 0 376.796 4.223 50 5 GIBARN O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccncc1 ZINC000048356271 132433114 /nfs/dbraw/zinc/43/31/14/132433114.db2.gz GTKXAXPRYIOQTR-SFHVURJKSA-N 0 0 380.791 4.414 50 5 GIBARN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000064784579 136157765 /nfs/dbraw/zinc/15/77/65/136157765.db2.gz UURIOQSBADVGEB-JTQLQIEISA-N 0 0 396.777 4.273 50 5 GIBARN CCOc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000006125007 136196770 /nfs/dbraw/zinc/19/67/70/136196770.db2.gz ZTPBWGZRDAVVPO-HNNXBMFYSA-N 0 0 383.448 4.482 50 5 GIBARN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1N1CCCCC1 ZINC000015103746 136201814 /nfs/dbraw/zinc/20/18/14/136201814.db2.gz RVPBQRRHSOOXEW-QGZVFWFLSA-N 0 0 396.491 4.044 50 5 GIBARN O=c1[nH][nH]c(-c2ccccc2O)c1[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000004649877 518202981 /nfs/dbraw/zinc/20/29/81/518202981.db2.gz APQNTBCJKKGZJG-GFCCVEGCSA-N 0 0 394.214 4.203 50 5 GIBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1ccsc1 ZINC000048235991 570222109 /nfs/dbraw/zinc/22/21/09/570222109.db2.gz SFALIYRDQXEQCK-QGZVFWFLSA-N 0 0 385.489 4.236 50 5 GIBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000048274603 570229628 /nfs/dbraw/zinc/22/96/28/570229628.db2.gz PDDTWMWPSOQNKN-UYAOXDASSA-N 0 0 381.432 4.122 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCS[C@H]1c1ccc(Br)cc1 ZINC000002483783 570277943 /nfs/dbraw/zinc/27/79/43/570277943.db2.gz YYOBGIQYNWPJPB-INIZCTEOSA-N 0 0 393.262 4.245 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1C ZINC000012906711 570290206 /nfs/dbraw/zinc/29/02/06/570290206.db2.gz MZPAVLYDVIVCRR-CQSZACIVSA-N 0 0 398.488 4.453 50 5 GIBARN CC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)/c(=N/c2cccc3ccccc32)s1 ZINC000000713127 570300123 /nfs/dbraw/zinc/30/01/23/570300123.db2.gz FNUCXFRJFGIQPQ-MRCUWXFGSA-N 0 0 390.424 4.430 50 5 GIBARN Cc1ccc2nc(N3CCCCC3)n3c(-c4ccccc4[N+](=O)[O-])nnc3c2c1 ZINC000034699598 570305709 /nfs/dbraw/zinc/30/57/09/570305709.db2.gz UVBIIOFYSWVLLY-UHFFFAOYSA-N 0 0 388.431 4.151 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc(Oc2ccccc2)cc1 ZINC000000778007 570320435 /nfs/dbraw/zinc/32/04/35/570320435.db2.gz VTPUJVHNXZLKCP-UHFFFAOYSA-N 0 0 389.367 4.053 50 5 GIBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(C)c4oc32)cc(OC)c1O ZINC000218293808 570330331 /nfs/dbraw/zinc/33/03/31/570330331.db2.gz NYQNDTRVYQDQLF-UHFFFAOYSA-N 0 0 391.383 4.261 50 5 GIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(CCNc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000100487851 570371979 /nfs/dbraw/zinc/37/19/79/570371979.db2.gz KKCWUKVYAPMZOG-UHFFFAOYSA-N 0 0 382.332 4.219 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000004930117 570372187 /nfs/dbraw/zinc/37/21/87/570372187.db2.gz VLHZPEWHLODBCA-UHFFFAOYSA-N 0 0 385.383 4.095 50 5 GIBARN Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000005136970 570423787 /nfs/dbraw/zinc/42/37/87/570423787.db2.gz GTCWSBBBQFLODN-UHFFFAOYSA-N 0 0 385.420 4.138 50 5 GIBARN CC1(C)OC(=O)N(c2ccccc2)[C@@]12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2 ZINC000001858533 570437445 /nfs/dbraw/zinc/43/74/45/570437445.db2.gz UKMDLFSPDCIEIP-LJQANCHMSA-N 0 0 397.343 4.040 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccc(O)cc1 ZINC000016525220 570446480 /nfs/dbraw/zinc/44/64/80/570446480.db2.gz AOHWTIKHDDRUSH-MDWZMJQESA-N 0 0 385.379 4.170 50 5 GIBARN O=c1c2ccccc2oc2nc(-c3cccs3)n(Cc3ccccc3)c(=O)c12 ZINC000002228019 570451890 /nfs/dbraw/zinc/45/18/90/570451890.db2.gz UYIHORDLXULKDF-UHFFFAOYSA-N 0 0 386.432 4.280 50 5 GIBARN CCc1ccccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000006549654 570473121 /nfs/dbraw/zinc/47/31/21/570473121.db2.gz KZNRVQZPVLESOH-UHFFFAOYSA-N 0 0 383.429 4.298 50 5 GIBARN COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)c(OC)c1OC ZINC000096115979 570486190 /nfs/dbraw/zinc/48/61/90/570486190.db2.gz FOGIYWKHALKGLP-UHFFFAOYSA-N 0 0 391.383 4.256 50 5 GIBARN CCCCc1ccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000002064401 570501626 /nfs/dbraw/zinc/50/16/26/570501626.db2.gz DPFWLRQAANPEAA-UHFFFAOYSA-N 0 0 387.461 4.073 50 5 GIBARN Cc1cc(OCC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000072295983 570503385 /nfs/dbraw/zinc/50/33/85/570503385.db2.gz QOIHBKFGISFCDQ-SFHVURJKSA-N 0 0 392.864 4.210 50 5 GIBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1CCSc1cc(Cl)ccc1Cl ZINC000005227580 570518333 /nfs/dbraw/zinc/51/83/33/570518333.db2.gz PPWPEOBZTJIYMP-UHFFFAOYSA-N 0 0 396.255 4.404 50 5 GIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc2c(s1)CCCCC2 ZINC000005361785 570564068 /nfs/dbraw/zinc/56/40/68/570564068.db2.gz LZSVKVXOABGBKS-UHFFFAOYSA-N 0 0 389.429 4.149 50 5 GIBARN COc1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1Cl ZINC000005463613 570602281 /nfs/dbraw/zinc/60/22/81/570602281.db2.gz KQYAWRWXOJHGNL-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN COc1cc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1 ZINC000011128270 570668232 /nfs/dbraw/zinc/66/82/32/570668232.db2.gz SLSMZKQGKJLUJO-UHFFFAOYSA-N 0 0 398.459 4.097 50 5 GIBARN Cc1csc(Sc2ccc(C(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])n1 ZINC000017355450 570704936 /nfs/dbraw/zinc/70/49/36/570704936.db2.gz UTHIUXGPZAPFBL-UHFFFAOYSA-N 0 0 377.491 4.383 50 5 GIBARN Cc1c(NC(=O)CN[C@H](c2cccs2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000012795375 570715703 /nfs/dbraw/zinc/71/57/03/570715703.db2.gz QHWQZOFYIQSBBI-FQEVSTJZSA-N 0 0 399.447 4.422 50 5 GIBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 ZINC000004372499 570719356 /nfs/dbraw/zinc/71/93/56/570719356.db2.gz AQNMCDPYPROWTM-LDVJMBRRSA-N 0 0 397.434 4.071 50 5 GIBARN O=C(CSc1ncnc2sc3c(c21)CCCC3)c1cccc([N+](=O)[O-])c1 ZINC000000955191 570737479 /nfs/dbraw/zinc/73/74/79/570737479.db2.gz RNRADQDZOIUGKX-UHFFFAOYSA-N 0 0 385.470 4.453 50 5 GIBARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000001058809 570748636 /nfs/dbraw/zinc/74/86/36/570748636.db2.gz GJJVEEJOFKBQFA-HXUWFJFHSA-N 0 0 375.384 4.375 50 5 GIBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001052058 570748664 /nfs/dbraw/zinc/74/86/64/570748664.db2.gz CUVIDXKZJXUZEP-UHFFFAOYSA-N 0 0 384.823 4.362 50 5 GIBARN CCOc1ccc(C(=O)Nc2cc(NC(=O)CC)ccc2Cl)cc1[N+](=O)[O-] ZINC000001140713 570755177 /nfs/dbraw/zinc/75/51/77/570755177.db2.gz GPEYPNGZRADSCE-UHFFFAOYSA-N 0 0 391.811 4.248 50 5 GIBARN COc1ccc(C2(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CCCC2)cc1OC ZINC000001134988 570756403 /nfs/dbraw/zinc/75/64/03/570756403.db2.gz WUACLLPVHIVOEK-UHFFFAOYSA-N 0 0 384.432 4.371 50 5 GIBARN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001153416 570757408 /nfs/dbraw/zinc/75/74/08/570757408.db2.gz WEMPXQQPOIAHLL-UHFFFAOYSA-N 0 0 388.836 4.137 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000001161249 570758712 /nfs/dbraw/zinc/75/87/12/570758712.db2.gz GIFOIBRZDVABJR-UHFFFAOYSA-N 0 0 389.839 4.499 50 5 GIBARN Cc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2Cl)cccc1[N+](=O)[O-] ZINC000001181112 570790957 /nfs/dbraw/zinc/79/09/57/570790957.db2.gz MTCLNYMAHISFFF-UHFFFAOYSA-N 0 0 384.244 4.337 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000001206126 570793335 /nfs/dbraw/zinc/79/33/35/570793335.db2.gz OXETXTZIRKKHBD-UHFFFAOYSA-N 0 0 391.362 4.029 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000001216848 570795670 /nfs/dbraw/zinc/79/56/70/570795670.db2.gz GXOVLBLGODIDMN-UHFFFAOYSA-N 0 0 389.367 4.421 50 5 GIBARN O=c1[nH][nH]c(-c2ccccc2O)c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000004649876 570802240 /nfs/dbraw/zinc/80/22/40/570802240.db2.gz APQNTBCJKKGZJG-LBPRGKRZSA-N 0 0 394.214 4.203 50 5 GIBARN Cc1csc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1 ZINC000007195665 570813785 /nfs/dbraw/zinc/81/37/85/570813785.db2.gz NISRCPJTCUBHSO-UHFFFAOYSA-N 0 0 392.487 4.214 50 5 GIBARN O=[N+]([O-])c1ccccc1-c1ccc(CN2CCN(c3ccccc3F)CC2)o1 ZINC000001225365 570820459 /nfs/dbraw/zinc/82/04/59/570820459.db2.gz ZRHQOJNMMYEMSN-UHFFFAOYSA-N 0 0 381.407 4.316 50 5 GIBARN Cc1c(Cn2cc(Br)c(-c3nccs3)n2)cccc1[N+](=O)[O-] ZINC000170609007 570867011 /nfs/dbraw/zinc/86/70/11/570867011.db2.gz VTKJGFHOTRUKQY-UHFFFAOYSA-N 0 0 379.239 4.034 50 5 GIBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl ZINC000012562412 570867420 /nfs/dbraw/zinc/86/74/20/570867420.db2.gz DLPAXUMPNIKHED-CQSZACIVSA-N 0 0 387.867 4.342 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000015179613 570883961 /nfs/dbraw/zinc/88/39/61/570883961.db2.gz UBMJLEGDWLXPLX-AWEZNQCLSA-N 0 0 381.457 4.480 50 5 GIBARN Cc1ccc([C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000024527832 570887145 /nfs/dbraw/zinc/88/71/45/570887145.db2.gz CMWQNVZDHJFWFT-MRXNPFEDSA-N 0 0 399.369 4.000 50 5 GIBARN CN(Cc1ccc(Cl)cc1Cl)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000015300198 570890100 /nfs/dbraw/zinc/89/01/00/570890100.db2.gz ZLQRUOFANJGBAB-UHFFFAOYSA-N 0 0 383.231 4.400 50 5 GIBARN Cc1cc([N+](=O)[O-])c(Sc2c([N+](=O)[O-])cc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000104103914 570895336 /nfs/dbraw/zinc/89/53/36/570895336.db2.gz DUPHVEJXQABSJZ-UHFFFAOYSA-N 0 0 394.321 4.087 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NCC12CC3CC(CC(C3)C1)C2 ZINC000017076818 570926071 /nfs/dbraw/zinc/92/60/71/570926071.db2.gz PDUZIHDZJCRLIL-UHFFFAOYSA-N 0 0 375.494 4.106 50 5 GIBARN NC(=O)c1ccc(CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000016811795 570933916 /nfs/dbraw/zinc/93/39/16/570933916.db2.gz JWKSRONVSPCSFJ-UHFFFAOYSA-N 0 0 384.464 4.427 50 5 GIBARN Cc1ccc(-c2nsc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000004167366 570970549 /nfs/dbraw/zinc/97/05/49/570970549.db2.gz GXGXDWJPUMGZGH-UHFFFAOYSA-N 0 0 386.458 4.153 50 5 GIBARN Cc1csc([C@H](OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)n1 ZINC000098072330 570990428 /nfs/dbraw/zinc/99/04/28/570990428.db2.gz AWDUWWWHPPMHOT-JTQLQIEISA-N 0 0 380.731 4.474 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(-c3ccccc3)c(-c3ccc(F)cc3)nc21 ZINC000002196105 570996825 /nfs/dbraw/zinc/99/68/25/570996825.db2.gz MAVAUOUBSZQAQL-UHFFFAOYSA-N 0 0 397.409 4.044 50 5 GIBARN O=C(Cn1cc(Br)c([N+](=O)[O-])n1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000084576865 571023569 /nfs/dbraw/zinc/02/35/69/571023569.db2.gz AXURNWMSGLKHFU-UHFFFAOYSA-N 0 0 398.216 4.008 50 5 GIBARN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012775624 571029031 /nfs/dbraw/zinc/02/90/31/571029031.db2.gz ZLFACPUIGCJIQX-UHFFFAOYSA-N 0 0 387.392 4.330 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O ZINC000002427366 817388824 /nfs/dbraw/zinc/38/88/24/817388824.db2.gz ZWTIDEUGOCYHGD-UHFFFAOYSA-N 0 0 389.846 4.347 50 5 GIBARN C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002631040 817394039 /nfs/dbraw/zinc/39/40/39/817394039.db2.gz LIZQYTCSEFONOL-LLVKDONJSA-N 0 0 385.470 4.274 50 5 GIBARN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002631039 817394141 /nfs/dbraw/zinc/39/41/41/817394141.db2.gz LIZQYTCSEFONOL-NSHDSACASA-N 0 0 385.470 4.274 50 5 GIBARN COc1ccc(-c2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C)cc1 ZINC000002639695 817395415 /nfs/dbraw/zinc/39/54/15/817395415.db2.gz GCNPIYCLGRGSOW-UHFFFAOYSA-N 0 0 399.428 4.053 50 5 GIBARN O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1Cn1cc([N+](=O)[O-])cn1 ZINC000002796228 817401079 /nfs/dbraw/zinc/40/10/79/817401079.db2.gz SCKAHIZDZVLAHZ-UHFFFAOYSA-N 0 0 390.321 4.111 50 5 GIBARN O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1Cc1ccco1 ZINC000002802477 817402020 /nfs/dbraw/zinc/40/20/20/817402020.db2.gz TYHBENWLZOIYFT-UHFFFAOYSA-N 0 0 393.424 4.238 50 5 GIBARN CC[C@H]1CCc2c(sc3ncn4nc(-c5ccccc5[N+](=O)[O-])nc4c23)C1 ZINC000002804057 817402495 /nfs/dbraw/zinc/40/24/95/817402495.db2.gz CWONRGAVFDHMCM-NSHDSACASA-N 0 0 379.445 4.429 50 5 GIBARN Cc1ccccc1CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002845415 817403157 /nfs/dbraw/zinc/40/31/57/817403157.db2.gz OCCHAZXSSVHBBJ-UHFFFAOYSA-N 0 0 386.458 4.299 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccccc1C(F)(F)F ZINC000002886332 817403985 /nfs/dbraw/zinc/40/39/85/817403985.db2.gz ZONQBNDXGIQLAL-UHFFFAOYSA-N 0 0 390.749 4.191 50 5 GIBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NCc1ccco1 ZINC000002959608 817408835 /nfs/dbraw/zinc/40/88/35/817408835.db2.gz HKWBEZOTINZVLA-UHFFFAOYSA-N 0 0 388.452 4.037 50 5 GIBARN COc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1Cl ZINC000002984336 817410128 /nfs/dbraw/zinc/41/01/28/817410128.db2.gz SKGLIIPITJWWBO-UHFFFAOYSA-N 0 0 381.812 4.040 50 5 GIBARN COC(=O)c1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000003085982 817417489 /nfs/dbraw/zinc/41/74/89/817417489.db2.gz DLNDFXHZPGKLEN-UHFFFAOYSA-N 0 0 376.368 4.360 50 5 GIBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003218438 817423528 /nfs/dbraw/zinc/42/35/28/817423528.db2.gz BTNBFMCZWKEKAU-UHFFFAOYSA-N 0 0 378.753 4.018 50 5 GIBARN Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N(C)C2=S)cc1Cl ZINC000003251986 817428160 /nfs/dbraw/zinc/42/81/60/817428160.db2.gz CXMLXQJOXSMKOY-SXGWCWSVSA-N 0 0 387.848 4.161 50 5 GIBARN Cc1nc(COc2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)c2)cs1 ZINC000012797988 818182029 /nfs/dbraw/zinc/18/20/29/818182029.db2.gz MFIVYALLHNRYDI-UHFFFAOYSA-N 0 0 383.429 4.499 50 5 GIBARN O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000019799908 818605966 /nfs/dbraw/zinc/60/59/66/818605966.db2.gz XDLIHLDZGQTQLB-FQEVSTJZSA-N 0 0 391.383 4.217 50 5 GIBARN CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000020897435 818638059 /nfs/dbraw/zinc/63/80/59/818638059.db2.gz FFSYMWNAXIVEQG-LBPRGKRZSA-N 0 0 389.477 4.220 50 5 GIBARN CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1ccc([N+](=O)[O-])cc1Cl ZINC000021091309 818652325 /nfs/dbraw/zinc/65/23/25/818652325.db2.gz VKZZIXBDFRBNNV-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN COc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000021106446 818654295 /nfs/dbraw/zinc/65/42/95/818654295.db2.gz TUAZTRVTKNTTFN-HXUWFJFHSA-N 0 0 390.399 4.078 50 5 GIBARN O=c1c2ccc[nH]c-2c(Nc2cc([N+](=O)[O-])ccc2Cl)n1Cc1ccccc1 ZINC000021107242 818654356 /nfs/dbraw/zinc/65/43/56/818654356.db2.gz OQABTIWQFNCDGB-IBGZPJMESA-N 0 0 394.818 4.410 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C(C)C)n1cnc2cc(F)c(F)cc21 ZINC000058171889 823366660 /nfs/dbraw/zinc/36/66/60/823366660.db2.gz ZOEKJZXLQVVTQC-SFHVURJKSA-N 0 0 388.374 4.367 50 5 GIBARN Cc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccc(Cl)cc12 ZINC000023634125 818968703 /nfs/dbraw/zinc/96/87/03/818968703.db2.gz ZKDPOOKAUAWXQJ-UHFFFAOYSA-N 0 0 382.851 4.431 50 5 GIBARN COc1ccc(C2=N/C(=C\C(Cl)=C\c3ccccc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000027519230 820255912 /nfs/dbraw/zinc/25/59/12/820255912.db2.gz PGZWMZOOIFPJRV-FBXUGWQNSA-N 0 0 384.775 4.071 50 5 GIBARN CCc1ccc(CN(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1 ZINC000027584590 820263869 /nfs/dbraw/zinc/26/38/69/820263869.db2.gz NWEWPWZFUHSYEH-UHFFFAOYSA-N 0 0 391.427 4.164 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C/C=C\c2ccccc2)CC1 ZINC000033411420 821055673 /nfs/dbraw/zinc/05/56/73/821055673.db2.gz GWNCXOSJKQXLGZ-DAXSKMNVSA-N 0 0 391.393 4.449 50 5 GIBARN Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000033504108 821056972 /nfs/dbraw/zinc/05/69/72/821056972.db2.gz OFVWOABUOROMLR-SEYXRHQNSA-N 0 0 377.400 4.154 50 5 GIBARN Cc1cc(NC(=O)COC(=O)/C=C\c2ccc(Cl)cc2)c([N+](=O)[O-])cc1C ZINC000033530625 821057366 /nfs/dbraw/zinc/05/73/66/821057366.db2.gz ZPQLFKWMBUNXNW-YVMONPNESA-N 0 0 388.807 4.060 50 5 GIBARN COc1ccc(CCNC(=O)c2cc3ccccc3c3cccnc23)cc1OC ZINC000040105409 821138813 /nfs/dbraw/zinc/13/88/13/821138813.db2.gz DOPXDPUBJNMKFC-UHFFFAOYSA-N 0 0 386.451 4.378 50 5 GIBARN CCc1cc(N2CCC[C@H](C(F)(F)F)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000040155607 821151147 /nfs/dbraw/zinc/15/11/47/821151147.db2.gz YRACFAIMYWDMNX-ZDUSSCGKSA-N 0 0 380.370 4.393 50 5 GIBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1C1CCCCC1 ZINC000055599596 822985665 /nfs/dbraw/zinc/98/56/65/822985665.db2.gz NYJUQLWWFIWNQB-LJQANCHMSA-N 0 0 385.508 4.383 50 5 GIBARN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000011214183 203827413 /nfs/dbraw/zinc/82/74/13/203827413.db2.gz UPKVZUQLURMNNR-MRXNPFEDSA-N 0 0 375.222 4.238 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] ZINC000001185437 203894512 /nfs/dbraw/zinc/89/45/12/203894512.db2.gz ZDGYIVKGUQUMLY-UHFFFAOYSA-N 0 0 383.173 4.147 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000001199680 203895625 /nfs/dbraw/zinc/89/56/25/203895625.db2.gz AWOFITMTFDIHLJ-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN Cc1cc(OCC(=O)c2cccc([N+](=O)[O-])c2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000001118953 203885566 /nfs/dbraw/zinc/88/55/66/203885566.db2.gz UGVOMCJESRMZSK-UHFFFAOYSA-N 0 0 393.395 4.150 50 5 GIBARN O=C(N[C@@H](Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl)c1ccccc1 ZINC000001452619 203909891 /nfs/dbraw/zinc/90/98/91/203909891.db2.gz JMXYHBNWWKJYEC-AWEZNQCLSA-N 0 0 389.622 4.100 50 5 GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002404169 203942522 /nfs/dbraw/zinc/94/25/22/203942522.db2.gz UIRUULZASDOYSA-UHFFFAOYSA-N 0 0 387.418 4.141 50 5 GIBARN O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000003066106 203984664 /nfs/dbraw/zinc/98/46/64/203984664.db2.gz RJUIJSWBRRSTNS-UHFFFAOYSA-N 0 0 383.385 4.387 50 5 GIBARN Cc1nc(N2CCCC2)sc1C(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002637977 203953303 /nfs/dbraw/zinc/95/33/03/203953303.db2.gz MEOAZZSPFUCXKR-UHFFFAOYSA-N 0 0 382.898 4.401 50 5 GIBARN O=C(c1cccc([N+](=O)[O-])c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000003426575 204006523 /nfs/dbraw/zinc/00/65/23/204006523.db2.gz VQMJHMFEMJQBDM-OAHLLOKOSA-N 0 0 383.429 4.030 50 5 GIBARN CCOC(=O)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000003622623 204016071 /nfs/dbraw/zinc/01/60/71/204016071.db2.gz YHRBCOBTABVQTA-LJQANCHMSA-N 0 0 398.459 4.317 50 5 GIBARN C[C@@H](Nc1cc(N2CCOCC2)ccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000003998637 204022502 /nfs/dbraw/zinc/02/25/02/204022502.db2.gz TXHBCNWBGGAEEL-NOCBQHASSA-N 0 0 385.508 4.448 50 5 GIBARN O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004032661 204024202 /nfs/dbraw/zinc/02/42/02/204024202.db2.gz NKUCSMLEPSOPSU-UHFFFAOYSA-N 0 0 388.836 4.165 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2oc3c(c2c1)CCCC3 ZINC000004149969 204029474 /nfs/dbraw/zinc/02/94/74/204029474.db2.gz YZSCDYBBLJGWLE-UHFFFAOYSA-N 0 0 386.429 4.329 50 5 GIBARN COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000004392470 204043156 /nfs/dbraw/zinc/04/31/56/204043156.db2.gz MNOUUDNNLQWVKK-UHFFFAOYSA-N 0 0 397.456 4.008 50 5 GIBARN O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004695721 204065182 /nfs/dbraw/zinc/06/51/82/204065182.db2.gz OWNJWJIDPIRRPF-UHFFFAOYSA-N 0 0 387.351 4.016 50 5 GIBARN CCN(CC)c1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)cc1[N+](=O)[O-] ZINC000004819283 204079035 /nfs/dbraw/zinc/07/90/35/204079035.db2.gz UTVHTSRHMUGJNU-UHFFFAOYSA-N 0 0 376.482 4.447 50 5 GIBARN Cc1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)c([N+](=O)[O-])c1 ZINC000004834215 204080862 /nfs/dbraw/zinc/08/08/62/204080862.db2.gz AUNMTDMADYBRPJ-UHFFFAOYSA-N 0 0 393.237 4.300 50 5 GIBARN Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004834347 204081320 /nfs/dbraw/zinc/08/13/20/204081320.db2.gz NARAISHEVAEJDY-NSHDSACASA-N 0 0 379.210 4.072 50 5 GIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@@H]2CCCO2)cc1Cl ZINC000004873339 204084191 /nfs/dbraw/zinc/08/41/91/204084191.db2.gz OSGLXYXKUQNVGU-HNNXBMFYSA-N 0 0 389.839 4.400 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)c1ccccc1oc2=O ZINC000004875705 204085567 /nfs/dbraw/zinc/08/55/67/204085567.db2.gz HFQSUOJLSRJVAZ-UHFFFAOYSA-N 0 0 396.380 4.177 50 5 GIBARN O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(C2CCCCC2)cc1 ZINC000004433987 204045183 /nfs/dbraw/zinc/04/51/83/204045183.db2.gz QYENGOMANFRBHQ-UHFFFAOYSA-N 0 0 392.411 4.121 50 5 GIBARN Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(-c2ccccc2)o1 ZINC000004498699 204048534 /nfs/dbraw/zinc/04/85/34/204048534.db2.gz KGTFDZLFVGYUHD-UHFFFAOYSA-N 0 0 391.427 4.126 50 5 GIBARN Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004652313 204059035 /nfs/dbraw/zinc/05/90/35/204059035.db2.gz JJZBMSRKDPFJRZ-PGBBXINNSA-N 0 0 387.436 4.146 50 5 GIBARN Cc1cc(Cl)ccc1NC=C1N=C(C=Cc2cccc([N+](=O)[O-])c2)OC1=O ZINC000004644355 204059842 /nfs/dbraw/zinc/05/98/42/204059842.db2.gz LGXZLJVLLLHAKK-NSYQEJESSA-N 0 0 383.791 4.479 50 5 GIBARN O=C(Nc1cc([N+](=O)[O-])ccc1NCCc1ccccc1)c1ccccc1O ZINC000004628640 204059876 /nfs/dbraw/zinc/05/98/76/204059876.db2.gz PBPJXXXGJQXUPQ-UHFFFAOYSA-N 0 0 377.400 4.207 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)N2CCn3cccc3[C@H]2c2cccs2)cc1 ZINC000004659405 204060896 /nfs/dbraw/zinc/06/08/96/204060896.db2.gz JUNUWBWUOZFSTD-KRWDZBQOSA-N 0 0 384.486 4.260 50 5 GIBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)COc1ccc(Br)cc1 ZINC000004689058 204063848 /nfs/dbraw/zinc/06/38/48/204063848.db2.gz RPQIHPMKASFETA-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000004691191 204064277 /nfs/dbraw/zinc/06/42/77/204064277.db2.gz VNHOZNIFCPJIBW-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1c(C)cc(Cl)cc1Cl ZINC000005093713 204110689 /nfs/dbraw/zinc/11/06/89/204110689.db2.gz QBNKYOJAJLOYGG-UHFFFAOYSA-N 0 0 385.203 4.236 50 5 GIBARN COc1ccccc1Nc1nc(Nc2ccc(C)c(C)c2)nc(N)c1[N+](=O)[O-] ZINC000005094078 204111203 /nfs/dbraw/zinc/11/12/03/204111203.db2.gz HNJMJFKOHYTMAX-UHFFFAOYSA-N 0 0 380.408 4.080 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000005142968 204114964 /nfs/dbraw/zinc/11/49/64/204114964.db2.gz JNQNSSMSKDFHPC-FOIQADDNSA-N 0 0 398.459 4.344 50 5 GIBARN CCOc1ccc(Nc2nc(Nc3cccc(C)c3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005156756 204115521 /nfs/dbraw/zinc/11/55/21/204115521.db2.gz YKACSEVHSJHLLE-UHFFFAOYSA-N 0 0 380.408 4.161 50 5 GIBARN Cc1ccc(-c2nc(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])n[nH]2)cc1 ZINC000005211172 204118788 /nfs/dbraw/zinc/11/87/88/204118788.db2.gz SFPPKHAPOCQIOX-UHFFFAOYSA-N 0 0 397.460 4.036 50 5 GIBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000005219735 204121017 /nfs/dbraw/zinc/12/10/17/204121017.db2.gz FIJNMTSWOXCPDI-UHFFFAOYSA-N 0 0 378.436 4.248 50 5 GIBARN Cc1sc2ncnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1C ZINC000004976404 204098688 /nfs/dbraw/zinc/09/86/88/204098688.db2.gz FVDWRSREHYTFFM-UHFFFAOYSA-N 0 0 388.474 4.256 50 5 GIBARN CCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccc(C)cc3nc21 ZINC000005046776 204107137 /nfs/dbraw/zinc/10/71/37/204107137.db2.gz KHABIOZEFNZGSH-UHFFFAOYSA-N 0 0 389.415 4.463 50 5 GIBARN CCOc1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC ZINC000005781900 204152030 /nfs/dbraw/zinc/15/20/30/204152030.db2.gz MAAWZWBGHWHPGN-UHFFFAOYSA-N 0 0 389.404 4.148 50 5 GIBARN CSc1ccc(C(=O)c2ccccc2C(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000006084108 204163880 /nfs/dbraw/zinc/16/38/80/204163880.db2.gz QJXWBQGXPNWZPO-UHFFFAOYSA-N 0 0 399.453 4.257 50 5 GIBARN CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006871985 204217989 /nfs/dbraw/zinc/21/79/89/204217989.db2.gz AWBMKRHIWOVOHG-UYAOXDASSA-N 0 0 395.415 4.083 50 5 GIBARN O=C(CSc1nc2ccccc2c2nc3ccccc3n21)NCc1ccccc1 ZINC000006517075 204182560 /nfs/dbraw/zinc/18/25/60/204182560.db2.gz ZDXTVHYEBZEVPI-UHFFFAOYSA-N 0 0 398.491 4.444 50 5 GIBARN Cc1ccc(-n2nnnc2Sc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 ZINC000006552554 204183928 /nfs/dbraw/zinc/18/39/28/204183928.db2.gz WHAJERQTCNMIOI-UHFFFAOYSA-N 0 0 381.339 4.049 50 5 GIBARN O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccccc1[N+](=O)[O-] ZINC000006660813 204190586 /nfs/dbraw/zinc/19/05/86/204190586.db2.gz CXRMUDFINHKQBG-UHFFFAOYSA-N 0 0 378.315 4.246 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 ZINC000007003235 204229675 /nfs/dbraw/zinc/22/96/75/204229675.db2.gz MIOSSPWIXFAZTQ-OAHLLOKOSA-N 0 0 398.463 4.033 50 5 GIBARN COc1cc(Nc2ncccc2[N+](=O)[O-])c(OC)cc1NC(=O)c1ccccc1 ZINC000007186460 204234675 /nfs/dbraw/zinc/23/46/75/204234675.db2.gz HZEBRRXDNKMPIX-UHFFFAOYSA-N 0 0 394.387 4.003 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccccc1Cl ZINC000008080214 204261532 /nfs/dbraw/zinc/26/15/32/204261532.db2.gz NUBZLTRBXJPGFC-UHFFFAOYSA-N 0 0 396.852 4.215 50 5 GIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1OCCOc1ccccc1 ZINC000008158153 204264364 /nfs/dbraw/zinc/26/43/64/204264364.db2.gz BFFNJFAEWJYRMR-UHFFFAOYSA-N 0 0 396.374 4.444 50 5 GIBARN Cc1cccc(C(=O)Nc2nnc(C[C@H](C)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000009196898 204301892 /nfs/dbraw/zinc/30/18/92/204301892.db2.gz SVBYPQCUPNXUMS-ZDUSSCGKSA-N 0 0 382.445 4.353 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000009272705 204305530 /nfs/dbraw/zinc/30/55/30/204305530.db2.gz DBKXSRBRJUWKLY-UHFFFAOYSA-N 0 0 399.406 4.283 50 5 GIBARN Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCC1OCCO1 ZINC000009419613 204310223 /nfs/dbraw/zinc/31/02/23/204310223.db2.gz OMDHUPPTLNGUPS-UHFFFAOYSA-N 0 0 398.260 4.263 50 5 GIBARN O=C(CCc1ccc(-c2ccccc2)o1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000009890487 204326156 /nfs/dbraw/zinc/32/61/56/204326156.db2.gz MLDLVMXDPFDBJT-UHFFFAOYSA-N 0 0 379.416 4.016 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010546334 204336723 /nfs/dbraw/zinc/33/67/23/204336723.db2.gz OEJPVNJFSFZGAH-GFCCVEGCSA-N 0 0 384.823 4.144 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000009090803 204299045 /nfs/dbraw/zinc/29/90/45/204299045.db2.gz GKORSEAFCMPELE-UHFFFAOYSA-N 0 0 391.309 4.443 50 5 GIBARN NC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000009118225 204299638 /nfs/dbraw/zinc/29/96/38/204299638.db2.gz YBJSERLJAZNTEI-UHFFFAOYSA-N 0 0 399.406 4.341 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)Nc1ccc(C(F)(F)F)cc1 ZINC000009141108 204299907 /nfs/dbraw/zinc/29/99/07/204299907.db2.gz NJEVEZRAWUMFIA-UHFFFAOYSA-N 0 0 391.305 4.179 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000011074929 204342303 /nfs/dbraw/zinc/34/23/03/204342303.db2.gz CTZMJRLDQFADEM-UHFFFAOYSA-N 0 0 377.400 4.014 50 5 GIBARN Cc1cccc(C(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1[N+](=O)[O-] ZINC000012760797 204443486 /nfs/dbraw/zinc/44/34/86/204443486.db2.gz NSWKRETXWPEXMC-UHFFFAOYSA-N 0 0 389.383 4.481 50 5 GIBARN O=c1nc(-c2cccn2-c2ccc([N+](=O)[O-])cc2)[nH]c2sc3c(c21)CCCC3 ZINC000018201390 204618330 /nfs/dbraw/zinc/61/83/30/204618330.db2.gz UJXXWHPJCFVOFT-UHFFFAOYSA-N 0 0 392.440 4.229 50 5 GIBARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000021107875 204752495 /nfs/dbraw/zinc/75/24/95/204752495.db2.gz BHJYEZIUWBHKIQ-IBGZPJMESA-N 0 0 378.363 4.208 50 5 GIBARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c([N+](=O)[O-])c1 ZINC000021105985 204752922 /nfs/dbraw/zinc/75/29/22/204752922.db2.gz WJLMVTSEYXTZTI-GOSISDBHSA-N 0 0 380.429 4.126 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccccc1Br ZINC000040095720 204870857 /nfs/dbraw/zinc/87/08/57/204870857.db2.gz QITAHFWBWYODRC-UHFFFAOYSA-N 0 0 378.226 4.330 50 5 GIBARN CC(C)[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000032858396 204924682 /nfs/dbraw/zinc/92/46/82/204924682.db2.gz YQYRXZVSZDGLHY-GOSISDBHSA-N 0 0 385.445 4.342 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2sc(C)nc2C)o1 ZINC000036806623 205021861 /nfs/dbraw/zinc/02/18/61/205021861.db2.gz PLNQYJYPHDURHY-UHFFFAOYSA-N 0 0 378.435 4.019 50 5 GIBARN CC(C)CNC(=O)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000037554848 205028791 /nfs/dbraw/zinc/02/87/91/205028791.db2.gz HVRGVXSZSYHHQP-UHFFFAOYSA-N 0 0 375.856 4.175 50 5 GIBARN Cc1ccc([C@](O)(CCNc2ccc([N+](=O)[O-])c3cccnc23)C(F)(F)F)o1 ZINC000040051247 205048603 /nfs/dbraw/zinc/04/86/03/205048603.db2.gz HDRVIYDSLJVWCP-QGZVFWFLSA-N 0 0 395.337 4.297 50 5 GIBARN CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000072277130 205320732 /nfs/dbraw/zinc/32/07/32/205320732.db2.gz YBPGGRDMUKOEFK-ROUUACIJSA-N 0 0 388.489 4.161 50 5 GIBARN CC(=O)CCc1ccc(OCC(=O)O[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000095964583 205510900 /nfs/dbraw/zinc/51/09/00/205510900.db2.gz BEWUASYEWRUNLA-INIZCTEOSA-N 0 0 385.416 4.108 50 5 GIBARN Cc1ccc(C(=O)N[C@@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1C ZINC000096289221 205556055 /nfs/dbraw/zinc/55/60/55/205556055.db2.gz DIJWHZATZJHDJP-GOSISDBHSA-N 0 0 394.431 4.389 50 5 GIBARN Cc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102703925 205634511 /nfs/dbraw/zinc/63/45/11/205634511.db2.gz FQUBQBORJYROIZ-YJYMSZOUSA-N 0 0 391.387 4.153 50 5 GIBARN CC(=O)NCCCc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000048375139 205666846 /nfs/dbraw/zinc/66/68/46/205666846.db2.gz JEAUREKMAUSIEK-UHFFFAOYSA-N 0 0 381.457 4.454 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 ZINC000004767649 205751179 /nfs/dbraw/zinc/75/11/79/205751179.db2.gz ZKOAQINALXEVCQ-UHFFFAOYSA-N 0 0 388.445 4.029 50 5 GIBARN O=C(CCCc1c[nH]c2ccccc12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000007339345 205784830 /nfs/dbraw/zinc/78/48/30/205784830.db2.gz CYKYQDFEZZXRHE-UHFFFAOYSA-N 0 0 396.399 4.009 50 5 GIBARN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)c1ccc(Cl)cc1Cl ZINC000012524084 205877162 /nfs/dbraw/zinc/87/71/62/205877162.db2.gz LKBNVOICCSCTRW-OBGWFSINSA-N 0 0 382.228 4.196 50 5 GIBARN CC(C)c1ccc([C@@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000032860103 206094006 /nfs/dbraw/zinc/09/40/06/206094006.db2.gz WPLJNMHAIWLSPR-MRXNPFEDSA-N 0 0 397.475 4.364 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc(Br)cc1 ZINC000005063854 220823536 /nfs/dbraw/zinc/82/35/36/220823536.db2.gz KKEQKRUXKIVNBG-KRWDZBQOSA-N 0 0 388.221 4.055 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@H](C(F)(F)F)C1 ZINC000004063433 136193724 /nfs/dbraw/zinc/19/37/24/136193724.db2.gz UECWBKVDZUIWTH-ZETCQYMHSA-N 0 0 387.236 4.301 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000000939671 570230241 /nfs/dbraw/zinc/23/02/41/570230241.db2.gz MBANFZCVZSZLAP-DHZHZOJOSA-N 0 0 387.347 4.473 50 5 GIBARN CCN(Cc1ccc(Cl)s1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000048343103 570239870 /nfs/dbraw/zinc/23/98/70/570239870.db2.gz VYRIGUUWEFEGPV-UHFFFAOYSA-N 0 0 377.857 4.048 50 5 GIBARN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1c(F)cccc1Cl ZINC000001513523 570264087 /nfs/dbraw/zinc/26/40/87/570264087.db2.gz CELPAOYBAWMKHW-QPEQYQDCSA-N 0 0 381.146 4.385 50 5 GIBARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015866732 570277419 /nfs/dbraw/zinc/27/74/19/570277419.db2.gz DPINNLQKLBHKEQ-MRXNPFEDSA-N 0 0 380.491 4.271 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@@H](C)c2ccc(F)c(F)c2)c1C ZINC000012886435 570284698 /nfs/dbraw/zinc/28/46/98/570284698.db2.gz OBTBQYGXRXIPPD-ZDUSSCGKSA-N 0 0 377.391 4.121 50 5 GIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002424113 570286581 /nfs/dbraw/zinc/28/65/81/570286581.db2.gz WCKSZSKYFIDBPD-CYBMUJFWSA-N 0 0 387.418 4.394 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cc(Cl)cc2c1OCOC2 ZINC000012902415 570287819 /nfs/dbraw/zinc/28/78/19/570287819.db2.gz TYHQKNNZLVMNQF-UHFFFAOYSA-N 0 0 383.231 4.400 50 5 GIBARN CC(C)(C)c1ccc(S(=O)(=O)C(=CNc2ccc(F)cc2)[N+](=O)[O-])cc1 ZINC000002561666 570290939 /nfs/dbraw/zinc/29/09/39/570290939.db2.gz IEJNMPBMGGXTRC-ATVHPVEESA-N 0 0 378.425 4.085 50 5 GIBARN COc1ccc([C@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000014157914 570293979 /nfs/dbraw/zinc/29/39/79/570293979.db2.gz QBTQDFJCQCMYLA-JOCHJYFZSA-N 0 0 376.412 4.052 50 5 GIBARN O=C(CCSc1nnc(C2CCCCC2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000026372736 570326061 /nfs/dbraw/zinc/32/60/61/570326061.db2.gz OJAHZZFXHSEXIR-UHFFFAOYSA-N 0 0 376.438 4.146 50 5 GIBARN Cc1nn(C(=O)c2ccc([N+](=O)[O-])o2)c(C)c1Sc1ccc(Cl)cc1 ZINC000003182034 570326799 /nfs/dbraw/zinc/32/67/99/570326799.db2.gz KTOFUJWINPEZIW-UHFFFAOYSA-N 0 0 377.809 4.494 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1ccc(Cl)cc1 ZINC000004907374 570359609 /nfs/dbraw/zinc/35/96/09/570359609.db2.gz HYBYMRVJBJCKBZ-UHFFFAOYSA-N 0 0 376.796 4.019 50 5 GIBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100503683 570375149 /nfs/dbraw/zinc/37/51/49/570375149.db2.gz FUONGWBTJSAQBD-ROUUACIJSA-N 0 0 382.441 4.426 50 5 GIBARN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000830408 570381525 /nfs/dbraw/zinc/38/15/25/570381525.db2.gz ONYFOPKBVRHIGQ-UHFFFAOYSA-N 0 0 376.324 4.214 50 5 GIBARN Cc1ccc(NC(=O)[C@@H](Sc2nccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006369240 570401860 /nfs/dbraw/zinc/40/18/60/570401860.db2.gz YZQAOVFOLSSAAU-KRWDZBQOSA-N 0 0 382.445 4.109 50 5 GIBARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000005063815 570409052 /nfs/dbraw/zinc/40/90/52/570409052.db2.gz OXMVMRQBSQOMRT-UHFFFAOYSA-N 0 0 393.237 4.300 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000005063950 570409077 /nfs/dbraw/zinc/40/90/77/570409077.db2.gz CUQFUFRUOUOSGF-UHFFFAOYSA-N 0 0 387.505 4.323 50 5 GIBARN CCCCCC(=O)N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001787065 570423358 /nfs/dbraw/zinc/42/33/58/570423358.db2.gz DCGQECDXZBESQM-CYBMUJFWSA-N 0 0 382.675 4.400 50 5 GIBARN CCCOc1ccc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc1 ZINC000001779655 570423410 /nfs/dbraw/zinc/42/34/10/570423410.db2.gz DYNIGFTVLLWTQZ-YVLHZVERSA-N 0 0 386.791 4.382 50 5 GIBARN Cc1ccccc1-c1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nn1 ZINC000005411784 570588259 /nfs/dbraw/zinc/58/82/59/570588259.db2.gz XYUSXLJXSUIXNS-UHFFFAOYSA-N 0 0 380.429 4.091 50 5 GIBARN O=[N+]([O-])c1cccc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)c1 ZINC000004341596 570676720 /nfs/dbraw/zinc/67/67/20/570676720.db2.gz HZMRRBJGTOEDQD-UHFFFAOYSA-N 0 0 381.392 4.155 50 5 GIBARN CCN(CC)C(=O)[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 ZINC000017483852 570705219 /nfs/dbraw/zinc/70/52/19/570705219.db2.gz GHGZNVNCQQBEJF-KRWDZBQOSA-N 0 0 390.823 4.015 50 5 GIBARN COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccco3)C[C@@H]21 ZINC000000934707 570727435 /nfs/dbraw/zinc/72/74/35/570727435.db2.gz UQBKHUFJFIBJTF-UWJYYQICSA-N 0 0 391.383 4.439 50 5 GIBARN CCc1cc2c(cc1OC(C)=O)oc(C)c(Oc1ccc([N+](=O)[O-])cc1)c2=O ZINC000000973617 570741312 /nfs/dbraw/zinc/74/13/12/570741312.db2.gz JANHFXNQHJUPKG-UHFFFAOYSA-N 0 0 383.356 4.290 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 ZINC000001057967 570748471 /nfs/dbraw/zinc/74/84/71/570748471.db2.gz YPOGBXLQVAFFAO-UHFFFAOYSA-N 0 0 382.401 4.380 50 5 GIBARN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H]1c1cccs1 ZINC000025424017 570751258 /nfs/dbraw/zinc/75/12/58/570751258.db2.gz ADMMBRJCOLZJRW-IAQYHMDHSA-N 0 0 379.869 4.474 50 5 GIBARN Cc1ccc(C(=O)C2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c(C)c1 ZINC000025487818 570754421 /nfs/dbraw/zinc/75/44/21/570754421.db2.gz MZWNSFGAYGYQHC-UHFFFAOYSA-N 0 0 392.459 4.114 50 5 GIBARN O=C(Nc1ccc(Cl)cn1)c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000001125205 570754803 /nfs/dbraw/zinc/75/48/03/570754803.db2.gz DGHILMNMKCTIRH-UHFFFAOYSA-N 0 0 383.791 4.475 50 5 GIBARN O=C(Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1)c1ccccc1 ZINC000001124606 570754843 /nfs/dbraw/zinc/75/48/43/570754843.db2.gz KEBNZVFEUFKTNB-UHFFFAOYSA-N 0 0 379.347 4.239 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] ZINC000001158193 570757649 /nfs/dbraw/zinc/75/76/49/570757649.db2.gz RLLAGTOOYLLIGJ-UHFFFAOYSA-N 0 0 379.210 4.317 50 5 GIBARN O=C(COc1ccc(Br)cc1Cl)Nc1cccc([N+](=O)[O-])c1 ZINC000001169001 570759303 /nfs/dbraw/zinc/75/93/03/570759303.db2.gz UXMWTDKBTMDLKP-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN CCOc1cc(C=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000001178530 570789056 /nfs/dbraw/zinc/78/90/56/570789056.db2.gz PNKANVDZWYXDGW-UHFFFAOYSA-N 0 0 380.194 4.148 50 5 GIBARN Cc1c(C(=O)NC(=S)Nc2ccc(N3CCCCC3)cc2)cccc1[N+](=O)[O-] ZINC000001180097 570789061 /nfs/dbraw/zinc/78/90/61/570789061.db2.gz AHEUFQDZENBGRI-UHFFFAOYSA-N 0 0 398.488 4.020 50 5 GIBARN Cc1c(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)cccc1[N+](=O)[O-] ZINC000001183209 570791206 /nfs/dbraw/zinc/79/12/06/570791206.db2.gz HVTOXSMIICIAPI-UHFFFAOYSA-N 0 0 391.452 4.282 50 5 aggregator GIBARN O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)cc1 ZINC000101070083 570792349 /nfs/dbraw/zinc/79/23/49/570792349.db2.gz FRDYXGMMOUGARM-INIZCTEOSA-N 0 0 398.220 4.005 50 5 GIBARN O=C(Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)c1ccco1 ZINC000001215948 570795619 /nfs/dbraw/zinc/79/56/19/570795619.db2.gz PSFNANGHBGJGCC-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN CCc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1[N+](=O)[O-] ZINC000032796318 570818220 /nfs/dbraw/zinc/81/82/20/570818220.db2.gz IQKFIEDBFPCHKC-FQEVSTJZSA-N 0 0 379.416 4.060 50 5 GIBARN O=C(OCc1cc(-c2ccccc2)no1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000012522141 570828867 /nfs/dbraw/zinc/82/88/67/570828867.db2.gz BSSJYAMMWLCLBP-UHFFFAOYSA-N 0 0 393.399 4.207 50 5 GIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccc(Cl)cc1 ZINC000004701965 570842434 /nfs/dbraw/zinc/84/24/34/570842434.db2.gz PLUZOJKOBHEZFO-BJMVGYQFSA-N 0 0 376.865 4.311 50 5 GIBARN CC(C)c1noc2ncc(C(=O)Nc3ccc([N+](=O)[O-])c4ncccc34)cc21 ZINC000170596309 570854760 /nfs/dbraw/zinc/85/47/60/570854760.db2.gz SKTJDGPLRGRVBU-UHFFFAOYSA-N 0 0 377.360 4.055 50 5 GIBARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000007516088 570862248 /nfs/dbraw/zinc/86/22/48/570862248.db2.gz XVVIXCUVJPWWHJ-LJQANCHMSA-N 0 0 393.468 4.190 50 5 GIBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000102782511 570863546 /nfs/dbraw/zinc/86/35/46/570863546.db2.gz OUOSTUCAUOXMPU-IRXDYDNUSA-N 0 0 397.406 4.026 50 5 GIBARN O=[N+]([O-])c1ccc(CN2C[C@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000170607502 570864839 /nfs/dbraw/zinc/86/48/39/570864839.db2.gz DOCLTZDTDHGEKL-PBHICJAKSA-N 0 0 384.329 4.061 50 5 GIBARN Cc1cc(Br)ccc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000012564892 570869743 /nfs/dbraw/zinc/86/97/43/570869743.db2.gz LDCLYMTVASNKHT-UHFFFAOYSA-N 0 0 392.253 4.497 50 5 GIBARN Cc1ccc(-c2ccc(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nn2)cc1 ZINC000010220834 570892207 /nfs/dbraw/zinc/89/22/07/570892207.db2.gz RCUFISFPJYYJEY-UHFFFAOYSA-N 0 0 398.419 4.230 50 5 GIBARN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004570420 570892532 /nfs/dbraw/zinc/89/25/32/570892532.db2.gz NCLNVPUMTKDUAB-UHFFFAOYSA-N 0 0 389.458 4.100 50 5 GIBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000001230639 570898526 /nfs/dbraw/zinc/89/85/26/570898526.db2.gz MQBCEGHVULAGHW-UHFFFAOYSA-N 0 0 381.624 4.356 50 5 GIBARN Cc1nn(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C)c1Sc1ccccc1 ZINC000002070513 570909220 /nfs/dbraw/zinc/90/92/20/570909220.db2.gz PEYAPIDQUJSHHO-UHFFFAOYSA-N 0 0 398.400 4.156 50 5 GIBARN CCc1ccc2nc(C)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000017077344 570926158 /nfs/dbraw/zinc/92/61/58/570926158.db2.gz GUORPOJUMJRNKY-UHFFFAOYSA-N 0 0 378.384 4.054 50 5 GIBARN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccco1 ZINC000001411740 570986269 /nfs/dbraw/zinc/98/62/69/570986269.db2.gz GLYWZYNITCGWQB-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCC[C@@H]1Cc1ccccc1 ZINC000012758102 571007547 /nfs/dbraw/zinc/00/75/47/571007547.db2.gz YRSPWQOHKQSAJZ-HXUWFJFHSA-N 0 0 396.490 4.388 50 5 GIBARN Cc1ccc2c(C)c(CCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(=O)oc2c1 ZINC000012773275 571027136 /nfs/dbraw/zinc/02/71/36/571027136.db2.gz YWRZBYLRFODCPZ-UHFFFAOYSA-N 0 0 380.400 4.198 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(COc2ccc(C)cc2)n1 ZINC000012774348 571027832 /nfs/dbraw/zinc/02/78/32/571027832.db2.gz CIUNDKIAWGUFHC-UHFFFAOYSA-N 0 0 399.428 4.200 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(CC)cc2)c1=O ZINC000002407380 817387602 /nfs/dbraw/zinc/38/76/02/817387602.db2.gz SACHQECEQPPOCP-UHFFFAOYSA-N 0 0 383.455 4.256 50 5 GIBARN Cc1cccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)c1C ZINC000002723722 817398550 /nfs/dbraw/zinc/39/85/50/817398550.db2.gz YOXQLAVQAZIUCY-UHFFFAOYSA-N 0 0 382.445 4.128 50 5 GIBARN Cc1ccc2[nH]c(SCC(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)nc2c1 ZINC000002730863 817398960 /nfs/dbraw/zinc/39/89/60/817398960.db2.gz GWSPTAVQZDPNRK-UHFFFAOYSA-N 0 0 399.457 4.120 50 5 GIBARN O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000002761837 817399329 /nfs/dbraw/zinc/39/93/29/817399329.db2.gz RKCQGXRCVAKOBE-UHFFFAOYSA-N 0 0 390.264 4.265 50 5 GIBARN Cc1nn(C)c(C)c1CN(C)C(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000002769642 817399757 /nfs/dbraw/zinc/39/97/57/817399757.db2.gz AGSMSLRMBRTNIM-UHFFFAOYSA-N 0 0 392.868 4.085 50 5 GIBARN O=C(Nc1cc(OCC(F)(F)C(F)F)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000002762573 817399815 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GIBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c(NC[C@H]3CCCO3)n2)c1 ZINC000002948677 817408254 /nfs/dbraw/zinc/40/82/54/817408254.db2.gz OFGCCFSDNBHZTF-MRXNPFEDSA-N 0 0 396.472 4.421 50 5 GIBARN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002995680 817410801 /nfs/dbraw/zinc/41/08/01/817410801.db2.gz WWAYDPQTYYEABM-ONNFQVAWSA-N 0 0 388.807 4.467 50 5 GIBARN O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000003122778 817418284 /nfs/dbraw/zinc/41/82/84/817418284.db2.gz BVGGLQALKCTCRK-CQSZACIVSA-N 0 0 389.622 4.100 50 5 GIBARN Cc1nn(C)c(C)c1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003220756 817423566 /nfs/dbraw/zinc/42/35/66/817423566.db2.gz RZKKSZBBVJQPAZ-UHFFFAOYSA-N 0 0 382.445 4.349 50 5 GIBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)nc2c3ccccc3oc(=O)c12 ZINC000004108171 817504022 /nfs/dbraw/zinc/50/40/22/817504022.db2.gz GPFOUGHFNHXYFX-UHFFFAOYSA-N 0 0 389.367 4.119 50 5 GIBARN CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004120104 817504525 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GIBARN CCCCn1c(=O)nc2n(-c3ccc(C)c(Cl)c3)c3ccccc3cc-2c1=O ZINC000002124411 203927640 /nfs/dbraw/zinc/92/76/40/203927640.db2.gz KBHSVIYXUDJETL-UHFFFAOYSA-N 0 0 393.874 4.414 50 5 GIBARN Cc1ccc(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000002868605 203970085 /nfs/dbraw/zinc/97/00/85/203970085.db2.gz FSDCAQXDNVFZCE-UHFFFAOYSA-N 0 0 375.380 4.491 50 5 GIBARN CCCSc1nnc2c(n1)O[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000002913035 203973949 /nfs/dbraw/zinc/97/39/49/203973949.db2.gz ZYMWJNSWORWDQX-KRWDZBQOSA-N 0 0 395.444 4.452 50 5 GIBARN O=C(NCc1cccnc1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003020156 203981135 /nfs/dbraw/zinc/98/11/35/203981135.db2.gz YILFCTFRLRTIFW-UHFFFAOYSA-N 0 0 383.404 4.210 50 5 GIBARN CC(=O)c1sc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)nc1C ZINC000003178094 203989467 /nfs/dbraw/zinc/98/94/67/203989467.db2.gz MYCXVMMULZXDDL-UHFFFAOYSA-N 0 0 378.409 4.166 50 5 GIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc([N+](=O)[O-])s1 ZINC000003453416 204007541 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QJVSULFKMHKCRO-LJQANCHMSA-N 0 0 392.415 4.185 50 5 GIBARN O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004815179 204078129 /nfs/dbraw/zinc/07/81/29/204078129.db2.gz ZEYPRHMRKGVYFH-UHFFFAOYSA-N 0 0 387.823 4.127 50 5 GIBARN C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000004842758 204081439 /nfs/dbraw/zinc/08/14/39/204081439.db2.gz SUBKCUQRSIWBIX-INIZCTEOSA-N 0 0 376.412 4.268 50 5 GIBARN Cc1cccc(C)c1OCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000004843064 204081967 /nfs/dbraw/zinc/08/19/67/204081967.db2.gz MGCCCBAVUHXMKU-UHFFFAOYSA-N 0 0 384.461 4.211 50 5 GIBARN O=C(Nc1ccccc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004868270 204084980 /nfs/dbraw/zinc/08/49/80/204084980.db2.gz OPIBJWJAPLJCLO-UHFFFAOYSA-N 0 0 390.237 4.210 50 5 GIBARN COc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC ZINC000004902938 204087933 /nfs/dbraw/zinc/08/79/33/204087933.db2.gz VIRBXGHFXNKIHS-UHFFFAOYSA-N 0 0 399.447 4.101 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2[N+](=O)[O-])n1-c1cccc(O)c1 ZINC000004438109 204045425 /nfs/dbraw/zinc/04/54/25/204045425.db2.gz BWVWHGCAQNBCLQ-OUKQBFOZSA-N 0 0 385.379 4.170 50 5 GIBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12 ZINC000004474194 204045611 /nfs/dbraw/zinc/04/56/11/204045611.db2.gz GUBQPEPXTZOSOV-UHFFFAOYSA-N 0 0 380.381 4.064 50 5 GIBARN Cc1oc(-c2ccccc2)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004498684 204049032 /nfs/dbraw/zinc/04/90/32/204049032.db2.gz VEDZADGLCVNVEI-UHFFFAOYSA-N 0 0 391.427 4.126 50 5 GIBARN CCCCOc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)c1 ZINC000004622102 204057966 /nfs/dbraw/zinc/05/79/66/204057966.db2.gz KJHBSPYENBDZQW-UHFFFAOYSA-N 0 0 387.461 4.209 50 5 GIBARN O=C(Nc1ccc(Br)c(Cl)c1)c1cc([N+](=O)[O-])cc2c[nH]nc21 ZINC000004686780 204064038 /nfs/dbraw/zinc/06/40/38/204064038.db2.gz WRUKEQKTGUUGKW-UHFFFAOYSA-N 0 0 395.600 4.139 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 ZINC000005072558 204110047 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O=C(NCc1ccccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000006867383 204216470 /nfs/dbraw/zinc/21/64/70/204216470.db2.gz OYIMHRLBLRRDSP-UHFFFAOYSA-N 0 0 383.791 4.366 50 5 GIBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000006868025 204217518 /nfs/dbraw/zinc/21/75/18/204217518.db2.gz YMQNGDCESYOEEM-UHFFFAOYSA-N 0 0 384.347 4.392 50 5 GIBARN O=C(NC[C@@H]1CCCO1)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000006601490 204186040 /nfs/dbraw/zinc/18/60/40/204186040.db2.gz GCZDMGSZLBDTAT-AWEZNQCLSA-N 0 0 392.864 4.308 50 5 GIBARN CCOC(=O)c1sc2cccc(F)c2c1COc1ccc(C)nc1[N+](=O)[O-] ZINC000006590868 204186718 /nfs/dbraw/zinc/18/67/18/204186718.db2.gz YTAFSCUPMAQLAC-UHFFFAOYSA-N 0 0 390.392 4.408 50 5 GIBARN O=C(COc1ccc2[nH]c3ccccc3c(=O)c2c1)NCc1ccc(Cl)cc1 ZINC000006909509 204222340 /nfs/dbraw/zinc/22/23/40/204222340.db2.gz YMASAHHIRHMJQS-UHFFFAOYSA-N 0 0 392.842 4.030 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1ccccc1Cl ZINC000007167537 204235482 /nfs/dbraw/zinc/23/54/82/204235482.db2.gz VUDTWEXCZHNDTF-UHFFFAOYSA-N 0 0 398.893 4.184 50 5 GIBARN C[C@@H]1CSC(N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)=N1 ZINC000007643358 204245523 /nfs/dbraw/zinc/24/55/23/204245523.db2.gz GNPBFHCDYXVDMB-LLVKDONJSA-N 0 0 375.837 4.386 50 5 GIBARN CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000007720605 204248051 /nfs/dbraw/zinc/24/80/51/204248051.db2.gz OYDFXXQPBXTPII-UHFFFAOYSA-N 0 0 380.404 4.086 50 5 GIBARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000008807706 204291769 /nfs/dbraw/zinc/29/17/69/204291769.db2.gz RMVIHGKUNBOZIQ-SNVBAGLBSA-N 0 0 390.852 4.254 50 5 GIBARN COCCN(C(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000008984091 204295936 /nfs/dbraw/zinc/29/59/36/204295936.db2.gz SHFDXFJMJUYMBU-UHFFFAOYSA-N 0 0 389.458 4.073 50 5 GIBARN Cc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)c1 ZINC000008097494 204261680 /nfs/dbraw/zinc/26/16/80/204261680.db2.gz UPNTVJVXDMTTMG-UHFFFAOYSA-N 0 0 381.476 4.087 50 5 GIBARN Cc1ccc(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000008506303 204278346 /nfs/dbraw/zinc/27/83/46/204278346.db2.gz BCYRXWPMAXPEJV-HXUWFJFHSA-N 0 0 382.441 4.249 50 5 GIBARN COc1ccccc1Nc1nc(Nc2cccc(Cl)c2)nc(N)c1[N+](=O)[O-] ZINC000009349601 204308500 /nfs/dbraw/zinc/30/85/00/204308500.db2.gz WHZAMZYAXVOPLJ-UHFFFAOYSA-N 0 0 386.799 4.116 50 5 GIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc(-c2nc3ccccc3o2)c1O ZINC000009577413 204316574 /nfs/dbraw/zinc/31/65/74/204316574.db2.gz RIAFRIDDKZMVRC-UHFFFAOYSA-N 0 0 379.328 4.262 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCOc1ccc(Cl)cc1 ZINC000036396668 204319796 /nfs/dbraw/zinc/31/97/96/204319796.db2.gz PQDGKAVYCJFDMN-CYBMUJFWSA-N 0 0 377.828 4.030 50 5 GIBARN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000010320053 204334068 /nfs/dbraw/zinc/33/40/68/204334068.db2.gz NTAWXSCHLZOMTI-SECBINFHSA-N 0 0 394.765 4.484 50 5 GIBARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015866751 204583180 /nfs/dbraw/zinc/58/31/80/204583180.db2.gz YQCRSRHDYZSUAD-HNNXBMFYSA-N 0 0 380.491 4.271 50 5 GIBARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000017077542 204604667 /nfs/dbraw/zinc/60/46/67/204604667.db2.gz FHYKXIPHXMWCRX-UHFFFAOYSA-N 0 0 379.420 4.409 50 5 GIBARN CCCNc1c2ccccc2oc(=O)c1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020178625 204704875 /nfs/dbraw/zinc/70/48/75/204704875.db2.gz QCFPBNCTLBKVOG-UHFFFAOYSA-N 0 0 381.388 4.084 50 5 GIBARN Cc1cccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1 ZINC000020177503 204705010 /nfs/dbraw/zinc/70/50/10/204705010.db2.gz DETAKLCFAKCAIT-UHFFFAOYSA-N 0 0 380.448 4.277 50 5 GIBARN CC(=O)N1N=C(c2cc([N+](=O)[O-])ccc2Cl)O[C@@H]1c1cccc(Cl)c1 ZINC000021091882 204752157 /nfs/dbraw/zinc/75/21/57/204752157.db2.gz IODZCHWMNCBZJS-MRXNPFEDSA-N 0 0 380.187 4.141 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000025558339 204835285 /nfs/dbraw/zinc/83/52/85/204835285.db2.gz JWXUQRHGKNCBNX-OFNKIYASSA-N 0 0 399.406 4.347 50 5 GIBARN CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(nc3sccn23)s1 ZINC000031387188 204902243 /nfs/dbraw/zinc/90/22/43/204902243.db2.gz XMXYEKNULOHYHW-UHFFFAOYSA-N 0 0 386.458 4.181 50 5 GIBARN CCC(=O)N(c1ccc(OC)cc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675637 204971338 /nfs/dbraw/zinc/97/13/38/204971338.db2.gz HEDJDIWHDFXYLJ-UHFFFAOYSA-N 0 0 397.475 4.011 50 5 GIBARN C[C@@H](NC(=O)c1csc(COc2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000036084616 205003860 /nfs/dbraw/zinc/00/38/60/205003860.db2.gz RIMFHGLYXXTUKC-CYBMUJFWSA-N 0 0 383.429 4.121 50 5 GIBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347795 205013325 /nfs/dbraw/zinc/01/33/25/205013325.db2.gz SCJUYTUFYIAEBC-OAQYLSRUSA-N 0 0 392.415 4.300 50 5 GIBARN O=C(N[C@H](c1cccs1)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000036395044 205015770 /nfs/dbraw/zinc/01/57/70/205015770.db2.gz CMDBMYJOARIGBR-KRWDZBQOSA-N 0 0 378.413 4.052 50 5 GIBARN COCCNc1nc2c3sc4nc(C(F)F)cc(C)c4c3[nH]c(=O)c2s1 ZINC000036612848 205017150 /nfs/dbraw/zinc/01/71/50/205017150.db2.gz TYPWFOKDMKWJLV-UHFFFAOYSA-N 0 0 396.444 4.052 50 5 GIBARN O=C(Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1)NCc1ccccc1 ZINC000037554683 205028307 /nfs/dbraw/zinc/02/83/07/205028307.db2.gz JODOYIRINOYGTR-UHFFFAOYSA-N 0 0 375.428 4.066 50 5 GIBARN CCOc1ccccc1-c1nnc(SCCOc2cccc([N+](=O)[O-])c2)o1 ZINC000040127655 205055589 /nfs/dbraw/zinc/05/55/89/205055589.db2.gz JEZUZVVSNQYUMV-UHFFFAOYSA-N 0 0 387.417 4.215 50 5 GIBARN O=C(Nc1nnc(SCc2ccccc2)s1)c1csc([N+](=O)[O-])c1 ZINC000040140436 205057402 /nfs/dbraw/zinc/05/74/02/205057402.db2.gz CQWKDWIQRGCHNI-UHFFFAOYSA-N 0 0 378.460 4.052 50 5 GIBARN O=C1OCCN1Cc1ccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000040153857 205060311 /nfs/dbraw/zinc/06/03/11/205060311.db2.gz IKLLQENYTDRHEP-UHFFFAOYSA-N 0 0 381.310 4.309 50 5 GIBARN C[C@@H](Nc1ccc(C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052978933 205135215 /nfs/dbraw/zinc/13/52/15/205135215.db2.gz PYHJVBAJRQTANX-OAHLLOKOSA-N 0 0 376.416 4.440 50 5 GIBARN Cc1cc(NC[C@H](O)c2ccc(Cl)cc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000059385204 205178204 /nfs/dbraw/zinc/17/82/04/205178204.db2.gz LUTGVQXJNQWTLN-KRWDZBQOSA-N 0 0 384.823 4.159 50 5 GIBARN O=[N+]([O-])c1cccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccc(F)c2)c1 ZINC000064984035 205204368 /nfs/dbraw/zinc/20/43/68/205204368.db2.gz HEVDWGDEYXURMM-GOSISDBHSA-N 0 0 378.425 4.040 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000065585796 205237779 /nfs/dbraw/zinc/23/77/79/205237779.db2.gz ZRWONHGGHLKFSX-YGRLFVJLSA-N 0 0 393.852 4.022 50 5 GIBARN Cc1ccc(OCCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1C ZINC000065590761 205238552 /nfs/dbraw/zinc/23/85/52/205238552.db2.gz FQMHNIASIUPPEJ-UHFFFAOYSA-N 0 0 376.840 4.293 50 5 GIBARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000071872633 205299694 /nfs/dbraw/zinc/29/96/94/205299694.db2.gz OSYSYIOTFBWHTP-UHFFFAOYSA-N 0 0 396.468 4.440 50 5 GIBARN CC[C@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277255 205553940 /nfs/dbraw/zinc/55/39/40/205553940.db2.gz PBLHRQJQAMRNJG-KBXCAEBGSA-N 0 0 394.431 4.470 50 5 GIBARN CC[C@@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277034 205554497 /nfs/dbraw/zinc/55/44/97/205554497.db2.gz XHLRQLCCGXLHAM-IAQYHMDHSA-N 0 0 386.433 4.224 50 5 GIBARN COc1ccc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)cc1 ZINC000101149938 205617115 /nfs/dbraw/zinc/61/71/15/205617115.db2.gz WWINRHQIWQHTBV-UHFFFAOYSA-N 0 0 386.411 4.069 50 5 GIBARN Cc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 ZINC000004273153 205742922 /nfs/dbraw/zinc/74/29/22/205742922.db2.gz YMCDYCHTKMNOAB-UHFFFAOYSA-N 0 0 394.412 4.348 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])c(F)c1)N[C@H](c1cccs1)C1CCCC1 ZINC000058159367 205962567 /nfs/dbraw/zinc/96/25/67/205962567.db2.gz KUZRGTJKNYXGQC-SFHVURJKSA-N 0 0 378.425 4.222 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCCC2)cc1 ZINC000031303116 206087482 /nfs/dbraw/zinc/08/74/82/206087482.db2.gz NAZQHFCDCWNGDW-UHFFFAOYSA-N 0 0 397.478 4.394 50 5 GIBARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1cccc(O)c1 ZINC000033414191 206098670 /nfs/dbraw/zinc/09/86/70/206098670.db2.gz MDKFYECLIONYML-RAXLEYEMSA-N 0 0 385.379 4.170 50 5 GIBARN C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1Cl ZINC000032777365 206093549 /nfs/dbraw/zinc/09/35/49/206093549.db2.gz XULLERIPBYSACG-JTQLQIEISA-N 0 0 391.836 4.359 50 5 GIBARN COc1ccc(CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000032753987 206093906 /nfs/dbraw/zinc/09/39/06/206093906.db2.gz ZWRDHLSCFDNIKX-WDBUWWRISA-N 0 0 380.444 4.444 50 5 GIBARN O=C(c1cccc([N+](=O)[O-])c1Br)N(Cc1ccccc1)C1CC1 ZINC000097236757 206124410 /nfs/dbraw/zinc/12/44/10/206124410.db2.gz QTGCJGOBIXDFQF-UHFFFAOYSA-N 0 0 375.222 4.162 50 5 GIBARN C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008782998 206224480 /nfs/dbraw/zinc/22/44/80/206224480.db2.gz CKSXMNYRZXOVPC-INIZCTEOSA-N 0 0 395.459 4.294 50 5 GIBARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000005137108 220834215 /nfs/dbraw/zinc/83/42/15/220834215.db2.gz SBNUUGZFXRQOSJ-UHFFFAOYSA-N 0 0 385.420 4.138 50 5 GIBARN Cc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000015545169 221337877 /nfs/dbraw/zinc/33/78/77/221337877.db2.gz QYCUIJPXFSBABK-MRXNPFEDSA-N 0 0 396.472 4.289 50 5 GIBARN CCOC(=O)c1ccnc(N2CC[C@H](C)C[C@H]2c2ccc(CC)o2)c1[N+](=O)[O-] ZINC000089286670 136175485 /nfs/dbraw/zinc/17/54/85/136175485.db2.gz JKPMMQUZBUDIOZ-BBRMVZONSA-N 0 0 387.436 4.300 50 5 GIBARN O=C1N[C@H]2[C@H](Cc3cccc([N+](=O)[O-])c3)c3ccccc3CN2c2ccccc21 ZINC000004338634 136193952 /nfs/dbraw/zinc/19/39/52/136193952.db2.gz OHYRYMBSWUTISU-IFMALSPDSA-N 0 0 385.423 4.011 50 5 GIBARN CC[C@@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004895678 136194175 /nfs/dbraw/zinc/19/41/75/136194175.db2.gz MUNIXKNBCUYQHB-OAHLLOKOSA-N 0 0 383.448 4.197 50 5 GIBARN CCN(CC)C(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c(C)s2)cc1Cl ZINC000027396888 520554850 /nfs/dbraw/zinc/55/48/50/520554850.db2.gz FHQVHTPVMPWUIW-UHFFFAOYSA-N 0 0 395.868 4.352 50 5 GIBARN C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006062224 570232331 /nfs/dbraw/zinc/23/23/31/570232331.db2.gz NLTUBMKEWCNVJW-JSFDKUKPSA-N 0 0 392.883 4.348 50 5 GIBARN CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C ZINC000044086851 570235273 /nfs/dbraw/zinc/23/52/73/570235273.db2.gz CBKDHOGDFSAVSA-UHFFFAOYSA-N 0 0 397.456 4.411 50 5 GIBARN O=C(CSc1ncccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F ZINC000048325658 570236594 /nfs/dbraw/zinc/23/65/94/570236594.db2.gz UCENKLNNWZVECC-UHFFFAOYSA-N 0 0 391.758 4.393 50 5 GIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002377177 570284935 /nfs/dbraw/zinc/28/49/35/570284935.db2.gz HNRMULTUQCTSKF-ZDUSSCGKSA-N 0 0 387.418 4.394 50 5 GIBARN Cc1nn(CC(=O)Nc2ccccc2Sc2ccccc2)c(C)c1[N+](=O)[O-] ZINC000000679881 570288295 /nfs/dbraw/zinc/28/82/95/570288295.db2.gz ORVNTEDYDWAMOX-UHFFFAOYSA-N 0 0 382.445 4.198 50 5 GIBARN Cc1ccc([C@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 ZINC000012918626 570293517 /nfs/dbraw/zinc/29/35/17/570293517.db2.gz WUUWHFZAEKJZFS-FQEVSTJZSA-N 0 0 382.441 4.249 50 5 GIBARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000024845907 570313567 /nfs/dbraw/zinc/31/35/67/570313567.db2.gz ZKNZCDRRVQYOBU-UHFFFAOYSA-N 0 0 385.203 4.236 50 5 GIBARN O=c1oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2c2ccccc12 ZINC000002989972 570323633 /nfs/dbraw/zinc/32/36/33/570323633.db2.gz NYTGZUIPCHEHIV-UHFFFAOYSA-N 0 0 386.812 4.367 50 5 GIBARN COc1ccc2oc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])o4)n3)cc2c1 ZINC000010882638 570346093 /nfs/dbraw/zinc/34/60/93/570346093.db2.gz HMIXJFHIXHFVHG-UHFFFAOYSA-N 0 0 385.357 4.318 50 5 GIBARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cccc([N+](=O)[O-])c1 ZINC000012979194 570385828 /nfs/dbraw/zinc/38/58/28/570385828.db2.gz JNGIHKAGOUJDKA-UHFFFAOYSA-N 0 0 391.431 4.222 50 5 GIBARN Cc1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000005063316 570408975 /nfs/dbraw/zinc/40/89/75/570408975.db2.gz VPZNOORASAFODW-UHFFFAOYSA-N 0 0 387.505 4.323 50 5 GIBARN CCN(C(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005063888 570409101 /nfs/dbraw/zinc/40/91/01/570409101.db2.gz HROHMXCNOVVWCH-UHFFFAOYSA-N 0 0 376.416 4.269 50 5 GIBARN CCCOc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000001910439 570446529 /nfs/dbraw/zinc/44/65/29/570446529.db2.gz OLDOOYHOJMMBSY-UXBLZVDNSA-N 0 0 386.404 4.053 50 5 GIBARN CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000005162356 570462794 /nfs/dbraw/zinc/46/27/94/570462794.db2.gz GQXAZZXTBTXCGY-ZUURVNMSSA-N 0 0 397.862 4.275 50 5 GIBARN COc1ccc(C(=O)Oc2ccc(C3SCCS3)cc2)cc1[N+](=O)[O-] ZINC000006590359 570487494 /nfs/dbraw/zinc/48/74/94/570487494.db2.gz ZKBFTWAROSHNHE-UHFFFAOYSA-N 0 0 377.443 4.301 50 5 GIBARN O=C(Nc1ccc(Br)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006615311 570505035 /nfs/dbraw/zinc/50/50/35/570505035.db2.gz ZEYDTYDCGBGHMA-UHFFFAOYSA-N 0 0 390.237 4.210 50 5 GIBARN O=C(c1cc2ccccc2c2cccnc12)N1CCCN(c2nccs2)CC1 ZINC000064751436 570532282 /nfs/dbraw/zinc/53/22/82/570532282.db2.gz DDSRTEOUAJNKET-UHFFFAOYSA-N 0 0 388.496 4.197 50 5 GIBARN Cc1cc2occ(CC(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2cc1C(C)C ZINC000032999806 570616881 /nfs/dbraw/zinc/61/68/81/570616881.db2.gz AQKMODGYIDWBDO-HXUWFJFHSA-N 0 0 396.443 4.165 50 5 GIBARN CC(C)(C)c1ccc(-c2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=N)s2)cc1 ZINC000013896083 570704473 /nfs/dbraw/zinc/70/44/73/570704473.db2.gz XAPUKHNUGQSDEQ-UHFFFAOYSA-N 0 0 396.472 4.180 50 5 GIBARN COc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000004368227 570716713 /nfs/dbraw/zinc/71/67/13/570716713.db2.gz RLKFCWXTMAXTNW-LBPRGKRZSA-N 0 0 378.812 4.280 50 5 GIBARN COc1ccc(CCNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 ZINC000001005667 570744608 /nfs/dbraw/zinc/74/46/08/570744608.db2.gz UMUDAURGIWJRNF-UHFFFAOYSA-N 0 0 390.848 4.444 50 5 GIBARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001002193 570745370 /nfs/dbraw/zinc/74/53/70/570745370.db2.gz KGEUFHCMMOTZMI-UHFFFAOYSA-N 0 0 391.214 4.399 50 5 GIBARN Cc1nn(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)c1Br ZINC000001038076 570747599 /nfs/dbraw/zinc/74/75/99/570747599.db2.gz BDLSZVUMZCCCHF-UHFFFAOYSA-N 0 0 393.266 4.342 50 5 GIBARN Cn1c(=O)c2c3c(sc2nc1SCc1ccc([N+](=O)[O-])cc1)CCCC3 ZINC000001033730 570747825 /nfs/dbraw/zinc/74/78/25/570747825.db2.gz GMEBJOWRLQXSSG-UHFFFAOYSA-N 0 0 387.486 4.074 50 5 GIBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc2ccccc2oc1=O ZINC000001057033 570748403 /nfs/dbraw/zinc/74/84/03/570748403.db2.gz KTLTZGODNQXBNU-UHFFFAOYSA-N 0 0 393.380 4.077 50 5 GIBARN O=[N+]([O-])c1ccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1 ZINC000001124916 570754729 /nfs/dbraw/zinc/75/47/29/570754729.db2.gz LHENMGBPKLRGOL-UHFFFAOYSA-N 0 0 383.425 4.148 50 5 GIBARN COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001144595 570754945 /nfs/dbraw/zinc/75/49/45/570754945.db2.gz AWAISTREHCXIAO-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ncccc3o2)c1 ZINC000001166518 570759725 /nfs/dbraw/zinc/75/97/25/570759725.db2.gz AYSWQFBQPKYTEQ-MDZDMXLPSA-N 0 0 386.367 4.450 50 5 GIBARN CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000032719719 570764334 /nfs/dbraw/zinc/76/43/34/570764334.db2.gz OUTUHABCCWWCOB-UHFFFAOYSA-N 0 0 378.425 4.127 50 5 GIBARN Cc1c(C(=O)NC(=S)Nc2cccc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000001181530 570790988 /nfs/dbraw/zinc/79/09/88/570790988.db2.gz RSGCLWRFIBGEED-UHFFFAOYSA-N 0 0 383.351 4.049 50 5 GIBARN COC(=O)c1cccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001207467 570793434 /nfs/dbraw/zinc/79/34/34/570793434.db2.gz NMRFJPCEOWQHHS-UHFFFAOYSA-N 0 0 392.367 4.426 50 5 GIBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000002750320 570804863 /nfs/dbraw/zinc/80/48/63/570804863.db2.gz AJMSTJBSRYWFKU-UHFFFAOYSA-N 0 0 398.596 4.050 50 5 GIBARN Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2cccc([N+](=O)[O-])c2)o1 ZINC000034914877 570809083 /nfs/dbraw/zinc/80/90/83/570809083.db2.gz QUFNHXXFSBPHMN-UHFFFAOYSA-N 0 0 376.372 4.372 50 5 GIBARN O=C([C@H](Oc1ccc2[nH]c3ccccc3c(=O)c2c1)c1ccccc1)N1CCCC1 ZINC000012522157 570828765 /nfs/dbraw/zinc/82/87/65/570828765.db2.gz SNJRNPRVAVLWTG-XMMPIXPASA-N 0 0 398.462 4.424 50 5 GIBARN O=C1CCCC(=O)N1c1ccc(N[C@@H]2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004684489 570830362 /nfs/dbraw/zinc/83/03/62/570830362.db2.gz MGNDATOYJNKARF-QGZVFWFLSA-N 0 0 379.416 4.128 50 5 GIBARN O=C(COc1cccc([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007489422 570850972 /nfs/dbraw/zinc/85/09/72/570850972.db2.gz GTHJFGGYYYJKPX-IBGZPJMESA-N 0 0 386.404 4.080 50 5 GIBARN CCOc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000024454937 570863217 /nfs/dbraw/zinc/86/32/17/570863217.db2.gz CKKNNHLUWWRAQC-LBPRGKRZSA-N 0 0 392.839 4.489 50 5 GIBARN O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000170607500 570864580 /nfs/dbraw/zinc/86/45/80/570864580.db2.gz DOCLTZDTDHGEKL-YOEHRIQHSA-N 0 0 384.329 4.061 50 5 GIBARN O=[N+]([O-])c1ccc(CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1F ZINC000170607501 570864594 /nfs/dbraw/zinc/86/45/94/570864594.db2.gz DOCLTZDTDHGEKL-WMLDXEAASA-N 0 0 384.329 4.061 50 5 GIBARN COc1ccccc1/C=C/C=C1\N=C(c2ccc(Cl)c([N+](=O)[O-])c2)OC1=O ZINC000015262562 570878726 /nfs/dbraw/zinc/87/87/26/570878726.db2.gz BGOWVTJMEHFRJU-QPTIXVFQSA-N 0 0 384.775 4.158 50 5 GIBARN Cc1cccc(C)c1NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024559684 570892696 /nfs/dbraw/zinc/89/26/96/570892696.db2.gz MERUTOYVUDCKES-QUCCMNQESA-N 0 0 379.460 4.382 50 5 GIBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Br)cc1 ZINC000002475108 570903146 /nfs/dbraw/zinc/90/31/46/570903146.db2.gz ZVJGTLDCCQKSFO-HNNXBMFYSA-N 0 0 379.235 4.136 50 5 GIBARN O=C(c1sccc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000015757164 570903468 /nfs/dbraw/zinc/90/34/68/570903468.db2.gz AZLMJLKGCOKPOP-UHFFFAOYSA-N 0 0 393.468 4.286 50 5 GIBARN COc1ccc(OC)c2[nH]c(Sc3ccc([N+](=O)[O-])c4cccnc34)nc21 ZINC000104766363 570905081 /nfs/dbraw/zinc/90/50/81/570905081.db2.gz ZFKPCAOINYZZAU-UHFFFAOYSA-N 0 0 382.401 4.188 50 5 GIBARN CNc1snc(C)c1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000016974386 570920922 /nfs/dbraw/zinc/92/09/22/570920922.db2.gz NNAJXZBQXWTRSG-UHFFFAOYSA-N 0 0 380.425 4.110 50 5 GIBARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000017078427 570927031 /nfs/dbraw/zinc/92/70/31/570927031.db2.gz IYEFMNDCHKNNMB-UHFFFAOYSA-N 0 0 384.417 4.195 50 5 GIBARN CCN1C(=O)c2cccc3c2c1ccc3NC(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000004079249 570930776 /nfs/dbraw/zinc/93/07/76/570930776.db2.gz SOPGANFNLMSDCJ-UXBLZVDNSA-N 0 0 393.424 4.442 50 5 GIBARN CCOC(=O)N1CCc2nc3ccc([N+](=O)[O-])cc3c(-c3ccccc3)c2C1 ZINC000015454012 570959185 /nfs/dbraw/zinc/95/91/85/570959185.db2.gz BCOBXCUMMOPDCW-UHFFFAOYSA-N 0 0 377.400 4.325 50 5 GIBARN Cc1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1[N+](=O)[O-] ZINC000007781089 571038578 /nfs/dbraw/zinc/03/85/78/571038578.db2.gz UAQQUPFNGZQTNZ-LJQANCHMSA-N 0 0 384.432 4.192 50 5 GIBARN COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000001225274 817375512 /nfs/dbraw/zinc/37/55/12/817375512.db2.gz UXLZBDSSLOPHET-UHFFFAOYSA-N 0 0 393.443 4.186 50 5 GIBARN Cc1nc(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc(C)c1C ZINC000002621476 817392708 /nfs/dbraw/zinc/39/27/08/817392708.db2.gz FJWVTAFEYDJUMV-LLVKDONJSA-N 0 0 380.857 4.083 50 5 GIBARN CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nnc1-c1ccccc1 ZINC000002663262 817397592 /nfs/dbraw/zinc/39/75/92/817397592.db2.gz MTDREBOTYPGMFM-UHFFFAOYSA-N 0 0 398.444 4.032 50 5 GIBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000002699358 817398217 /nfs/dbraw/zinc/39/82/17/817398217.db2.gz VFENHBRCQSVETE-UHFFFAOYSA-N 0 0 384.373 4.187 50 5 GIBARN Cc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000002723724 817398476 /nfs/dbraw/zinc/39/84/76/817398476.db2.gz RKVUZMYGUHBZOX-UHFFFAOYSA-N 0 0 382.445 4.128 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000002850380 817403508 /nfs/dbraw/zinc/40/35/08/817403508.db2.gz LKZRHHOMBIFLKS-LLVKDONJSA-N 0 0 379.210 4.072 50 5 GIBARN CCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000002912490 817404808 /nfs/dbraw/zinc/40/48/08/817404808.db2.gz VZRSDHVPWNNCTF-QGZVFWFLSA-N 0 0 395.444 4.452 50 5 GIBARN O=C(CSCc1ccc(Br)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000002891143 817404959 /nfs/dbraw/zinc/40/49/59/817404959.db2.gz QYZUDZIEVCWOKO-UHFFFAOYSA-N 0 0 381.251 4.229 50 5 GIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1Br ZINC000003173603 817419919 /nfs/dbraw/zinc/41/99/19/817419919.db2.gz UTLXPHAWMOXSHO-UHFFFAOYSA-N 0 0 378.207 4.219 50 5 GIBARN O=C1N(c2ccccc2)C(=O)N(c2ccccc2)[C@]2(C[N+](=O)[O-])CCCCCN12 ZINC000003263760 817429440 /nfs/dbraw/zinc/42/94/40/817429440.db2.gz NWQUFUYOAUGLKC-NRFANRHFSA-N 0 0 394.431 4.102 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CSC3)c(C)c1 ZINC000004175982 817507961 /nfs/dbraw/zinc/50/79/61/817507961.db2.gz PXZCEMULGZROHN-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN Cc1c(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cccc1[N+](=O)[O-] ZINC000012651289 818174700 /nfs/dbraw/zinc/17/47/00/818174700.db2.gz YNDXFMDEOWAQNC-UHFFFAOYSA-N 0 0 391.362 4.029 50 5 GIBARN CSc1ccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1 ZINC000019720699 818603343 /nfs/dbraw/zinc/60/33/43/818603343.db2.gz YTWMHBCNRIMYTN-UHFFFAOYSA-N 0 0 394.500 4.500 50 5 GIBARN CC(=O)N1N=C(CNc2cccc3ccccc32)O[C@H]1c1ccc([N+](=O)[O-])s1 ZINC000021090949 818652339 /nfs/dbraw/zinc/65/23/39/818652339.db2.gz YWWLDZJTPONEGL-IBGZPJMESA-N 0 0 396.428 4.112 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1Nc1c2[nH]cccc-2c(=O)n1Cc1cccs1 ZINC000021106047 818654334 /nfs/dbraw/zinc/65/43/34/818654334.db2.gz OQEWMNBKLVBXNC-GOSISDBHSA-N 0 0 380.429 4.126 50 5 GIBARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000021107870 818654347 /nfs/dbraw/zinc/65/43/47/818654347.db2.gz BHJYEZIUWBHKIQ-LJQANCHMSA-N 0 0 378.363 4.208 50 5 GIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000029747625 820510573 /nfs/dbraw/zinc/51/05/73/820510573.db2.gz ICWGHVHLUPQWTB-UHFFFAOYSA-N 0 0 378.347 4.172 50 5 GIBARN O=[N+]([O-])c1ccc(CS(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 ZINC000030835961 820688762 /nfs/dbraw/zinc/68/87/62/820688762.db2.gz XTLZGAYZVWOHKQ-UHFFFAOYSA-N 0 0 382.397 4.436 50 5 GIBARN COC(=O)c1cc(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cc([N+](=O)[O-])c1 ZINC000040081627 821132750 /nfs/dbraw/zinc/13/27/50/821132750.db2.gz NOPDEPLQEBFFDO-UHFFFAOYSA-N 0 0 397.387 4.072 50 5 GIBARN Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000042918203 821344298 /nfs/dbraw/zinc/34/42/98/821344298.db2.gz JTXVVNHNIRPXIY-UHFFFAOYSA-N 0 0 391.305 4.444 50 5 GIBARN O=[N+]([O-])c1cc(-c2nc3cc4nc5ccccc5[n+]([O-])c4cc3[nH]2)ccc1Cl ZINC000048524492 822669685 /nfs/dbraw/zinc/66/96/85/822669685.db2.gz BBSNTPZTIWMOKW-UHFFFAOYSA-N 0 0 391.774 4.126 50 5 GIBARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000857109 203860115 /nfs/dbraw/zinc/86/01/15/203860115.db2.gz JOLXKDSEOSEWQV-SFHVURJKSA-N 0 0 390.395 4.006 50 5 GIBARN COc1ccc(Oc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2)cc1 ZINC000001124674 203887207 /nfs/dbraw/zinc/88/72/07/203887207.db2.gz HSJXFXPNPWNWDB-UHFFFAOYSA-N 0 0 390.351 4.196 50 5 GIBARN COc1ccc(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1OC ZINC000001158313 203891259 /nfs/dbraw/zinc/89/12/59/203891259.db2.gz HZDQRYQDUDCELF-UHFFFAOYSA-N 0 0 385.445 4.390 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccnc3)nc2c1 ZINC000001839527 203921568 /nfs/dbraw/zinc/92/15/68/203921568.db2.gz OIEROXGYNRTNRZ-RMKNXTFCSA-N 0 0 386.367 4.450 50 5 GIBARN O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000002468364 203946143 /nfs/dbraw/zinc/94/61/43/203946143.db2.gz MYKWJHQJWYGWLV-UHFFFAOYSA-N 0 0 388.836 4.165 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1cccc([N+](=O)[O-])c1 ZINC000004311128 204038100 /nfs/dbraw/zinc/03/81/00/204038100.db2.gz BJBLPDFWFRELOZ-OUKQBFOZSA-N 0 0 385.379 4.170 50 5 GIBARN CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004371276 204041564 /nfs/dbraw/zinc/04/15/64/204041564.db2.gz VGJYXBJMJKTRGX-IZLCOFNUSA-N 0 0 379.416 4.213 50 5 GIBARN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000003394961 204004400 /nfs/dbraw/zinc/00/44/00/204004400.db2.gz JEWPSBZQBMZELD-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN C[C@@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003510311 204011273 /nfs/dbraw/zinc/01/12/73/204011273.db2.gz PWAFWLYGFSNYHY-SECBINFHSA-N 0 0 399.628 4.417 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)ccc1Cl ZINC000003885939 204021561 /nfs/dbraw/zinc/02/15/61/204021561.db2.gz JHMHFLVLCBYZLM-UHFFFAOYSA-N 0 0 394.808 4.364 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CNc1ccc2c(c1)oc1ccccc12 ZINC000004016364 204023398 /nfs/dbraw/zinc/02/33/98/204023398.db2.gz DGTRBGFPLVPZFS-UHFFFAOYSA-N 0 0 387.351 4.160 50 5 GIBARN Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000004071427 204027017 /nfs/dbraw/zinc/02/70/17/204027017.db2.gz ZJVYZHVTAQAKNZ-LLVKDONJSA-N 0 0 379.210 4.072 50 5 GIBARN CC(=O)Oc1cc2oc3cc(C)ccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000004255714 204035680 /nfs/dbraw/zinc/03/56/80/204035680.db2.gz FAXSCMJBLLBCKY-UHFFFAOYSA-N 0 0 385.375 4.175 50 5 GIBARN Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004825918 204079184 /nfs/dbraw/zinc/07/91/84/204079184.db2.gz TYAHETCQKZPLFP-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004843809 204081699 /nfs/dbraw/zinc/08/16/99/204081699.db2.gz WHEKPQPXHPUMRG-NTEUORMPSA-N 0 0 385.379 4.170 50 5 GIBARN CC(C)OC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000004919248 204092301 /nfs/dbraw/zinc/09/23/01/204092301.db2.gz VJCQKGULAJVXCE-UHFFFAOYSA-N 0 0 398.260 4.452 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1c(Cl)cccc1Cl ZINC000004873695 204084534 /nfs/dbraw/zinc/08/45/34/204084534.db2.gz UUBOAYVKVYTJMS-UHFFFAOYSA-N 0 0 391.642 4.479 50 5 GIBARN COc1cccc2c1O[C@@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccco3)C[C@H]21 ZINC000004424281 204044999 /nfs/dbraw/zinc/04/49/99/204044999.db2.gz UQBKHUFJFIBJTF-UTKZUKDTSA-N 0 0 391.383 4.439 50 5 GIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000004540051 204051308 /nfs/dbraw/zinc/05/13/08/204051308.db2.gz KXGRZYNSSMOFTO-FQEVSTJZSA-N 0 0 388.379 4.301 50 5 GIBARN O=C(c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000004660529 204061305 /nfs/dbraw/zinc/06/13/05/204061305.db2.gz WHAYDHHRKMPOLP-UHFFFAOYSA-N 0 0 385.423 4.492 50 5 GIBARN Cc1c2ccccc2oc1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000005092425 204110408 /nfs/dbraw/zinc/11/04/08/204110408.db2.gz VSUQVVLFVLNQGZ-UHFFFAOYSA-N 0 0 399.834 4.265 50 5 GIBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCSc1ccc(Cl)cc1 ZINC000005123776 204112789 /nfs/dbraw/zinc/11/27/89/204112789.db2.gz NZJRLCUXDKINOU-UHFFFAOYSA-N 0 0 396.921 4.390 50 5 GIBARN Cc1nc2c3ccccc3oc2c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1 ZINC000005180377 204117565 /nfs/dbraw/zinc/11/75/65/204117565.db2.gz VFQXKVUMFAYAEA-UHFFFAOYSA-N 0 0 394.412 4.323 50 5 GIBARN Cc1nc2c3ccccc3oc2c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000005252906 204121805 /nfs/dbraw/zinc/12/18/05/204121805.db2.gz VOGPAXQLBPDKSK-UHFFFAOYSA-N 0 0 394.412 4.323 50 5 GIBARN CSc1cccc2c(C)cc(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc12 ZINC000004981933 204099263 /nfs/dbraw/zinc/09/92/63/204099263.db2.gz UVRHGCOHWSZULH-UHFFFAOYSA-N 0 0 394.500 4.500 50 5 GIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983506 204100116 /nfs/dbraw/zinc/10/01/16/204100116.db2.gz KBZWMRAYNKRORZ-UHFFFAOYSA-N 0 0 379.338 4.466 50 5 GIBARN C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005018434 204103709 /nfs/dbraw/zinc/10/37/09/204103709.db2.gz AFUCQFGEVULJPJ-SNVBAGLBSA-N 0 0 394.836 4.139 50 5 GIBARN O=C(Nc1nc2ccccc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027992 204104587 /nfs/dbraw/zinc/10/45/87/204104587.db2.gz CBNOIGRBFUWGEN-UHFFFAOYSA-N 0 0 382.445 4.447 50 5 aggregator GIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(C)cc1Br ZINC000005041849 204105618 /nfs/dbraw/zinc/10/56/18/204105618.db2.gz IKEAPAIBTAVEIS-UHFFFAOYSA-N 0 0 396.266 4.483 50 5 GIBARN Cc1ccc2nc(-c3ccccn3)cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c2c1 ZINC000005048315 204107107 /nfs/dbraw/zinc/10/71/07/204107107.db2.gz QRMFNSAQUCSKCC-UHFFFAOYSA-N 0 0 385.383 4.161 50 5 GIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)COc1ccc(Cl)cc1Br ZINC000005048252 204107637 /nfs/dbraw/zinc/10/76/37/204107637.db2.gz RCYBAYUVIXTLSN-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN COc1ccc2nc3c(c(NC(=O)c4cccc([N+](=O)[O-])c4)c2c1)CCCC3 ZINC000005930550 204156987 /nfs/dbraw/zinc/15/69/87/204156987.db2.gz ULHNQGJIYSLVNX-UHFFFAOYSA-N 0 0 377.400 4.283 50 5 GIBARN Cc1ccc(SCC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c(C)c1 ZINC000005418108 204130688 /nfs/dbraw/zinc/13/06/88/204130688.db2.gz VPPZTQVKPCVFLH-UHFFFAOYSA-N 0 0 399.428 4.097 50 5 GIBARN O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006344530 204174604 /nfs/dbraw/zinc/17/46/04/204174604.db2.gz FLERNYKWDMVNCD-UHFFFAOYSA-N 0 0 392.367 4.183 50 5 GIBARN O=[N+]([O-])c1cc(CSc2nnc(C3CCCCC3)o2)c2c(c1)COCO2 ZINC000006374003 204176325 /nfs/dbraw/zinc/17/63/25/204176325.db2.gz ASAFWPPHFMEQIO-UHFFFAOYSA-N 0 0 377.422 4.184 50 5 GIBARN O=C(NC[C@H]1CCCO1)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000006601491 204186644 /nfs/dbraw/zinc/18/66/44/204186644.db2.gz GCZDMGSZLBDTAT-CQSZACIVSA-N 0 0 392.864 4.308 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(Cl)c2Cl)ccc1Cl ZINC000006647310 204187486 /nfs/dbraw/zinc/18/74/86/204187486.db2.gz WLPCLXSEQSERNW-UHFFFAOYSA-N 0 0 382.608 4.323 50 5 GIBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(F)cc1F ZINC000006720327 204194876 /nfs/dbraw/zinc/19/48/76/204194876.db2.gz RCJHBDFIECTKHL-UHFFFAOYSA-N 0 0 378.378 4.380 50 5 GIBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 ZINC000007889573 204254136 /nfs/dbraw/zinc/25/41/36/204254136.db2.gz KFSRAGVGPJCBJL-FQEVSTJZSA-N 0 0 389.367 4.095 50 5 GIBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000007954002 204255387 /nfs/dbraw/zinc/25/53/87/204255387.db2.gz UPEZNTBHWZAFFK-AWEZNQCLSA-N 0 0 387.867 4.342 50 5 GIBARN CC(=O)c1ccc(OCCCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008938787 204294333 /nfs/dbraw/zinc/29/43/33/204294333.db2.gz GTUIRNVIIDTCHC-OAHLLOKOSA-N 0 0 384.432 4.176 50 5 GIBARN O=C(c1ccccc1)c1ccc(Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000008194320 204265222 /nfs/dbraw/zinc/26/52/22/204265222.db2.gz ZHNMYNKCEPHTQG-UHFFFAOYSA-N 0 0 376.368 4.341 50 5 GIBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 ZINC000009216709 204303339 /nfs/dbraw/zinc/30/33/39/204303339.db2.gz AISDLKPCWRHHGB-UHFFFAOYSA-N 0 0 399.406 4.283 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000010844319 204339449 /nfs/dbraw/zinc/33/94/49/204339449.db2.gz FUOXATXBXBPFHC-CQSZACIVSA-N 0 0 380.400 4.013 50 5 GIBARN COc1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)ccc1OC(F)F ZINC000009724771 204322679 /nfs/dbraw/zinc/32/26/79/204322679.db2.gz VAJIGSUQVWECBF-UHFFFAOYSA-N 0 0 392.358 4.010 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010140010 204331271 /nfs/dbraw/zinc/33/12/71/204331271.db2.gz IKQHVYNDIIBDPS-UHFFFAOYSA-N 0 0 392.459 4.203 50 5 GIBARN O=C(NCC1(c2ccccc2)CCC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000010221544 204331382 /nfs/dbraw/zinc/33/13/82/204331382.db2.gz FOJVEBCFGCTOQW-UHFFFAOYSA-N 0 0 389.249 4.209 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000010577092 204337043 /nfs/dbraw/zinc/33/70/43/204337043.db2.gz KSIJSTBYTYFTNJ-UHFFFAOYSA-N 0 0 382.445 4.365 50 5 GIBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011314199 204344477 /nfs/dbraw/zinc/34/44/77/204344477.db2.gz VXXHKPXPNRAZHO-AWEZNQCLSA-N 0 0 395.415 4.001 50 5 GIBARN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000017304705 204611721 /nfs/dbraw/zinc/61/17/21/204611721.db2.gz JYOFBOSUGWFFSF-UHFFFAOYSA-N 0 0 391.383 4.362 50 5 GIBARN COc1cccc([C@H]2c3cccn3CCCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036348328 205013011 /nfs/dbraw/zinc/01/30/11/205013011.db2.gz QUMRRFYQUVXASF-QFIPXVFZSA-N 0 0 377.444 4.400 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 ZINC000040068787 205048207 /nfs/dbraw/zinc/04/82/07/205048207.db2.gz KOKCALJKFGKUDK-JKSUJKDBSA-N 0 0 393.447 4.244 50 5 GIBARN C[C@@H](NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000040068788 205048286 /nfs/dbraw/zinc/04/82/86/205048286.db2.gz KOKCALJKFGKUDK-HZPDHXFCSA-N 0 0 393.447 4.244 50 5 GIBARN O=C(Nc1nnc(C2CC2)s1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000040128849 205056130 /nfs/dbraw/zinc/05/61/30/205056130.db2.gz QNKBXUBTNLHKRD-UHFFFAOYSA-N 0 0 382.401 4.368 50 5 GIBARN COc1ccc(CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] ZINC000041107655 205076986 /nfs/dbraw/zinc/07/69/86/205076986.db2.gz KTGPWFSQLBYVIM-UHFFFAOYSA-N 0 0 377.403 4.414 50 5 GIBARN Cc1oc2cc(Oc3c([N+](=O)[O-])ncn3C)ccc2c(=O)c1-c1ccccc1 ZINC000053897025 205137958 /nfs/dbraw/zinc/13/79/58/205137958.db2.gz PLTIQVFLQBHITO-UHFFFAOYSA-N 0 0 377.356 4.202 50 5 GIBARN CN(Cc1cccc2ccccc21)C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000049653664 205129747 /nfs/dbraw/zinc/12/97/47/205129747.db2.gz JKQTZZDPJMFEOS-UHFFFAOYSA-N 0 0 386.411 4.206 50 5 GIBARN Cc1cc(NC[C@@H](O)c2ccc(Cl)cc2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000059385205 205178234 /nfs/dbraw/zinc/17/82/34/205178234.db2.gz LUTGVQXJNQWTLN-QGZVFWFLSA-N 0 0 384.823 4.159 50 5 GIBARN Cc1ccc(Sc2ccc(C(=O)N3CCOCC3(C)C)cc2[N+](=O)[O-])cc1 ZINC000064813047 205195642 /nfs/dbraw/zinc/19/56/42/205195642.db2.gz XMPVHNMOGDPAEP-UHFFFAOYSA-N 0 0 386.473 4.305 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000065585799 205238430 /nfs/dbraw/zinc/23/84/30/205238430.db2.gz ZRWONHGGHLKFSX-IINYFYTJSA-N 0 0 393.852 4.022 50 5 GIBARN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000069350865 205273824 /nfs/dbraw/zinc/27/38/24/205273824.db2.gz AJCULLALZHKBEX-UHFFFAOYSA-N 0 0 389.383 4.011 50 5 GIBARN CC[C@H](C)[C@H](NC(=O)c1cccs1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277033 205554166 /nfs/dbraw/zinc/55/41/66/205554166.db2.gz XHLRQLCCGXLHAM-NHYWBVRUSA-N 0 0 386.433 4.224 50 5 GIBARN CC[C@H](C)[C@@H](NC(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277767 205554602 /nfs/dbraw/zinc/55/46/02/205554602.db2.gz SJYCTDJLIJZKGK-XHDPSFHLSA-N 0 0 386.433 4.224 50 5 GIBARN CC[C@@H](C)[C@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096276990 205554775 /nfs/dbraw/zinc/55/47/75/205554775.db2.gz ZGABFJNNOBLWAV-PXAZEXFGSA-N 0 0 398.394 4.301 50 5 GIBARN CC(C)CNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000101856540 205626479 /nfs/dbraw/zinc/62/64/79/205626479.db2.gz CIGIXZUPNMBOPR-LJQANCHMSA-N 0 0 379.460 4.381 50 5 GIBARN COc1ccc(-c2ccc(SCC(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1 ZINC000004355814 205746605 /nfs/dbraw/zinc/74/66/05/205746605.db2.gz VURMILOIVLLJJT-UHFFFAOYSA-N 0 0 381.413 4.035 50 5 GIBARN Cn1c2ccc([N+](=O)[O-])cc2s/c1=N/C(=O)c1cc(Cl)sc1Cl ZINC000225548353 206057273 /nfs/dbraw/zinc/05/72/73/206057273.db2.gz ZBDBPYPEFPHMEB-DTQAZKPQSA-N 0 0 388.257 4.257 50 5 GIBARN Cc1cccc(C(=O)NCc2ccc(COc3ccccc3)cc2)c1[N+](=O)[O-] ZINC000032304360 206088518 /nfs/dbraw/zinc/08/85/18/206088518.db2.gz RCWYFHKKVLWIOT-UHFFFAOYSA-N 0 0 376.412 4.412 50 5 GIBARN O=c1c2ccccc2nc(/C=C\c2cccc([N+](=O)[O-])c2)n1-c1cccc(O)c1 ZINC000033761257 206099508 /nfs/dbraw/zinc/09/95/08/206099508.db2.gz LARKDLKRSVJSAQ-QXMHVHEDSA-N 0 0 385.379 4.170 50 5 GIBARN Cc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1[N+](=O)[O-] ZINC000014066845 221297589 /nfs/dbraw/zinc/29/75/89/221297589.db2.gz UMNZVDWLXLNXMT-UHFFFAOYSA-N 0 0 383.385 4.008 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@H](C(F)(F)F)C1 ZINC000004063434 136193639 /nfs/dbraw/zinc/19/36/39/136193639.db2.gz UECWBKVDZUIWTH-SSDOTTSWSA-N 0 0 387.236 4.301 50 5 GIBARN COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1Sc1ccc(NC(C)=O)cc1 ZINC000170613095 518025185 /nfs/dbraw/zinc/02/51/85/518025185.db2.gz DXRYPKDPWAABRU-UHFFFAOYSA-N 0 0 380.809 4.144 50 5 GIBARN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000008185905 527114196 /nfs/dbraw/zinc/11/41/96/527114196.db2.gz BHJOFJWFQJDQNJ-HNNXBMFYSA-N 0 0 376.796 4.058 50 5 GIBARN CCOc1c(Cl)cc(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC ZINC000048362653 570244536 /nfs/dbraw/zinc/24/45/36/570244536.db2.gz JBCMZDWTSRSFTA-UHFFFAOYSA-N 0 0 399.230 4.239 50 5 GIBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccc(Br)cc1 ZINC000001506767 570252433 /nfs/dbraw/zinc/25/24/33/570252433.db2.gz CHCMKDYQLLHHLD-JLLAUFTHSA-N 0 0 399.200 4.367 50 5 GIBARN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1 ZINC000001509229 570253547 /nfs/dbraw/zinc/25/35/47/570253547.db2.gz AHFKYDMUFHZVJR-UHFFFAOYSA-N 0 0 397.412 4.147 50 5 GIBARN O=c1c2cnc3nc4ccccc4n3c2ccn1-c1cccc(OC(F)(F)F)c1 ZINC000022607801 570255409 /nfs/dbraw/zinc/25/54/09/570255409.db2.gz YORLTUMAVKGPGI-UHFFFAOYSA-N 0 0 396.328 4.085 50 5 GIBARN COc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC ZINC000012825201 570261863 /nfs/dbraw/zinc/26/18/63/570261863.db2.gz OPBSVIARBRMVHC-UHFFFAOYSA-N 0 0 384.310 4.192 50 5 GIBARN COc1ccc(CNc2cc(C)nc3cc(-c4cccc([N+](=O)[O-])c4)nn32)cc1 ZINC000015830157 570268481 /nfs/dbraw/zinc/26/84/81/570268481.db2.gz WRMRDNUIKKIKQM-UHFFFAOYSA-N 0 0 389.415 4.234 50 5 GIBARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000012928091 570297961 /nfs/dbraw/zinc/29/79/61/570297961.db2.gz MEBNVCIQKCLUEZ-NRFANRHFSA-N 0 0 393.468 4.243 50 5 GIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012932108 570301627 /nfs/dbraw/zinc/30/16/27/570301627.db2.gz PZHQVEIMXWKXEY-HXUWFJFHSA-N 0 0 383.448 4.159 50 5 GIBARN COc1ccc(C2(CNC(=O)c3cccc([N+](=O)[O-])c3)CCCCC2)cc1OC ZINC000000725545 570303966 /nfs/dbraw/zinc/30/39/66/570303966.db2.gz PHHWLCVYLQJAQA-UHFFFAOYSA-N 0 0 398.459 4.244 50 5 GIBARN Cn1c(=O)c(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc2ccccc21 ZINC000218375378 570332917 /nfs/dbraw/zinc/33/29/17/570332917.db2.gz AEOQOGKTCYJFGI-UHFFFAOYSA-N 0 0 382.379 4.082 50 5 GIBARN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000830462 570384545 /nfs/dbraw/zinc/38/45/45/570384545.db2.gz DVCPUZLSSFALDN-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN CCN(C(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1)c1ccccc1 ZINC000005065152 570408999 /nfs/dbraw/zinc/40/89/99/570408999.db2.gz MEDUAHQQOYXMKJ-UHFFFAOYSA-N 0 0 376.416 4.269 50 5 GIBARN Cc1c(C(=O)OCc2ccc(C(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000005067932 570409344 /nfs/dbraw/zinc/40/93/44/570409344.db2.gz BDPQLTZQVSGHIQ-UHFFFAOYSA-N 0 0 375.380 4.491 50 5 GIBARN O=c1cc(CN2CCN(c3ccccc3F)CC2)c2c(ccc3ccccc32)o1 ZINC000054106018 570440972 /nfs/dbraw/zinc/44/09/72/570440972.db2.gz KFZQANKBNRHDOE-UHFFFAOYSA-N 0 0 388.442 4.408 50 5 GIBARN Cc1ccccc1-c1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1 ZINC000002215526 570449138 /nfs/dbraw/zinc/44/91/38/570449138.db2.gz SYUWWDMWGZBSSB-UHFFFAOYSA-N 0 0 380.403 4.468 50 5 GIBARN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1cccc(Cl)c1 ZINC000003208143 570596321 /nfs/dbraw/zinc/59/63/21/570596321.db2.gz YEGAEOJJNPUEGF-UHFFFAOYSA-N 0 0 397.730 4.110 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000000861622 570663892 /nfs/dbraw/zinc/66/38/92/570663892.db2.gz SRRORRMZAYEYPV-NTEUORMPSA-N 0 0 387.395 4.499 50 5 GIBARN COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1OC ZINC000000877711 570679241 /nfs/dbraw/zinc/67/92/41/570679241.db2.gz XHSRVFCEWCEGQY-UHFFFAOYSA-N 0 0 399.428 4.296 50 5 GIBARN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000935460 570727288 /nfs/dbraw/zinc/72/72/88/570727288.db2.gz UEBKCKZFKAMZKA-VIFPVBQESA-N 0 0 399.628 4.417 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1Nc1ncnc2ccc(Br)cc21 ZINC000000955720 570737078 /nfs/dbraw/zinc/73/70/78/570737078.db2.gz JIBVWIURXCVUHL-UHFFFAOYSA-N 0 0 375.182 4.053 50 5 GIBARN COc1ccc(CNC(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)cc1 ZINC000001082920 570751011 /nfs/dbraw/zinc/75/10/11/570751011.db2.gz POCCAQFELPMNPP-UHFFFAOYSA-N 0 0 376.821 4.402 50 5 GIBARN COc1cc(Br)ccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000001116716 570753939 /nfs/dbraw/zinc/75/39/39/570753939.db2.gz RCIAWDIZIAYESU-RUDMXATFSA-N 0 0 377.194 4.018 50 5 GIBARN CC(C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000001146538 570754967 /nfs/dbraw/zinc/75/49/67/570754967.db2.gz DCSMAFSUNAUKNX-VAWYXSNFSA-N 0 0 377.400 4.412 50 5 GIBARN O=C(Nc1nnc(-c2ccc(F)cc2Cl)s1)c1cccc([N+](=O)[O-])c1 ZINC000001132013 570756267 /nfs/dbraw/zinc/75/62/67/570756267.db2.gz GQIMHHHDRUMKIU-UHFFFAOYSA-N 0 0 378.772 4.158 50 5 GIBARN CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001150969 570757176 /nfs/dbraw/zinc/75/71/76/570757176.db2.gz CHYPDRJDXPTPFH-UHFFFAOYSA-N 0 0 376.368 4.439 50 5 GIBARN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000001181746 570791005 /nfs/dbraw/zinc/79/10/05/570791005.db2.gz ZQSHXDFLICCMFK-NSHDSACASA-N 0 0 387.461 4.249 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ncccc3o2)cc1 ZINC000001205107 570793338 /nfs/dbraw/zinc/79/33/38/570793338.db2.gz ILBLZRMJNIMFAL-IZZDOVSWSA-N 0 0 386.367 4.450 50 5 GIBARN CCC(=O)N=c1ccc2nc3ccc(NC(=O)CC)cc3n(-c3ccccc3)c-2c1 ZINC000526055869 570795475 /nfs/dbraw/zinc/79/54/75/570795475.db2.gz KZCOYRILXMBKNV-UHFFFAOYSA-N 0 0 398.466 4.316 50 5 GIBARN C[C@@H]1C[C@H]1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005693536 570813332 /nfs/dbraw/zinc/81/33/32/570813332.db2.gz VJWGHXBQWAGDIY-ZLENFMNRSA-N 0 0 388.807 4.127 50 5 GIBARN COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001228864 570821050 /nfs/dbraw/zinc/82/10/50/570821050.db2.gz CYCYXQWOYFRCKV-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN O=C1CCCC(=O)N1c1ccc(NCCCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004684470 570830129 /nfs/dbraw/zinc/83/01/29/570830129.db2.gz HOFPLAVDYQLKGB-UHFFFAOYSA-N 0 0 381.432 4.073 50 5 GIBARN CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000012525584 570830716 /nfs/dbraw/zinc/83/07/16/570830716.db2.gz YPWJWDKQIRHFGD-UHFFFAOYSA-N 0 0 394.765 4.265 50 5 GIBARN C[C@@H](Sc1nc2ccccc2n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000012546273 570847437 /nfs/dbraw/zinc/84/74/37/570847437.db2.gz HXWTVCALXSKVDT-SNVBAGLBSA-N 0 0 390.852 4.254 50 5 GIBARN CSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102678734 570858193 /nfs/dbraw/zinc/85/81/93/570858193.db2.gz MPVFBJMZQRZTGO-OAHLLOKOSA-N 0 0 385.449 4.216 50 5 GIBARN CCOc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000024460012 570872293 /nfs/dbraw/zinc/87/22/93/570872293.db2.gz KKVTTWZSUSFUDA-UHFFFAOYSA-N 0 0 386.429 4.491 50 5 GIBARN Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2C)C(=O)N2CCCCC2)cc1 ZINC000010254524 570893329 /nfs/dbraw/zinc/89/33/29/570893329.db2.gz TXCLAKMXHBSZJX-UHFFFAOYSA-N 0 0 381.432 4.464 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])o1)N(C(=O)N1CCCCC1)c1cccc(Cl)c1 ZINC000010254619 570893495 /nfs/dbraw/zinc/89/34/95/570893495.db2.gz FJJDJAHQPGOGOS-UHFFFAOYSA-N 0 0 377.784 4.094 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)Nc2ccn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000013330977 570896055 /nfs/dbraw/zinc/89/60/55/570896055.db2.gz NXUUIGCAJOPBLT-UHFFFAOYSA-N 0 0 387.852 4.302 50 5 GIBARN Cc1ccccc1-c1nc(CNc2ccc(Br)cc2[N+](=O)[O-])no1 ZINC000097163730 570901064 /nfs/dbraw/zinc/90/10/64/570901064.db2.gz VZMQYUGYXBJGCP-UHFFFAOYSA-N 0 0 389.209 4.328 50 5 GIBARN O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000014314794 570904567 /nfs/dbraw/zinc/90/45/67/570904567.db2.gz FYDQOBXAEPOVNC-HNNXBMFYSA-N 0 0 382.445 4.184 50 5 GIBARN CCc1cccc(CC)c1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000032906129 570904714 /nfs/dbraw/zinc/90/47/14/570904714.db2.gz PTADKZVFVPNUCD-UHFFFAOYSA-N 0 0 384.461 4.327 50 5 GIBARN Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Sc2cccs2)no1 ZINC000089606784 570907445 /nfs/dbraw/zinc/90/74/45/570907445.db2.gz GDQSXIUQMLSGCH-UHFFFAOYSA-N 0 0 391.430 4.121 50 5 GIBARN COc1ccc(C(=O)OCc2csc(Nc3ccccc3)n2)cc1[N+](=O)[O-] ZINC000032909978 570912532 /nfs/dbraw/zinc/91/25/32/570912532.db2.gz MHKYEFBJCRVGRN-UHFFFAOYSA-N 0 0 385.401 4.161 50 5 GIBARN CC[C@@H]1CCCCN1c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000034612872 570922251 /nfs/dbraw/zinc/92/22/51/570922251.db2.gz GSJDDBAZTFDDES-OAHLLOKOSA-N 0 0 378.432 4.267 50 5 GIBARN Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1 ZINC000004167471 570969109 /nfs/dbraw/zinc/96/91/09/570969109.db2.gz RXNONQTWMLCYTB-UHFFFAOYSA-N 0 0 386.458 4.153 50 5 GIBARN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCCCCCC1 ZINC000084341181 571013515 /nfs/dbraw/zinc/01/35/15/571013515.db2.gz SHWNFNUVABDZKL-UHFFFAOYSA-N 0 0 376.400 4.498 50 5 GIBARN COc1ccc(CCC2CCN(C(=O)c3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000012774350 571027651 /nfs/dbraw/zinc/02/76/51/571027651.db2.gz XAVQVMVYPPSVPC-UHFFFAOYSA-N 0 0 382.460 4.397 50 5 GIBARN C[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000084656324 571029856 /nfs/dbraw/zinc/02/98/56/571029856.db2.gz STBGXMFVZSBFMW-ZBEGNZNMSA-N 0 0 375.425 4.331 50 5 GIBARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000857108 817373830 /nfs/dbraw/zinc/37/38/30/817373830.db2.gz JOLXKDSEOSEWQV-GOSISDBHSA-N 0 0 390.395 4.006 50 5 GIBARN CCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002284896 817382639 /nfs/dbraw/zinc/38/26/39/817382639.db2.gz VTIIIRBKLSYGER-UHFFFAOYSA-N 0 0 397.482 4.451 50 5 GIBARN CC1(C)Cc2c3c(nc(-c4ccccc4)c2CO1)sc1c3ncn2cnnc12 ZINC000002314533 817384077 /nfs/dbraw/zinc/38/40/77/817384077.db2.gz SLASBNMIHLVODQ-UHFFFAOYSA-N 0 0 387.468 4.406 50 5 GIBARN CCOc1ccccc1NC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000002331295 817384548 /nfs/dbraw/zinc/38/45/48/817384548.db2.gz CFGPBPYOBPFGGP-UHFFFAOYSA-N 0 0 389.458 4.334 50 5 GIBARN CC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000002397962 817387010 /nfs/dbraw/zinc/38/70/10/817387010.db2.gz CCXHLUBFTKCFQM-KRWDZBQOSA-N 0 0 397.427 4.155 50 5 GIBARN O=Cc1cc([N+](=O)[O-])ccc1SCCSc1ccc([N+](=O)[O-])cc1C=O ZINC000002534528 817392095 /nfs/dbraw/zinc/39/20/95/817392095.db2.gz CFSRJUWPFQCGHQ-UHFFFAOYSA-N 0 0 392.414 4.012 50 5 GIBARN O=C(NCc1ccccc1Cl)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002763543 817399937 /nfs/dbraw/zinc/39/99/37/817399937.db2.gz MRCPYBSYIOAUPE-UHFFFAOYSA-N 0 0 386.791 4.350 50 5 GIBARN Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2ccccc2o1 ZINC000002876649 817404222 /nfs/dbraw/zinc/40/42/22/817404222.db2.gz CIWXYYFDYBLQTR-UHFFFAOYSA-N 0 0 394.412 4.112 50 5 GIBARN Cc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002898289 817404910 /nfs/dbraw/zinc/40/49/10/817404910.db2.gz YTQUQQQFJIWNJW-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN O=C(NCc1ccccc1Cl)c1cccn2c(=O)c3cc(Cl)ccc3nc12 ZINC000002957351 817408948 /nfs/dbraw/zinc/40/89/48/817408948.db2.gz CPTMLVKYQZXSNV-UHFFFAOYSA-N 0 0 398.249 4.085 50 5 GIBARN Nc1nc(/C=C/c2cccc([N+](=O)[O-])c2)cc(/C=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000004012015 817496386 /nfs/dbraw/zinc/49/63/86/817496386.db2.gz PYZGTNAEFHAQKT-FIFLTTCUSA-N 0 0 389.371 4.216 50 5 GIBARN CC(C)Oc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000004120654 817505871 /nfs/dbraw/zinc/50/58/71/817505871.db2.gz ZZJAWXBROWKGJZ-UHFFFAOYSA-N 0 0 399.472 4.127 50 5 GIBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000004175996 817508118 /nfs/dbraw/zinc/50/81/18/817508118.db2.gz YRPCHQVHVAFROF-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN CCOC(=O)c1ccsc1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000004281438 817516594 /nfs/dbraw/zinc/51/65/94/817516594.db2.gz XNIOAJXEVJKASX-UHFFFAOYSA-N 0 0 393.420 4.437 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(NC[C@@H]3CCCO3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706689 817533348 /nfs/dbraw/zinc/53/33/48/817533348.db2.gz QVAVAXFGIGDMCS-HNNXBMFYSA-N 0 0 389.839 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O=[N+]([O-])c1ccc(NCCNc2ccc([N+](=O)[O-])c3cccnc23)c(Cl)c1 ZINC000004663110 204060697 /nfs/dbraw/zinc/06/06/97/204060697.db2.gz NUDMRNNZESBMQL-UHFFFAOYSA-N 0 0 387.783 4.229 50 5 GIBARN CC1CCN(c2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])CC1 ZINC000004668111 204062174 /nfs/dbraw/zinc/06/21/74/204062174.db2.gz VMDJMETXOPWARJ-UHFFFAOYSA-N 0 0 375.375 4.362 50 5 GIBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000004683789 204063387 /nfs/dbraw/zinc/06/33/87/204063387.db2.gz WNMCKUDRUZXJGH-HZPDHXFCSA-N 0 0 397.406 4.026 50 5 GIBARN O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005124338 204112303 /nfs/dbraw/zinc/11/23/03/204112303.db2.gz SFXVNEMZLYFLNI-UHFFFAOYSA-N 0 0 388.336 4.018 50 5 GIBARN CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005103173 204113014 /nfs/dbraw/zinc/11/30/14/204113014.db2.gz YWCRXXGTRFQWBU-UHFFFAOYSA-N 0 0 390.823 4.341 50 5 GIBARN COc1ccc(COc2ccsc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005320772 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391.830 4.260 50 5 GIBARN COc1ccc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)cc1OC ZINC000040127206 204875904 /nfs/dbraw/zinc/87/59/04/204875904.db2.gz APDTXAFNCLPPSN-UHFFFAOYSA-N 0 0 387.417 4.263 50 5 GIBARN COc1ccc(OCc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 ZINC000033326942 204961411 /nfs/dbraw/zinc/96/14/11/204961411.db2.gz ORVDEQGFKPZMKK-UHFFFAOYSA-N 0 0 391.456 4.092 50 5 GIBARN O=C(N[C@@H](c1cccs1)c1ccc(F)cc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000036395051 205016066 /nfs/dbraw/zinc/01/60/66/205016066.db2.gz GVEUQSVQOUQLDU-QGZVFWFLSA-N 0 0 396.403 4.191 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000042689188 205080785 /nfs/dbraw/zinc/08/07/85/205080785.db2.gz NQSZLNGRZJQNMX-UHFFFAOYSA-N 0 0 376.815 4.468 50 5 GIBARN COC(=O)c1ccc(OCc2csc(-c3cccs3)n2)c([N+](=O)[O-])c1 ZINC000053920402 205138299 /nfs/dbraw/zinc/13/82/99/205138299.db2.gz MNQZMXRCGHQLKA-UHFFFAOYSA-N 0 0 376.415 4.145 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCOc1cccc(Cl)c1 ZINC000065595937 205240167 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GIBARN C[C@@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000032910061 206096595 /nfs/dbraw/zinc/09/65/95/206096595.db2.gz METGMGSVWSPFAI-GFCCVEGCSA-N 0 0 382.844 4.479 50 5 GIBARN C[C@H](OC(=O)CSc1ccsc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc21 ZINC000032934805 206096637 /nfs/dbraw/zinc/09/66/37/206096637.db2.gz YMKBMIWOFSOWTH-JTQLQIEISA-N 0 0 390.442 4.044 50 5 GIBARN Cc1ccc(C)c(NC(=O)COC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000010087150 221096622 /nfs/dbraw/zinc/09/66/22/221096622.db2.gz VZQKSPFKPVCOLS-SOFGYWHQSA-N 0 0 388.807 4.060 50 5 GIBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCc2ccccc21 ZINC000040133977 132399113 /nfs/dbraw/zinc/39/91/13/132399113.db2.gz VURPLEPTHODWRI-UHFFFAOYSA-N 0 0 379.460 4.181 50 5 GIBARN COc1cc(OC)c(C2=CCN(c3cccc(F)c3[N+](=O)[O-])CC2)c(OC)c1 ZINC000060564939 136155753 /nfs/dbraw/zinc/15/57/53/136155753.db2.gz LLNUTHRHGCNSRV-UHFFFAOYSA-N 0 0 388.395 4.053 50 5 GIBARN Cc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1N1CCCCC1=O ZINC000005441752 136194890 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GIBARN COc1cc2c(c(OC)c1[N+](=O)[O-])C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C ZINC000000728328 570308992 /nfs/dbraw/zinc/30/89/92/570308992.db2.gz STKCPHGHUFFPJW-NRFANRHFSA-N 0 0 382.416 4.142 50 5 GIBARN O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000000830151 570383199 /nfs/dbraw/zinc/38/31/99/570383199.db2.gz FVBKBVYFSQZAJB-UHFFFAOYSA-N 0 0 393.790 4.234 50 5 GIBARN O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])o1 ZINC000000830451 570384584 /nfs/dbraw/zinc/38/45/84/570384584.db2.gz PAAGSGNVHWENBB-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN COc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)c([N+](=O)[O-])c1 ZINC000005034606 570403249 /nfs/dbraw/zinc/40/32/49/570403249.db2.gz BEZTWKFZUFJKTC-UHFFFAOYSA-N 0 0 397.343 4.332 50 5 GIBARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 ZINC000100596348 570408682 /nfs/dbraw/zinc/40/86/82/570408682.db2.gz FJCJXTYCNLBKCY-PMACEKPBSA-N 0 0 376.412 4.498 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1CSc1nnc(-c2ccc(Cl)cc2)n1C ZINC000005065650 570409412 /nfs/dbraw/zinc/40/94/12/570409412.db2.gz UBQKILUDVIFCHM-UHFFFAOYSA-N 0 0 390.852 4.345 50 5 GIBARN CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)n1 ZINC000005068096 570410681 /nfs/dbraw/zinc/41/06/81/570410681.db2.gz GMEPOPCDVBYJLV-UHFFFAOYSA-N 0 0 384.827 4.000 50 5 GIBARN O=C(NCCCF)NCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000152635696 570494115 /nfs/dbraw/zinc/49/41/15/570494115.db2.gz HOFKUCJYQRUTPM-UHFFFAOYSA-N 0 0 399.781 4.338 50 5 GIBARN CCCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c1 ZINC000002053740 570500644 /nfs/dbraw/zinc/50/06/44/570500644.db2.gz MFCDUQFEWFXYLE-UHFFFAOYSA-N 0 0 391.424 4.040 50 5 GIBARN CCOc1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3C)c2)nn1 ZINC000005259642 570533518 /nfs/dbraw/zinc/53/35/18/570533518.db2.gz ONXCNIAOBPBRPB-UHFFFAOYSA-N 0 0 378.388 4.011 50 5 GIBARN CCN(CC)Cc1nc2sc(C)c(C)c2c(Oc2cccnc2[N+](=O)[O-])n1 ZINC000007983397 570557395 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50 5 GIBARN COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCCC2 ZINC000000994054 570742080 /nfs/dbraw/zinc/74/20/80/570742080.db2.gz GRHHUQLKYMETJQ-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN O=[N+]([O-])c1ccc(-n2ncc(-c3nnc(-c4ccco4)o3)c2C(F)(F)F)cc1 ZINC000001027817 570747242 /nfs/dbraw/zinc/74/72/42/570747242.db2.gz GMKYNBCNSLNLGF-UHFFFAOYSA-N 0 0 391.265 4.109 50 5 GIBARN COCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000013238053 570751541 /nfs/dbraw/zinc/75/15/41/570751541.db2.gz QZIMXQDCDXEMCU-UHFFFAOYSA-N 0 0 394.475 4.168 50 5 GIBARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)n1 ZINC000001124050 570754832 /nfs/dbraw/zinc/75/48/32/570754832.db2.gz UFJFKQWJFFPUSP-UHFFFAOYSA-N 0 0 385.807 4.408 50 5 GIBARN O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001161196 570758584 /nfs/dbraw/zinc/75/85/84/570758584.db2.gz VPBQKWUAEWQTNS-HSZRJFAPSA-N 0 0 398.418 4.235 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 ZINC000001162394 570758978 /nfs/dbraw/zinc/75/89/78/570758978.db2.gz FNAGZMDUKRMAJZ-UHFFFAOYSA-N 0 0 393.428 4.182 50 5 GIBARN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 ZINC000001162230 570759357 /nfs/dbraw/zinc/75/93/57/570759357.db2.gz YOSLMQUXWVINRR-UHFFFAOYSA-N 0 0 396.424 4.139 50 5 GIBARN Cc1c2ccccc2oc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001175958 570787422 /nfs/dbraw/zinc/78/74/22/570787422.db2.gz ZTSLJJBQAYIGHU-UHFFFAOYSA-N 0 0 389.820 4.430 50 5 GIBARN Cc1cc(C(=O)NC(=S)Nc2ccc3c4c(cccc42)CC3)ccc1[N+](=O)[O-] ZINC000001175713 570787436 /nfs/dbraw/zinc/78/74/36/570787436.db2.gz STLNSQBLEWDCHC-UHFFFAOYSA-N 0 0 391.452 4.282 50 5 GIBARN CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000001172722 570787523 /nfs/dbraw/zinc/78/75/23/570787523.db2.gz JTAIEKVRAKVGFF-ZDLGFXPLSA-N 0 0 393.424 4.264 50 5 GIBARN O=C(OCc1ccc(-n2cccn2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000032744785 570788172 /nfs/dbraw/zinc/78/81/72/570788172.db2.gz FHEBCRPFGWKISS-UHFFFAOYSA-N 0 0 389.367 4.398 50 5 GIBARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001181374 570790829 /nfs/dbraw/zinc/79/08/29/570790829.db2.gz OOJORDDVHHVBKE-FPYGCLRLSA-N 0 0 396.255 4.428 50 5 GIBARN Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000001204102 570793490 /nfs/dbraw/zinc/79/34/90/570793490.db2.gz LVOTWUMBSLXOKI-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1ccco1 ZINC000001217927 570795662 /nfs/dbraw/zinc/79/56/62/570795662.db2.gz IOIJOUKZJUNCJN-UHFFFAOYSA-N 0 0 395.371 4.009 50 5 GIBARN CC(C)[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012517564 570826677 /nfs/dbraw/zinc/82/66/77/570826677.db2.gz WJTRFQDQELJNHQ-OAQYLSRUSA-N 0 0 381.476 4.325 50 5 GIBARN CC(C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718500 570829798 /nfs/dbraw/zinc/82/97/98/570829798.db2.gz AIHOFQIPKURNBV-LJQANCHMSA-N 0 0 394.431 4.091 50 5 GIBARN CC(C)[C@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718475 570830027 /nfs/dbraw/zinc/83/00/27/570830027.db2.gz WSUVAACAUVEMKF-CWRQFWGNSA-N 0 0 392.415 4.172 50 5 GIBARN O=[N+]([O-])c1ccc2nc(Nc3cccc(I)c3)oc2c1 ZINC000012545163 570845945 /nfs/dbraw/zinc/84/59/45/570845945.db2.gz DQQQRDDJINEFKQ-UHFFFAOYSA-N 0 0 381.129 4.084 50 5 GIBARN O=C(c1cc2cc([N+](=O)[O-])ccc2s1)N1CCCN(Cc2ccccc2)CC1 ZINC000032848482 570853797 /nfs/dbraw/zinc/85/37/97/570853797.db2.gz ACMLGOGXYDBOAK-UHFFFAOYSA-N 0 0 395.484 4.158 50 5 GIBARN Cc1cccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000024445761 570855532 /nfs/dbraw/zinc/85/55/32/570855532.db2.gz GNAXTTNCCPHUQJ-UHFFFAOYSA-N 0 0 382.441 4.299 50 5 GIBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(N(C)C4CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000102642418 570856829 /nfs/dbraw/zinc/85/68/29/570856829.db2.gz KNUHWCZJIYSCBW-FHLIZLRMSA-N 0 0 399.491 4.289 50 5 GIBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000102781187 570863139 /nfs/dbraw/zinc/86/31/39/570863139.db2.gz WNMCKUDRUZXJGH-HOTGVXAUSA-N 0 0 397.406 4.026 50 5 GIBARN CN(C)c1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1[N+](=O)[O-] ZINC000024459690 570871885 /nfs/dbraw/zinc/87/18/85/570871885.db2.gz OLNQEAMXFLMCNY-UHFFFAOYSA-N 0 0 385.445 4.158 50 5 GIBARN C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000170624835 570880825 /nfs/dbraw/zinc/88/08/25/570880825.db2.gz YWXMDBGIGIPQLG-WIEQDCTASA-N 0 0 395.459 4.160 50 5 GIBARN O=[N+]([O-])c1ccc(NCc2cnn(Cc3ccccc3)c2)c(Br)c1 ZINC000170624796 570880900 /nfs/dbraw/zinc/88/09/00/570880900.db2.gz RRTYJRIZOVKGOJ-UHFFFAOYSA-N 0 0 387.237 4.214 50 5 GIBARN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000170624837 570880938 /nfs/dbraw/zinc/88/09/38/570880938.db2.gz YWXMDBGIGIPQLG-LRAJWGHMSA-N 0 0 395.459 4.160 50 5 GIBARN CCCc1n[nH]c(C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000170623541 570881772 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O=[N+]([O-])c1cccc(-c2noc(Cn3c4ccccc4nc3C(F)(F)F)n2)c1 ZINC000045712988 570995168 /nfs/dbraw/zinc/99/51/68/570995168.db2.gz GMPIBEAWGQWGLX-UHFFFAOYSA-N 0 0 389.293 4.062 50 5 GIBARN COc1cccc(-n2c(/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 ZINC000004811635 570998524 /nfs/dbraw/zinc/99/85/24/570998524.db2.gz KRCJGFVCHHFMJX-YPKPFQOOSA-N 0 0 399.406 4.473 50 5 GIBARN CCOc1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000007614644 571001483 /nfs/dbraw/zinc/00/14/83/571001483.db2.gz MGMGUAZPOHIVSJ-UHFFFAOYSA-N 0 0 383.429 4.298 50 5 GIBARN NC(=O)c1ccc(CNc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000012750843 571003114 /nfs/dbraw/zinc/00/31/14/571003114.db2.gz OMSVDPGYQHVCTE-UHFFFAOYSA-N 0 0 379.441 4.457 50 5 GIBARN O=[N+]([O-])c1ccc(OC(F)F)c(NCc2cc(Cl)cc3c2OCOC3)c1 ZINC000084351249 571013942 /nfs/dbraw/zinc/01/39/42/571013942.db2.gz LYJDFVOJTGEPJF-UHFFFAOYSA-N 0 0 386.738 4.328 50 5 GIBARN O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084383285 571016645 /nfs/dbraw/zinc/01/66/45/571016645.db2.gz MVWKSTXMRFNNPB-HOTGVXAUSA-N 0 0 383.404 4.143 50 5 GIBARN C[C@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000084656322 571029719 /nfs/dbraw/zinc/02/97/19/571029719.db2.gz STBGXMFVZSBFMW-MEDUHNTESA-N 0 0 375.425 4.331 50 5 GIBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccc(I)cc3)n[nH]2)cc1 ZINC000001233235 817375847 /nfs/dbraw/zinc/37/58/47/817375847.db2.gz HQAZIQKFSNOSOC-UHFFFAOYSA-N 0 0 391.168 4.257 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccccc3)nc21 ZINC000002225086 817380066 /nfs/dbraw/zinc/38/00/66/817380066.db2.gz VMNOIZKDWKJSPW-UHFFFAOYSA-N 0 0 385.467 4.421 50 5 GIBARN CC(C)(C)OC(=O)NCCCC(=O)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000002368876 817385521 /nfs/dbraw/zinc/38/55/21/817385521.db2.gz QMBCOTDVTCVRSE-UHFFFAOYSA-N 0 0 397.427 4.157 50 5 GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O ZINC000002436273 817389596 /nfs/dbraw/zinc/38/95/96/817389596.db2.gz VCGNLSHYSCEWRF-UHFFFAOYSA-N 0 0 397.482 4.256 50 5 GIBARN O=[N+]([O-])c1cccc(-c2ccc(-c3nn4c(nnc4-c4ccco4)s3)o2)c1 ZINC000002706897 817397975 /nfs/dbraw/zinc/39/79/75/817397975.db2.gz CCWGUBOXELMCHG-UHFFFAOYSA-N 0 0 379.357 4.281 50 5 GIBARN Cc1cc(C(F)F)nc2sc3c(ncn(-c4ccc([N+](=O)[O-])cc4)c3=O)c21 ZINC000002785883 817399968 /nfs/dbraw/zinc/39/99/68/817399968.db2.gz UHFUJTCULWHRQQ-UHFFFAOYSA-N 0 0 388.355 4.150 50 5 GIBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000002790426 817400460 /nfs/dbraw/zinc/40/04/60/817400460.db2.gz QVPMXMGYLYFCJA-UHFFFAOYSA-N 0 0 389.673 4.428 50 5 GIBARN CCc1c(C)sc2ncn3nc([C@H](C)Oc4ccccc4[N+](=O)[O-])nc3c12 ZINC000002790336 817400473 /nfs/dbraw/zinc/40/04/73/817400473.db2.gz QVXGSUCHBZHKTQ-JTQLQIEISA-N 0 0 383.433 4.258 50 5 GIBARN Cc1ccc(SCc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000002844387 817403454 /nfs/dbraw/zinc/40/34/54/817403454.db2.gz BNLNFWXJBMYWOW-UHFFFAOYSA-N 0 0 386.458 4.299 50 5 GIBARN COc1c(C)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000002860478 817403489 /nfs/dbraw/zinc/40/34/89/817403489.db2.gz KDRGPIPCPOTIMX-UHFFFAOYSA-N 0 0 379.210 4.235 50 5 GIBARN CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1[N+](=O)[O-] ZINC000002875611 817404266 /nfs/dbraw/zinc/40/42/66/817404266.db2.gz YCVMNVIVJUZIDV-UHFFFAOYSA-N 0 0 389.839 4.499 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1Cl ZINC000003158523 817419019 /nfs/dbraw/zinc/41/90/19/817419019.db2.gz FWPNTOWKIZFTFR-UHFFFAOYSA-N 0 0 397.730 4.110 50 5 GIBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)ccc1F ZINC000003329016 817437400 /nfs/dbraw/zinc/43/74/00/817437400.db2.gz UDMPAWAMGUCMKE-UHFFFAOYSA-N 0 0 398.721 4.207 50 5 GIBARN COc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000003445704 817457421 /nfs/dbraw/zinc/45/74/21/817457421.db2.gz QUAQKCAPSQGNDP-SNVBAGLBSA-N 0 0 399.230 4.166 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2)CSC3)c(C)c1 ZINC000004175994 817508143 /nfs/dbraw/zinc/50/81/43/817508143.db2.gz YMNZEMCEOJKSMN-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN Cc1ccc(/C=C2\N=C(c3ccc(C(F)(F)F)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000007058235 817749479 /nfs/dbraw/zinc/74/94/79/817749479.db2.gz XUFRGDPBWKTZMY-ZSOIEALJSA-N 0 0 376.290 4.267 50 5 GIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000021091454 818652319 /nfs/dbraw/zinc/65/23/19/818652319.db2.gz ZEYYBTPQHITERE-QGZVFWFLSA-N 0 0 394.214 4.315 50 5 GIBARN C[C@@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000027742245 820281616 /nfs/dbraw/zinc/28/16/16/820281616.db2.gz NOJNPWAVDJUUQI-LLVKDONJSA-N 0 0 395.278 4.327 50 5 GIBARN COc1cc(C)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC ZINC000040134356 821145891 /nfs/dbraw/zinc/14/58/91/821145891.db2.gz ZGJPKPDGYNHKAW-LLVKDONJSA-N 0 0 378.812 4.065 50 5 GIBARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)o2)c(C)c1Cl ZINC000000657070 203845169 /nfs/dbraw/zinc/84/51/69/203845169.db2.gz HBNOFDBVCZEUHI-UHFFFAOYSA-N 0 0 392.774 4.094 50 5 GIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCCC2 ZINC000000651616 203845187 /nfs/dbraw/zinc/84/51/87/203845187.db2.gz IIIGQDCNTJSOQW-UHFFFAOYSA-N 0 0 388.445 4.273 50 5 GIBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc2ccccc2oc1=O ZINC000001055861 203877660 /nfs/dbraw/zinc/87/76/60/203877660.db2.gz GNIOWGMCMTVSLT-UHFFFAOYSA-N 0 0 393.380 4.077 50 5 GIBARN CC[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000001161366 203891272 /nfs/dbraw/zinc/89/12/72/203891272.db2.gz CIPDMYPQZKWAJR-OAHLLOKOSA-N 0 0 392.205 4.176 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Oc1ccc(OCc2ccccc2)cc1 ZINC000001916539 203921744 /nfs/dbraw/zinc/92/17/44/203921744.db2.gz ASWPRUDHXFVSEF-UHFFFAOYSA-N 0 0 379.368 4.158 50 5 GIBARN Cc1ccccc1Nc1nnc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)s1 ZINC000002956076 203976136 /nfs/dbraw/zinc/97/61/36/203976136.db2.gz FTTCJVJQRZWEDC-UHFFFAOYSA-N 0 0 380.385 4.272 50 5 GIBARN O=[N+]([O-])c1c2nonc2c(Nc2cccc(O)c2)cc1Nc1ccccc1O ZINC000003880477 204021267 /nfs/dbraw/zinc/02/12/67/204021267.db2.gz GDBFKJBLANDXJL-UHFFFAOYSA-N 0 0 379.332 4.029 50 5 GIBARN CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000003880254 204021853 /nfs/dbraw/zinc/02/18/53/204021853.db2.gz NOWBWXQWUJRRCM-LFYBBSHMSA-N 0 0 379.460 4.080 50 5 GIBARN CN(C)c1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004014489 204024354 /nfs/dbraw/zinc/02/43/54/204024354.db2.gz LUHNZWGSPDACFX-UHFFFAOYSA-N 0 0 399.190 4.128 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc2ccccc2c1 ZINC000004090999 204026390 /nfs/dbraw/zinc/02/63/90/204026390.db2.gz PNMXCEIBEITMIN-DHZHZOJOSA-N 0 0 377.425 4.274 50 5 GIBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000004091686 204026881 /nfs/dbraw/zinc/02/68/81/204026881.db2.gz YXMZGESEYQCXAC-UHFFFAOYSA-N 0 0 391.452 4.240 50 5 GIBARN COc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])o3)nc3ccccc3c2=O)c1 ZINC000004142493 204028583 /nfs/dbraw/zinc/02/85/83/204028583.db2.gz QOWSFMCMERUXGH-PKNBQFBNSA-N 0 0 389.367 4.066 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(NCc3cccnc3)c([N+](=O)[O-])c2)cc1C ZINC000004165596 204030190 /nfs/dbraw/zinc/03/01/90/204030190.db2.gz PCSNQEOCEUBFOR-UHFFFAOYSA-N 0 0 376.416 4.471 50 5 GIBARN Cc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004714184 204068432 /nfs/dbraw/zinc/06/84/32/204068432.db2.gz TZDCHOJJLHLUQS-ZSOIEALJSA-N 0 0 387.189 4.010 50 5 GIBARN COc1ccccc1C(=O)Nc1sccc1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004749999 204073074 /nfs/dbraw/zinc/07/30/74/204073074.db2.gz YQBMVMSWHYLQGT-UHFFFAOYSA-N 0 0 397.412 4.170 50 5 GIBARN O=C(Nc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000004764669 204074168 /nfs/dbraw/zinc/07/41/68/204074168.db2.gz AXVJTLGISAXJCZ-HKWRFOASSA-N 0 0 387.395 4.004 50 5 GIBARN COc1ccc(CNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000004840008 204080801 /nfs/dbraw/zinc/08/08/01/204080801.db2.gz NNURIYCBRCTCHB-UHFFFAOYSA-N 0 0 386.791 4.447 50 5 GIBARN C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004840915 204080833 /nfs/dbraw/zinc/08/08/33/204080833.db2.gz INDIHWINDJCCGR-GJZGRUSLSA-N 0 0 381.432 4.250 50 5 GIBARN Cc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004534638 204050435 /nfs/dbraw/zinc/05/04/35/204050435.db2.gz PZSRWVJGCGRBIV-ZSOIEALJSA-N 0 0 387.189 4.010 50 5 GIBARN O=C(Nc1ccc(Br)cn1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004562069 204053011 /nfs/dbraw/zinc/05/30/11/204053011.db2.gz DYGATHRDPVZLDH-UHFFFAOYSA-N 0 0 388.177 4.265 50 5 GIBARN O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1ccc(Br)cc1 ZINC000004590096 204055728 /nfs/dbraw/zinc/05/57/28/204055728.db2.gz FPMRETSNFPPORU-XXIJSILDSA-N 0 0 399.200 4.367 50 5 GIBARN O=C1c2ccc(-c3nc4cc([N+](=O)[O-])ccc4o3)cc2C(=O)N1c1ccccc1 ZINC000004590748 204055765 /nfs/dbraw/zinc/05/57/65/204055765.db2.gz HOPUKDKRJXVIEI-UHFFFAOYSA-N 0 0 385.335 4.204 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br ZINC000004672818 204062440 /nfs/dbraw/zinc/06/24/40/204062440.db2.gz VBIGONSKSXVKKZ-UHFFFAOYSA-N 0 0 395.209 4.017 50 5 GIBARN CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@@H](C)c3ccccc3)c2)CC1 ZINC000004687546 204064529 /nfs/dbraw/zinc/06/45/29/204064529.db2.gz HKLDEQIBNVTKDL-KRWDZBQOSA-N 0 0 396.491 4.217 50 5 GIBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000005127463 204113630 /nfs/dbraw/zinc/11/36/30/204113630.db2.gz MGAXVCYXLQXMJB-AWEZNQCLSA-N 0 0 388.638 4.133 50 5 GIBARN CCCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(C)cc1 ZINC000005347567 204127504 /nfs/dbraw/zinc/12/75/04/204127504.db2.gz ODTINRZQTXTGIS-UHFFFAOYSA-N 0 0 387.483 4.414 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccccc3F)nc21 ZINC000005352749 204127856 /nfs/dbraw/zinc/12/78/56/204127856.db2.gz CTHXJOQLENKSDI-UHFFFAOYSA-N 0 0 389.430 4.170 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccc(Cl)c(Cl)c1 ZINC000005041524 204105931 /nfs/dbraw/zinc/10/59/31/204105931.db2.gz KBCWVFDIFBPPAP-UHFFFAOYSA-N 0 0 386.260 4.397 50 5 GIBARN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OCC)c1OCC ZINC000005042479 204106373 /nfs/dbraw/zinc/10/63/73/204106373.db2.gz RCFWFYQUPPGCTP-UHFFFAOYSA-N 0 0 388.420 4.352 50 5 GIBARN O=[N+]([O-])c1ccc(Sc2nc3cc(Br)ccc3[nH]2)c([N+](=O)[O-])c1 ZINC000005728856 204149340 /nfs/dbraw/zinc/14/93/40/204149340.db2.gz JDADTKFTZRPNOW-UHFFFAOYSA-N 0 0 395.194 4.293 50 5 GIBARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000005754736 204150552 /nfs/dbraw/zinc/15/05/52/204150552.db2.gz BJEGHJSHLIHEIP-UHFFFAOYSA-N 0 0 380.385 4.420 50 5 GIBARN O=[N+]([O-])c1cc(CSC2=Nc3ccccc3[C@H]3CC=NN23)c2c(c1)COCO2 ZINC000005825072 204152358 /nfs/dbraw/zinc/15/23/58/204152358.db2.gz NYHSSFLWZTXCGU-QGZVFWFLSA-N 0 0 396.428 4.128 50 5 GIBARN C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H]1C ZINC000005858228 204154880 /nfs/dbraw/zinc/15/48/80/204154880.db2.gz SQTWDHAUIDXVDK-NQBHXWOUSA-N 0 0 379.507 4.238 50 5 GIBARN Cc1cccc(C)c1NC(=O)CN(C)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000005898468 204156430 /nfs/dbraw/zinc/15/64/30/204156430.db2.gz LNCPELVFOLUGGT-UHFFFAOYSA-N 0 0 381.354 4.305 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NCc1cccnc1)c1ccccc1 ZINC000005939595 204158289 /nfs/dbraw/zinc/15/82/89/204158289.db2.gz IZQBURMWPFFPQA-LJQANCHMSA-N 0 0 396.834 4.113 50 5 GIBARN CCOc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1OCC ZINC000005939985 204158876 /nfs/dbraw/zinc/15/88/76/204158876.db2.gz ZGYRYAIRWCHKSL-UHFFFAOYSA-N 0 0 399.447 4.245 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000005525568 204137430 /nfs/dbraw/zinc/13/74/30/204137430.db2.gz RCUBUYOUVNUAJW-QPJJXVBHSA-N 0 0 381.266 4.174 50 5 GIBARN CCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000005597596 204141524 /nfs/dbraw/zinc/14/15/24/204141524.db2.gz SXRURKXGODKTAC-UHFFFAOYSA-N 0 0 393.852 4.164 50 5 GIBARN O=C(OCCOc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000006831439 204214038 /nfs/dbraw/zinc/21/40/38/204214038.db2.gz AJWMAMZFBFYXTJ-UHFFFAOYSA-N 0 0 390.823 4.084 50 5 GIBARN Cc1c(Cl)cccc1NC=C1N=C(C=Cc2cccc([N+](=O)[O-])c2)OC1=O ZINC000006200584 204170581 /nfs/dbraw/zinc/17/05/81/204170581.db2.gz ZGZNIMCKPJYOAK-WRFVMNGSSA-N 0 0 383.791 4.479 50 5 GIBARN CCSc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000006232348 204171901 /nfs/dbraw/zinc/17/19/01/204171901.db2.gz HIUJJLBCRMYRQC-UHFFFAOYSA-N 0 0 376.419 4.071 50 5 GIBARN CC(C)c1cc(C(C)C)c(S(=O)(=O)n2cnc([N+](=O)[O-])c2)c(C(C)C)c1 ZINC000006489920 204179382 /nfs/dbraw/zinc/17/93/82/204179382.db2.gz ZYQZZMOLYGORFJ-UHFFFAOYSA-N 0 0 379.482 4.399 50 5 GIBARN CCOc1ccccc1C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000006657267 204188651 /nfs/dbraw/zinc/18/86/51/204188651.db2.gz MMQDJRRUHRRLGO-UHFFFAOYSA-N 0 0 383.429 4.293 50 5 GIBARN COc1ccc(CC(=O)Nc2ccc3c(c2)oc2c(F)cccc2c3=O)cc1 ZINC000006661089 204190117 /nfs/dbraw/zinc/19/01/17/204190117.db2.gz GJMSRBHRSIOQOD-UHFFFAOYSA-N 0 0 377.371 4.275 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2cc(Cl)ccc21)NCc1ccc(F)cc1 ZINC000006720500 204194718 /nfs/dbraw/zinc/19/47/18/204194718.db2.gz LQLHLNJYXNMIIL-UHFFFAOYSA-N 0 0 394.833 4.264 50 5 GIBARN C[C@@H](Sc1nc2ccccc2n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006929886 204225216 /nfs/dbraw/zinc/22/52/16/204225216.db2.gz MWVZLBXDWBFCCE-LLVKDONJSA-N 0 0 381.417 4.385 50 5 GIBARN C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000008744856 204287309 /nfs/dbraw/zinc/28/73/09/204287309.db2.gz DECAIURUMVPOCG-GFCCVEGCSA-N 0 0 393.428 4.283 50 5 GIBARN CC(=O)c1ccc(OCCCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008938783 204293540 /nfs/dbraw/zinc/29/35/40/204293540.db2.gz GTUIRNVIIDTCHC-HNNXBMFYSA-N 0 0 384.432 4.176 50 5 GIBARN O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000008162038 204263900 /nfs/dbraw/zinc/26/39/00/204263900.db2.gz XIHLUDUBJQJTKR-UHFFFAOYSA-N 0 0 378.384 4.305 50 5 GIBARN COc1ccc(C(C)(C)C)cc1Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000008177977 204264469 /nfs/dbraw/zinc/26/44/69/204264469.db2.gz POVDTVZGIANGFN-UHFFFAOYSA-N 0 0 378.450 4.048 50 5 GIBARN O=C(OCc1cccc2cccnc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000011388728 204345467 /nfs/dbraw/zinc/34/54/67/204345467.db2.gz BFVPYTQMLRFCRA-UHFFFAOYSA-N 0 0 377.400 4.100 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 ZINC000011620906 204348382 /nfs/dbraw/zinc/34/83/82/204348382.db2.gz KLEHYYUJJOGATM-UHFFFAOYSA-N 0 0 388.855 4.207 50 5 GIBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cc1ccccc1 ZINC000012042228 204369200 /nfs/dbraw/zinc/36/92/00/204369200.db2.gz NALUCVNFJNVICW-UHFFFAOYSA-N 0 0 392.411 4.455 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1OCCOc1ccccc1 ZINC000012137683 204373594 /nfs/dbraw/zinc/37/35/94/204373594.db2.gz SBXDGNJFZVDZNT-UHFFFAOYSA-N 0 0 378.384 4.305 50 5 GIBARN Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CCC(CCc2ccccc2)CC1 ZINC000011155064 204343425 /nfs/dbraw/zinc/34/34/25/204343425.db2.gz CGNXLJVRWOELDK-UHFFFAOYSA-N 0 0 381.476 4.187 50 5 GIBARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cccc([N+](=O)[O-])c1 ZINC000012757739 204443673 /nfs/dbraw/zinc/44/36/73/204443673.db2.gz BRWRAKFGWHRZIF-UHFFFAOYSA-N 0 0 379.397 4.395 50 5 GIBARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cs2)cc1 ZINC000012801443 204450773 /nfs/dbraw/zinc/45/07/73/204450773.db2.gz ADEMPKQDBRUZCD-UHFFFAOYSA-N 0 0 387.392 4.330 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(OCc2cscn2)c1 ZINC000012866705 204458957 /nfs/dbraw/zinc/45/89/57/204458957.db2.gz UONCNIJXYBZACH-AWEZNQCLSA-N 0 0 397.456 4.464 50 5 GIBARN Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]1[N+](=O)[O-] ZINC000013142904 204482419 /nfs/dbraw/zinc/48/24/19/204482419.db2.gz BYFACTYMSQYNAL-IYWMVGAKSA-N 0 0 383.448 4.006 50 5 GIBARN Cc1ccn2c(=O)cc(COc3ccc([N+](=O)[O-])cc3-c3cccs3)nc2c1 ZINC000014093989 204522763 /nfs/dbraw/zinc/52/27/63/204522763.db2.gz BAFMYMCZQVPZLY-UHFFFAOYSA-N 0 0 393.424 4.219 50 5 GIBARN CCOc1cc(C(=O)Nc2ccc3nc(C)sc3c2)c([N+](=O)[O-])cc1OC ZINC000018080846 204615205 /nfs/dbraw/zinc/61/52/05/204615205.db2.gz HOOAQOBRQGGQED-UHFFFAOYSA-N 0 0 387.417 4.173 50 5 GIBARN CCOC(=O)c1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(N)=O)cc1 ZINC000017130871 204608610 /nfs/dbraw/zinc/60/86/10/204608610.db2.gz BKKWWYULCYQJRR-LVWGJNHUSA-N 0 0 386.407 4.094 50 5 GIBARN O=C(Nc1ccc(F)cc1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177447 204704996 /nfs/dbraw/zinc/70/49/96/204704996.db2.gz BHUNUGMOWQFCBN-UHFFFAOYSA-N 0 0 384.411 4.108 50 5 GIBARN Cn1cnc([N+](=O)[O-])c1Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 ZINC000024828703 204825626 /nfs/dbraw/zinc/82/56/26/204825626.db2.gz ZNBRXNMFWQGMPM-UHFFFAOYSA-N 0 0 380.282 4.327 50 5 GIBARN COc1cc(Cl)c(NC(=O)CCCNc2ccccc2[N+](=O)[O-])cc1OC ZINC000032883047 204926159 /nfs/dbraw/zinc/92/61/59/204926159.db2.gz BSJASQQYDUANOG-UHFFFAOYSA-N 0 0 393.827 4.096 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000031311982 204902318 /nfs/dbraw/zinc/90/23/18/204902318.db2.gz VDOUKPXRWUTODT-UHFFFAOYSA-N 0 0 394.402 4.172 50 5 GIBARN Cc1c(C(=O)NC2CC2)nn(-c2ccc(C)cc2)c1Oc1ccccc1[N+](=O)[O-] ZINC000036009235 205001681 /nfs/dbraw/zinc/00/16/81/205001681.db2.gz KXHYBWSYIFZGBG-UHFFFAOYSA-N 0 0 392.415 4.082 50 5 GIBARN Cc1ccc(C)c(Oc2ccc(CNC(=O)Cc3ccccc3[N+](=O)[O-])cn2)c1 ZINC000036390902 205016862 /nfs/dbraw/zinc/01/68/62/205016862.db2.gz LZTGJGINBAIXSS-UHFFFAOYSA-N 0 0 391.427 4.258 50 5 GIBARN O=C(Nc1cccc(Cn2cccn2)c1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000040074413 205049807 /nfs/dbraw/zinc/04/98/07/205049807.db2.gz ALDACINQFYGLRB-UHFFFAOYSA-N 0 0 378.413 4.307 50 5 GIBARN Cc1nccn1C[C@@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000048362041 205121572 /nfs/dbraw/zinc/12/15/72/205121572.db2.gz HSFKHFMEXSLCMO-HNNXBMFYSA-N 0 0 378.432 4.079 50 5 GIBARN O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)c1ccc([N+](=O)[O-])o1 ZINC000058343180 205173594 /nfs/dbraw/zinc/17/35/94/205173594.db2.gz HYSJULJYYZMLRL-UHFFFAOYSA-N 0 0 398.396 4.363 50 5 GIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cc2ccccc2nc1Cl ZINC000064819655 205196470 /nfs/dbraw/zinc/19/64/70/205196470.db2.gz XCTXXYICJUDRSB-IBGZPJMESA-N 0 0 396.790 4.036 50 5 GIBARN Cc1nn(C)c(C)c1[C@@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785132 205297775 /nfs/dbraw/zinc/29/77/75/205297775.db2.gz GRVKQXZVPPKUES-FQEVSTJZSA-N 0 0 391.431 4.006 50 5 GIBARN CCOP(=O)(OCC)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000003213951 205724753 /nfs/dbraw/zinc/72/47/53/205724753.db2.gz BKKXRVGCZAAGEO-SFHVURJKSA-N 0 0 392.348 4.290 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 ZINC000004273187 205743459 /nfs/dbraw/zinc/74/34/59/205743459.db2.gz PGDPAYPJEGJYDT-UHFFFAOYSA-N 0 0 398.375 4.179 50 5 GIBARN Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270759 205765001 /nfs/dbraw/zinc/76/50/01/205765001.db2.gz YWAZSNRWALMERN-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cccc1[N+](=O)[O-] ZINC000012774452 205879724 /nfs/dbraw/zinc/87/97/24/205879724.db2.gz RAGXCFMAWGVBTL-UHFFFAOYSA-N 0 0 381.413 4.214 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)nc1 ZINC000030521003 206079280 /nfs/dbraw/zinc/07/92/80/206079280.db2.gz XNZFSJZPUJBZIO-UHFFFAOYSA-N 0 0 398.463 4.180 50 5 GIBARN O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1cccc(O)c1 ZINC000033414240 206098661 /nfs/dbraw/zinc/09/86/61/206098661.db2.gz BWVWHGCAQNBCLQ-SEYXRHQNSA-N 0 0 385.379 4.170 50 5 GIBARN COc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br ZINC000032764488 206094900 /nfs/dbraw/zinc/09/49/00/206094900.db2.gz STRMOCKNEGYSRJ-UHFFFAOYSA-N 0 0 393.237 4.246 50 5 GIBARN O=C(/C=C\c1ccc2c(c1)OCO2)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000033288796 206095732 /nfs/dbraw/zinc/09/57/32/206095732.db2.gz TVVSVIRQZZDPTJ-WAPJZHGLSA-N 0 0 395.396 4.099 50 5 GIBARN COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 ZINC000000687026 220453648 /nfs/dbraw/zinc/45/36/48/220453648.db2.gz KONHBOXXPCOFOU-SNVBAGLBSA-N 0 0 388.445 4.128 50 5 GIBARN CC(=O)c1ccc(N2CCC(N3c4ccccc4C[C@@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000040135254 136153762 /nfs/dbraw/zinc/15/37/62/136153762.db2.gz KYDANKKVBMSBCI-HNNXBMFYSA-N 0 0 379.460 4.217 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCC(OCc3ccccc3)CC2)c(OC(F)F)c1 ZINC000096003754 136183233 /nfs/dbraw/zinc/18/32/33/136183233.db2.gz YXOYQLYBQWOZSZ-UHFFFAOYSA-N 0 0 378.375 4.382 50 5 GIBARN Cc1c(Cl)c(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc12 ZINC000020685028 136202885 /nfs/dbraw/zinc/20/28/85/136202885.db2.gz WJVDGGCUNKLBSU-UHFFFAOYSA-N 0 0 396.878 4.427 50 5 GIBARN O=C(Nc1cc2cccc([N+](=O)[O-])c2oc1=O)c1ccc(Cl)cc1Cl ZINC000001510881 570254132 /nfs/dbraw/zinc/25/41/32/570254132.db2.gz JKICUPDLGXYNRM-UHFFFAOYSA-N 0 0 379.155 4.260 50 5 GIBARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000012861224 570268223 /nfs/dbraw/zinc/26/82/23/570268223.db2.gz YOUNWIVMJOCZDJ-UHFFFAOYSA-N 0 0 391.431 4.140 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012917969 570293530 /nfs/dbraw/zinc/29/35/30/570293530.db2.gz BWNFULYZHDUKLP-UHFFFAOYSA-N 0 0 380.379 4.051 50 5 GIBARN O=c1c2ccccc2nc(/C=C\c2ccccc2[N+](=O)[O-])n1-c1ccccc1O ZINC000004828796 570295587 /nfs/dbraw/zinc/29/55/87/570295587.db2.gz GIFOXMIJOPYFEV-YPKPFQOOSA-N 0 0 385.379 4.170 50 5 GIBARN Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c12 ZINC000012947006 570317271 /nfs/dbraw/zinc/31/72/71/570317271.db2.gz ZDXOJTHWARJVLI-UHFFFAOYSA-N 0 0 378.344 4.260 50 5 GIBARN O=c1cc(C(F)(F)F)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2o1 ZINC000006251078 570350009 /nfs/dbraw/zinc/35/00/09/570350009.db2.gz GZRBRPIECWHIKU-UHFFFAOYSA-N 0 0 396.233 4.421 50 5 GIBARN Cc1ccc(NC(=O)[C@H](OC(=O)[C@@H]2CC=CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006290916 570363693 /nfs/dbraw/zinc/36/36/93/570363693.db2.gz WUFSWNXTXVOHCA-YLJYHZDGSA-N 0 0 394.427 4.483 50 5 GIBARN O=[N+]([O-])c1ccc(OC[C@@H](O)COc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000012997099 570410800 /nfs/dbraw/zinc/41/08/00/570410800.db2.gz WUCFUIATAZMXGO-LLVKDONJSA-N 0 0 392.622 4.374 50 5 GIBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 ZINC000013018504 570419144 /nfs/dbraw/zinc/41/91/44/570419144.db2.gz LAYNKYOIFQMCLO-UHFFFAOYSA-N 0 0 398.806 4.103 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2cc(C)n(C)c2C)cc1 ZINC000005143040 570426304 /nfs/dbraw/zinc/42/63/04/570426304.db2.gz HCSFKAWVHOUNAA-UHFFFAOYSA-N 0 0 394.427 4.487 50 5 GIBARN O=c1c2ccccc2oc2nc(-c3ccccc3)n(Cc3ccccc3)c(=O)c12 ZINC000002237980 570450383 /nfs/dbraw/zinc/45/03/83/570450383.db2.gz HQOHXUWCUYTQHR-UHFFFAOYSA-N 0 0 380.403 4.218 50 5 GIBARN O=C(CSc1nnc(-c2cccs2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000006508426 570460955 /nfs/dbraw/zinc/46/09/55/570460955.db2.gz HIEZLDZKDMSADS-UHFFFAOYSA-N 0 0 396.837 4.091 50 5 GIBARN Cc1cccc([C@H]2CCCCN2c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1C ZINC000072307630 570524600 /nfs/dbraw/zinc/52/46/00/570524600.db2.gz QOHOUPCLSLFOOI-GOSISDBHSA-N 0 0 388.489 4.347 50 5 GIBARN CC(C)NS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000006790643 570596477 /nfs/dbraw/zinc/59/64/77/570596477.db2.gz NUFUVNIJJKTOAK-LBPRGKRZSA-N 0 0 397.884 4.108 50 5 GIBARN CCn1c2ccccc2nc1SCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] ZINC000004289610 570624939 /nfs/dbraw/zinc/62/49/39/570624939.db2.gz CTFJPVQPILKDCG-UHFFFAOYSA-N 0 0 384.461 4.312 50 5 GIBARN C[C@@H](NC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc2ccccc21 ZINC000015026442 570713593 /nfs/dbraw/zinc/71/35/93/570713593.db2.gz OJSNVNNUDHNZJL-ATWMFIQVSA-N 0 0 390.395 4.367 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000000935638 570726293 /nfs/dbraw/zinc/72/62/93/570726293.db2.gz NDDVIMWZIJOWHC-LBPRGKRZSA-N 0 0 378.812 4.280 50 5 GIBARN O=C(COc1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000957918 570737063 /nfs/dbraw/zinc/73/70/63/570737063.db2.gz RZNLJNOKAMYUOH-UHFFFAOYSA-N 0 0 389.820 4.389 50 5 GIBARN Cc1ccc(Cn2cnc3scc(-c4cccc([N+](=O)[O-])c4)c3c2=O)cc1 ZINC000000951897 570737502 /nfs/dbraw/zinc/73/75/02/570737502.db2.gz PYUMEQOMTFAXEH-UHFFFAOYSA-N 0 0 377.425 4.390 50 5 GIBARN O=C(COC(=O)c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1 ZINC000000971805 570740514 /nfs/dbraw/zinc/74/05/14/570740514.db2.gz ZQNSEUFPJSNJCZ-UHFFFAOYSA-N 0 0 391.379 4.214 50 5 GIBARN CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000001085271 570751726 /nfs/dbraw/zinc/75/17/26/570751726.db2.gz MMGUHWOJVQOOFZ-UHFFFAOYSA-N 0 0 379.372 4.456 50 5 GIBARN O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCC3)c1cccc([N+](=O)[O-])c1 ZINC000001119030 570753809 /nfs/dbraw/zinc/75/38/09/570753809.db2.gz KSFRKXNJRWOJDZ-UHFFFAOYSA-N 0 0 399.786 4.105 50 5 GIBARN CCc1cc(I)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001114135 570753963 /nfs/dbraw/zinc/75/39/63/570753963.db2.gz NDPINPZPLVRTCM-UHFFFAOYSA-N 0 0 396.184 4.014 50 5 GIBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 ZINC000001116360 570754008 /nfs/dbraw/zinc/75/40/08/570754008.db2.gz LIZJXHCWCYYFRD-UHFFFAOYSA-N 0 0 381.413 4.469 50 5 GIBARN O=C(Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001125505 570754574 /nfs/dbraw/zinc/75/45/74/570754574.db2.gz RSKWFCJZHBELHS-UHFFFAOYSA-N 0 0 379.347 4.239 50 5 GIBARN COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccccc1F ZINC000001124514 570755960 /nfs/dbraw/zinc/75/59/60/570755960.db2.gz VBFCGBNPEQIVST-VOTSOKGWSA-N 0 0 382.185 4.423 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000001134681 570756307 /nfs/dbraw/zinc/75/63/07/570756307.db2.gz TWUMXCZVSORFSL-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN COc1ccccc1Oc1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000001135431 570756519 /nfs/dbraw/zinc/75/65/19/570756519.db2.gz FDFIPSWAFNLLOD-UHFFFAOYSA-N 0 0 390.351 4.196 50 5 GIBARN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000001133230 570756527 /nfs/dbraw/zinc/75/65/27/570756527.db2.gz MEYNRVSZIGWYRU-UHFFFAOYSA-N 0 0 387.823 4.127 50 5 GIBARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000001137419 570756652 /nfs/dbraw/zinc/75/66/52/570756652.db2.gz NUKWIWHEJQUEOW-UHFFFAOYSA-N 0 0 391.811 4.248 50 5 GIBARN Cc1cc(Cl)ccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000001153372 570757123 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O=c1c2c3nc4ccccc4nc3n(Cc3ccccc3)c2ncn1C1CCCC1 ZINC000002253157 203932217 /nfs/dbraw/zinc/93/22/17/203932217.db2.gz MMFCKLLZGWITNS-UHFFFAOYSA-N 0 0 395.466 4.458 50 5 GIBARN COc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000003130033 203987078 /nfs/dbraw/zinc/98/70/78/203987078.db2.gz BQCFEJSARDJQFD-UHFFFAOYSA-N 0 0 393.355 4.490 50 5 GIBARN Cc1cc(N2C(=O)CS[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1Br ZINC000002485129 203947031 /nfs/dbraw/zinc/94/70/31/203947031.db2.gz MGWMWPOEYRJJDM-MRXNPFEDSA-N 0 0 393.262 4.444 50 5 GIBARN COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=C2)N(C)c2ccc([N+](=O)[O-])cc2C1(C)C ZINC000004321273 204038192 /nfs/dbraw/zinc/03/81/92/204038192.db2.gz KOOHCYNKZSLPNL-HXUWFJFHSA-N 0 0 397.387 4.041 50 5 GIBARN COC(=O)c1cc(C(=O)OCc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 ZINC000003359389 204001296 /nfs/dbraw/zinc/00/12/96/204001296.db2.gz HYLIQWROWZUARC-UHFFFAOYSA-N 0 0 384.171 4.045 50 5 GIBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2ccccc2c1 ZINC000003370755 204003097 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O=C1OC(/C=C\c2cccc([N+](=O)[O-])c2)=N/C1=C/c1cccc(Br)c1 ZINC000004590051 204055943 /nfs/dbraw/zinc/05/59/43/204055943.db2.gz NLMMKIPBGNLSAH-ZUNDVZSGSA-N 0 0 399.200 4.367 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1 ZINC000004663319 204061268 /nfs/dbraw/zinc/06/12/68/204061268.db2.gz WKCRCRDCFWWSRF-RUDMXATFSA-N 0 0 375.837 4.083 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000005078226 204109796 /nfs/dbraw/zinc/10/97/96/204109796.db2.gz ZFWXVUNNAYMDES-AWEZNQCLSA-N 0 0 398.177 4.172 50 5 GIBARN CC1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 ZINC000005125893 204112136 /nfs/dbraw/zinc/11/21/36/204112136.db2.gz KRXNGUYFLDYKLI-MHWRWJLKSA-N 0 0 386.205 4.163 50 5 GIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1cccc(C(F)(F)F)c1 ZINC000005193090 204118485 /nfs/dbraw/zinc/11/84/85/204118485.db2.gz MYESFVDNBGOLBV-UHFFFAOYSA-N 0 0 394.334 4.384 50 5 GIBARN CCNc1cc(Nc2ccc(Br)cc2)c([N+](=O)[O-])c2nonc21 ZINC000004949617 204095996 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Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000030530459 206074692 /nfs/dbraw/zinc/07/46/92/206074692.db2.gz DKULVDZVLRLHPE-UHFFFAOYSA-N 0 0 376.434 4.025 50 5 GIBARN CC(C)(C)c1ccc(/C=C\C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000033455852 206097518 /nfs/dbraw/zinc/09/75/18/206097518.db2.gz FYYGSYZWKGUACA-MLPAPPSSSA-N 0 0 393.487 4.254 50 5 GIBARN CC(C)c1ccc([C@H](C)Nc2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 ZINC000032860104 206094604 /nfs/dbraw/zinc/09/46/04/206094604.db2.gz WPLJNMHAIWLSPR-INIZCTEOSA-N 0 0 397.475 4.364 50 5 GIBARN COc1cc(CSc2nnc(-c3ccco3)o2)c([N+](=O)[O-])cc1OC(F)F ZINC000014019297 221297302 /nfs/dbraw/zinc/29/73/02/221297302.db2.gz HLAXIKCSSAQGSN-UHFFFAOYSA-N 0 0 399.331 4.140 50 5 GIBARN O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCCc2c(F)cc(F)cc21 ZINC000040090396 132395084 /nfs/dbraw/zinc/39/50/84/132395084.db2.gz ZDFBUVWWDVGREI-UHFFFAOYSA-N 0 0 397.175 4.229 50 5 GIBARN O=C(Nc1ccccc1)c1ccc(COC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000006054101 570230146 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O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000830197 570381451 /nfs/dbraw/zinc/38/14/51/570381451.db2.gz QAWKQUPFMJSWLJ-UHFFFAOYSA-N 0 0 393.790 4.234 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1C ZINC000024759864 570391918 /nfs/dbraw/zinc/39/19/18/570391918.db2.gz NHMFVAZREUSPLN-UHFFFAOYSA-N 0 0 392.337 4.219 50 5 GIBARN COc1ccc(-c2nnc(SCc3c(Cl)cccc3[N+](=O)[O-])n2C)cc1 ZINC000005065642 570409250 /nfs/dbraw/zinc/40/92/50/570409250.db2.gz LHRFJBCDBDAQSI-UHFFFAOYSA-N 0 0 390.852 4.345 50 5 GIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035673110 570412210 /nfs/dbraw/zinc/41/22/10/570412210.db2.gz MWMYCSYHTXZHRV-UHFFFAOYSA-N 0 0 385.807 4.409 50 5 GIBARN CCCOc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 ZINC000001758957 570422260 /nfs/dbraw/zinc/42/22/60/570422260.db2.gz NNYHFGDDTABXKM-YVLHZVERSA-N 0 0 386.791 4.382 50 5 GIBARN CCOc1ccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000001773228 570422544 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GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000001135474 570756512 /nfs/dbraw/zinc/75/65/12/570756512.db2.gz WVVPXVOZKXLWHD-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001154654 570757444 /nfs/dbraw/zinc/75/74/44/570757444.db2.gz AVCGCINTHRCDDE-UHFFFAOYSA-N 0 0 388.836 4.137 50 5 GIBARN O=Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(Br)c1 ZINC000001158512 570757917 /nfs/dbraw/zinc/75/79/17/570757917.db2.gz LNKDAQUULVXONP-UHFFFAOYSA-N 0 0 384.569 4.042 50 5 GIBARN O=[N+]([O-])c1ccc(/C=C(/[C@@H](O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000096558559 570759189 /nfs/dbraw/zinc/75/91/89/570759189.db2.gz UIDSFUGZWKBQGX-UGIZUQJLSA-N 0 0 391.214 4.225 50 5 GIBARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000001171904 570787038 /nfs/dbraw/zinc/78/70/38/570787038.db2.gz RDVWTSMIHJDVNN-UHFFFAOYSA-N 0 0 393.852 4.162 50 5 GIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000001174584 570787544 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GIBARN Cc1ccc(-c2noc(-c3ccc(NC[C@H]4CCCO4)c([N+](=O)[O-])c3)n2)cc1 ZINC000007499447 570857426 /nfs/dbraw/zinc/85/74/26/570857426.db2.gz YAIAOSMCJKDGLK-MRXNPFEDSA-N 0 0 380.404 4.211 50 5 GIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000102783424 570863563 /nfs/dbraw/zinc/86/35/63/570863563.db2.gz ZAUZYBMTXHYFKV-CALCHBBNSA-N 0 0 385.464 4.045 50 5 GIBARN C[C@@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000012564337 570869777 /nfs/dbraw/zinc/86/97/77/570869777.db2.gz ZAQLJGOLGPKHGQ-GFCCVEGCSA-N 0 0 396.369 4.086 50 5 GIBARN CCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccc(C)cc1 ZINC000103198479 570879757 /nfs/dbraw/zinc/87/97/57/570879757.db2.gz XZZADESCNZTJLM-UHFFFAOYSA-N 0 0 394.431 4.048 50 5 GIBARN COc1ccc(OC)c2[nH]c(SCc3cc([N+](=O)[O-])ccc3Cl)nc21 ZINC000015108569 570881678 /nfs/dbraw/zinc/88/16/78/570881678.db2.gz BQSVTCQEGCVWFW-UHFFFAOYSA-N 0 0 379.825 4.434 50 5 GIBARN O=C(NCCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 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GIBARN Cc1cc(NC(=O)c2ccc(Br)o2)nc2c3ccccc3oc(=O)c12 ZINC000004108186 817504101 /nfs/dbraw/zinc/50/41/01/817504101.db2.gz WZQDRRNSESAPTF-UHFFFAOYSA-N 0 0 399.200 4.257 50 5 GIBARN CCN(CC)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004122600 817505784 /nfs/dbraw/zinc/50/57/84/817505784.db2.gz JUJRDPAPGZZBIZ-UHFFFAOYSA-N 0 0 382.464 4.294 50 5 GIBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1[N+](=O)[O-] ZINC000004176139 817508742 /nfs/dbraw/zinc/50/87/42/817508742.db2.gz SWLHONGXGWPSCD-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000012998744 818199993 /nfs/dbraw/zinc/19/99/93/818199993.db2.gz YNQPOJLTDVTUBO-NRFANRHFSA-N 0 0 397.475 4.468 50 5 GIBARN Cc1ccc(C)c(OC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1C ZINC000013135407 818202957 /nfs/dbraw/zinc/20/29/57/818202957.db2.gz WSXVNAKSJQRMPF-UHFFFAOYSA-N 0 0 398.444 4.019 50 5 GIBARN Cc1c2ccccc2nc2c(F)c(NCCCN3CCOCC3)c(F)c(F)c12 ZINC000020059289 818612641 /nfs/dbraw/zinc/61/26/41/818612641.db2.gz HGVWGASRHQZANF-UHFFFAOYSA-N 0 0 389.421 4.248 50 5 GIBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2onc(-c3ccccc3)c21 ZINC000020605858 818627442 /nfs/dbraw/zinc/62/74/42/818627442.db2.gz UYARYWOAXYHJGS-UHFFFAOYSA-N 0 0 375.340 4.252 50 5 GIBARN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021091510 818652268 /nfs/dbraw/zinc/65/22/68/818652268.db2.gz NXNSAKZNPMCYKM-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN Cc1ccc(CCC2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000022068523 818769466 /nfs/dbraw/zinc/76/94/66/818769466.db2.gz UQJHFOYIGKPDKU-UHFFFAOYSA-N 0 0 382.460 4.153 50 5 GIBARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)s1 ZINC000023053336 818893376 /nfs/dbraw/zinc/89/33/76/818893376.db2.gz VBUPWADDNUHZKY-UVTDQMKNSA-N 0 0 386.820 4.436 50 5 GIBARN O=C1[C@H]2CCCN2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)c(Cl)c1 ZINC000037351522 821091296 /nfs/dbraw/zinc/09/12/96/821091296.db2.gz UYNOVSFDWHVOIV-SJORKVTESA-N 0 0 392.242 4.411 50 5 GIBARN CC(C)(C)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(Cc2ccccc2)n1 ZINC000040052603 821128728 /nfs/dbraw/zinc/12/87/28/821128728.db2.gz GTRFCBJOBBIHKS-UHFFFAOYSA-N 0 0 378.432 4.389 50 5 GIBARN CCn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1C ZINC000040127758 821143908 /nfs/dbraw/zinc/14/39/08/821143908.db2.gz LCSLGZRPJIMSPD-UHFFFAOYSA-N 0 0 384.461 4.353 50 5 GIBARN O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1C1CCCCC1 ZINC000055599597 822985650 /nfs/dbraw/zinc/98/56/50/822985650.db2.gz NYJUQLWWFIWNQB-IBGZPJMESA-N 0 0 385.508 4.383 50 5 GIBARN Cc1c(C(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000055645723 822991685 /nfs/dbraw/zinc/99/16/85/822991685.db2.gz WBEDSJACNAHGJC-MRXNPFEDSA-N 0 0 391.427 4.368 50 5 GIBARN Cc1nc(N2C[C@@H](c3cccc(C(F)(F)F)c3)OC[C@H]2C)ccc1[N+](=O)[O-] ZINC000328596406 203760199 /nfs/dbraw/zinc/76/01/99/203760199.db2.gz NNHJDLNULNRCDN-BZNIZROVSA-N 0 0 381.354 4.283 50 5 GIBARN Cc1cc(C2=N/C(=C/C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000096935654 203834822 /nfs/dbraw/zinc/83/48/22/203834822.db2.gz MCUIVCILTKWJSR-LZYBPNLTSA-N 0 0 396.786 4.220 50 5 GIBARN COc1ccc(-c2c3c(nc(C)c2C(C)=O)sc2c3ncn3ncnc23)cc1 ZINC000000643097 203844019 /nfs/dbraw/zinc/84/40/19/203844019.db2.gz PHSNSPGNIGVJOA-UHFFFAOYSA-N 0 0 389.440 4.074 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000000780700 203851480 /nfs/dbraw/zinc/85/14/80/203851480.db2.gz AMAJQEBTPROGLH-UHFFFAOYSA-N 0 0 375.812 4.109 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001206391 203896875 /nfs/dbraw/zinc/89/68/75/203896875.db2.gz FNRVRILUYVMHEO-UHFFFAOYSA-N 0 0 389.367 4.421 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Oc1cccc(Br)c1 ZINC000000934668 203865816 /nfs/dbraw/zinc/86/58/16/203865816.db2.gz JXWSNHYPEGXEPV-LLVKDONJSA-N 0 0 379.210 4.072 50 5 GIBARN O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001068258 203878969 /nfs/dbraw/zinc/87/89/69/203878969.db2.gz CCACFHBQEJMMNK-LFIBNONCSA-N 0 0 378.315 4.338 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Cl)cc1Br ZINC000001131820 203887623 /nfs/dbraw/zinc/88/76/23/203887623.db2.gz RTCWGEOSPJHBIC-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000010327875 203906081 /nfs/dbraw/zinc/90/60/81/203906081.db2.gz CDJCDBDQIUJRQX-UHFFFAOYSA-N 0 0 391.383 4.273 50 5 GIBARN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001934226 203923041 /nfs/dbraw/zinc/92/30/41/203923041.db2.gz UFAVMHWOBCHQPK-UHFFFAOYSA-N 0 0 376.796 4.167 50 5 GIBARN O=c1c2c3nc4ccccc4nc3n(-c3ccccc3)c2ncn1C1CCCC1 ZINC000002246332 203933198 /nfs/dbraw/zinc/93/31/98/203933198.db2.gz GSPJVPCQCCNCLR-UHFFFAOYSA-N 0 0 381.439 4.399 50 5 GIBARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O ZINC000002965397 203977575 /nfs/dbraw/zinc/97/75/75/203977575.db2.gz QSIWAEKWGVKGPW-KRWDZBQOSA-N 0 0 394.456 4.143 50 5 GIBARN Cc1ccc(C)c(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)c1 ZINC000003158271 203987849 /nfs/dbraw/zinc/98/78/49/203987849.db2.gz CNIPASHHWKDWOD-UHFFFAOYSA-N 0 0 391.339 4.074 50 5 GIBARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004392492 204043408 /nfs/dbraw/zinc/04/34/08/204043408.db2.gz DFTDIXKELSJZIR-UHFFFAOYSA-N 0 0 381.457 4.308 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000003601626 204015903 /nfs/dbraw/zinc/01/59/03/204015903.db2.gz WWRYCXJOVNDSAB-VIFPVBQESA-N 0 0 385.203 4.316 50 5 GIBARN Cc1ccccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004041252 204025229 /nfs/dbraw/zinc/02/52/29/204025229.db2.gz YHFGRQOFGBAYBJ-UHFFFAOYSA-N 0 0 393.237 4.463 50 5 GIBARN O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000004084222 204026012 /nfs/dbraw/zinc/02/60/12/204026012.db2.gz GMOVORNYQNVRGP-UHFFFAOYSA-N 0 0 391.383 4.346 50 5 GIBARN Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1I ZINC000004117131 204028174 /nfs/dbraw/zinc/02/81/74/204028174.db2.gz WTZILAOZUFBMPT-UHFFFAOYSA-N 0 0 399.144 4.160 50 5 GIBARN CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000004125035 204029067 /nfs/dbraw/zinc/02/90/67/204029067.db2.gz MTHISACMMVTMHN-UHFFFAOYSA-N 0 0 396.491 4.015 50 5 GIBARN O=C(COc1ccc(Cl)cc1Br)Nc1ccc([N+](=O)[O-])cc1 ZINC000004700052 204065841 /nfs/dbraw/zinc/06/58/41/204065841.db2.gz WMLRKFKDNWBYLG-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000004763672 204073894 /nfs/dbraw/zinc/07/38/94/204073894.db2.gz FHOUBEJOKBEVLO-QNGOZBTKSA-N 0 0 383.407 4.425 50 5 GIBARN CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cs1 ZINC000004815187 204078097 /nfs/dbraw/zinc/07/80/97/204078097.db2.gz GTKYGCDKXYMEJL-UHFFFAOYSA-N 0 0 396.428 4.237 50 5 GIBARN COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1[N+](=O)[O-] ZINC000004837116 204081326 /nfs/dbraw/zinc/08/13/26/204081326.db2.gz SNRKTIIMPOCLFS-WJDWOHSUSA-N 0 0 380.400 4.245 50 5 GIBARN Cc1oc(C(C)(C)C)cc1C(=O)NCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000004844928 204081470 /nfs/dbraw/zinc/08/14/70/204081470.db2.gz SXNVNGAIGMPREX-UHFFFAOYSA-N 0 0 379.844 4.289 50 5 GIBARN Cc1cccnc1NC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004865783 204084702 /nfs/dbraw/zinc/08/47/02/204084702.db2.gz ROXKLQVNRURSHH-UHFFFAOYSA-N 0 0 376.416 4.205 50 5 GIBARN CC1CCN(c2ccc(C(=O)Nc3ccc(F)cc3F)cc2[N+](=O)[O-])CC1 ZINC000004902759 204088271 /nfs/dbraw/zinc/08/82/71/204088271.db2.gz KHBKBGKIZXMWRU-UHFFFAOYSA-N 0 0 375.375 4.362 50 5 GIBARN CC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004895885 204088547 /nfs/dbraw/zinc/08/85/47/204088547.db2.gz NDFBYFUUYQJIGE-UHFFFAOYSA-N 0 0 381.432 4.286 50 5 GIBARN COc1ccc(OC)c(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000004903675 204088724 /nfs/dbraw/zinc/08/87/24/204088724.db2.gz CIORGIWOMIGBQB-CQSZACIVSA-N 0 0 399.447 4.101 50 5 GIBARN CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000004913238 204091499 /nfs/dbraw/zinc/09/14/99/204091499.db2.gz KEMISNIEEGTGIH-KRWDZBQOSA-N 0 0 386.448 4.128 50 5 GIBARN COc1ccccc1Nc1nc(Nc2ccc(Cl)cc2)nc(N)c1[N+](=O)[O-] ZINC000005120243 204112272 /nfs/dbraw/zinc/11/22/72/204112272.db2.gz CHGFLRMLBUGXSO-UHFFFAOYSA-N 0 0 386.799 4.116 50 5 GIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000005156613 204115383 /nfs/dbraw/zinc/11/53/83/204115383.db2.gz WGXQOXBMTCYDBH-CQSZACIVSA-N 0 0 399.454 4.263 50 5 GIBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000005176207 204116734 /nfs/dbraw/zinc/11/67/34/204116734.db2.gz VODNUESHGDKDOW-UHFFFAOYSA-N 0 0 384.827 4.285 50 5 GIBARN Cc1ccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005177542 204116738 /nfs/dbraw/zinc/11/67/38/204116738.db2.gz SXXRKEJECJVHAG-UHFFFAOYSA-N 0 0 384.827 4.285 50 5 GIBARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1ccccc1[N+](=O)[O-] ZINC000005163098 204116921 /nfs/dbraw/zinc/11/69/21/204116921.db2.gz NQQFHFXSPQIZOT-UHFFFAOYSA-N 0 0 380.385 4.015 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000005185619 204117560 /nfs/dbraw/zinc/11/75/60/204117560.db2.gz BUAAHYLYLIHNPY-ZHZULCJRSA-N 0 0 387.395 4.004 50 5 GIBARN CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccccc1 ZINC000005354153 204128221 /nfs/dbraw/zinc/12/82/21/204128221.db2.gz SRQDERZQQWHXIC-UHFFFAOYSA-N 0 0 387.483 4.029 50 5 GIBARN O=C1C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)NC(=S)N1c1ccccc1 ZINC000005202927 204119548 /nfs/dbraw/zinc/11/95/48/204119548.db2.gz IIYXRGKYFJXJNY-ATVHPVEESA-N 0 0 391.408 4.117 50 5 GIBARN CC(C)Cn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(Cl)cc1 ZINC000005346878 204127438 /nfs/dbraw/zinc/12/74/38/204127438.db2.gz NOBRYZDATACEQJ-UHFFFAOYSA-N 0 0 393.874 4.225 50 5 GIBARN CC(C)C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1 ZINC000005020182 204103250 /nfs/dbraw/zinc/10/32/50/204103250.db2.gz WIXFJMAFTUTNRI-GNISGLHKSA-N 0 0 378.432 4.388 50 5 GIBARN CCNc1cc(Nc2ccc(C)c(Br)c2)c([N+](=O)[O-])c2nonc21 ZINC000005025020 204103478 /nfs/dbraw/zinc/10/34/78/204103478.db2.gz ADRSSJGSJYQPBA-UHFFFAOYSA-N 0 0 392.213 4.377 50 5 GIBARN CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccccc2)s1 ZINC000005937782 204158139 /nfs/dbraw/zinc/15/81/39/204158139.db2.gz NNCDIWLJWQUMMJ-UHFFFAOYSA-N 0 0 386.458 4.412 50 5 GIBARN Cc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c([N+](=O)[O-])n1 ZINC000005970435 204160332 /nfs/dbraw/zinc/16/03/32/204160332.db2.gz TVXMHERQYSTKMD-UHFFFAOYSA-N 0 0 379.372 4.108 50 5 GIBARN CN1c2ccc([N+](=O)[O-])cc2CC2(C(=O)CC(C)(C)CC2=O)[C@@H]1c1ccccc1 ZINC000005426788 204131952 /nfs/dbraw/zinc/13/19/52/204131952.db2.gz IOSPKTINBAPPOZ-NRFANRHFSA-N 0 0 392.455 4.273 50 5 GIBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCC(C)C)cc1 ZINC000005423121 204132304 /nfs/dbraw/zinc/13/23/04/204132304.db2.gz BKEFAOLCYUISFV-UHFFFAOYSA-N 0 0 387.483 4.270 50 5 GIBARN CCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cccc(C)c3nc21 ZINC000005478439 204134371 /nfs/dbraw/zinc/13/43/71/204134371.db2.gz GIFWMSYOJOLJMI-UHFFFAOYSA-N 0 0 389.415 4.463 50 5 GIBARN Cc1nc(COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cs1 ZINC000005710892 204147046 /nfs/dbraw/zinc/14/70/46/204147046.db2.gz MPDOJPQUPVKZOH-UHFFFAOYSA-N 0 0 375.450 4.097 50 5 GIBARN C[C@H](Sc1ccc2c(c1)OCCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006844858 204214453 /nfs/dbraw/zinc/21/44/53/204214453.db2.gz XYSQKFYESKWZMM-NSHDSACASA-N 0 0 385.401 4.269 50 5 GIBARN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1[N+](=O)[O-] ZINC000006235348 204171416 /nfs/dbraw/zinc/17/14/16/204171416.db2.gz SXVLSKNHLHFUKN-UHFFFAOYSA-N 0 0 397.412 4.182 50 5 GIBARN COc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccc(Cl)cc32)c1 ZINC000006720499 204194839 /nfs/dbraw/zinc/19/48/39/204194839.db2.gz BNPBZPKMBRMLBF-UHFFFAOYSA-N 0 0 392.842 4.455 50 5 GIBARN CC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000006905588 204222510 /nfs/dbraw/zinc/22/25/10/204222510.db2.gz QJOOUSQXMIMCFH-UHFFFAOYSA-N 0 0 397.416 4.321 50 5 GIBARN Cc1cccc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)c1 ZINC000006924304 204225049 /nfs/dbraw/zinc/22/50/49/204225049.db2.gz ACEBAQYMBLCBSQ-KDURUIRLSA-N 0 0 380.400 4.375 50 5 GIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000006946767 204226853 /nfs/dbraw/zinc/22/68/53/204226853.db2.gz PQPITBOVPVLDIR-JXMROGBWSA-N 0 0 385.763 4.055 50 5 GIBARN COc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1[N+](=O)[O-] ZINC000007781397 204249692 /nfs/dbraw/zinc/24/96/92/204249692.db2.gz MWPPZWXDQSMZHV-UHFFFAOYSA-N 0 0 376.166 4.083 50 5 GIBARN Cn1ccnc1SCc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 ZINC000008704136 204284931 /nfs/dbraw/zinc/28/49/31/204284931.db2.gz WZJMITINCHYZOX-UHFFFAOYSA-N 0 0 383.408 4.099 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000008986863 204295268 /nfs/dbraw/zinc/29/52/68/204295268.db2.gz VNLVFJBRTFZMSH-UHFFFAOYSA-N 0 0 399.815 4.168 50 5 GIBARN Cc1ccc2nc(NC(=O)CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)sc2c1 ZINC000008019198 204259259 /nfs/dbraw/zinc/25/92/59/204259259.db2.gz NEQLSXUNBKNVFN-UHFFFAOYSA-N 0 0 399.457 4.120 50 5 GIBARN Cc1cccc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)c1[N+](=O)[O-] ZINC000009426493 204311097 /nfs/dbraw/zinc/31/10/97/204311097.db2.gz SWVBVUNJARSEKS-UHFFFAOYSA-N 0 0 398.444 4.019 50 5 GIBARN COc1cc(NC(=O)CCCSc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000009476891 204312597 /nfs/dbraw/zinc/31/25/97/204312597.db2.gz MTOSKJKOBFMWFR-UHFFFAOYSA-N 0 0 376.434 4.123 50 5 GIBARN CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009462410 204313040 /nfs/dbraw/zinc/31/30/40/204313040.db2.gz SBSMDSRTVTYJRM-UHFFFAOYSA-N 0 0 393.443 4.187 50 5 GIBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010503802 204336041 /nfs/dbraw/zinc/33/60/41/204336041.db2.gz KQEAMSCCKRUEPY-LBPRGKRZSA-N 0 0 384.823 4.144 50 5 GIBARN CNc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000010990224 204341951 /nfs/dbraw/zinc/34/19/51/204341951.db2.gz BDSMKMPXDKDXSX-UHFFFAOYSA-N 0 0 376.416 4.047 50 5 GIBARN CC1CCN(c2ccc(C(=O)N3CCC[C@H]3c3cccnc3)cc2[N+](=O)[O-])CC1 ZINC000012645227 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COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000000668788 570286726 /nfs/dbraw/zinc/28/67/26/570286726.db2.gz WWXWTEUSDVMECC-UHFFFAOYSA-N 0 0 382.372 4.336 50 5 GIBARN COc1cccc2cc(-c3csc(NC(=O)c4ccc([N+](=O)[O-])o4)n3)oc21 ZINC000010747788 570290309 /nfs/dbraw/zinc/29/03/09/570290309.db2.gz SPPKPKFVLQALOT-UHFFFAOYSA-N 0 0 385.357 4.318 50 5 GIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000012912969 570292326 /nfs/dbraw/zinc/29/23/26/570292326.db2.gz IEEJOHBUGHPYOD-HXUWFJFHSA-N 0 0 383.448 4.159 50 5 GIBARN COc1cc(COC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(F)F ZINC000024770701 570292898 /nfs/dbraw/zinc/29/28/98/570292898.db2.gz SQJUXJXRIDONNE-UHFFFAOYSA-N 0 0 387.722 4.215 50 5 GIBARN Cc1ccc(-c2nc(CN3CCN(c4ccccc4[N+](=O)[O-])CC3)co2)c(C)c1 ZINC000024831413 570310239 /nfs/dbraw/zinc/31/02/39/570310239.db2.gz KEPDYDLCKLSNOY-UHFFFAOYSA-N 0 0 392.459 4.189 50 5 GIBARN C[C@@H]1CCO[P@@](=O)([C@@H](Nc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)O1 ZINC000016157483 570318129 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C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000095462442 208188748 /nfs/dbraw/zinc/18/87/48/208188748.db2.gz RZALDJVAECHQHV-ZDUSSCGKSA-N 0 0 381.388 4.254 50 5 GIBARN COc1ccc(Oc2ccc(CN(C)Cc3cccnc3)cc2[N+](=O)[O-])cc1 ZINC000095468602 208190915 /nfs/dbraw/zinc/19/09/15/208190915.db2.gz BJZQZHHYTNGMHR-UHFFFAOYSA-N 0 0 379.416 4.423 50 5 GIBARN CC[C@H](C)[C@H](NC(=O)c1cccs1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096277765 208301273 /nfs/dbraw/zinc/30/12/73/208301273.db2.gz SJYCTDJLIJZKGK-NHYWBVRUSA-N 0 0 386.433 4.224 50 5 GIBARN CC[C@@H](C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000096276222 208301367 /nfs/dbraw/zinc/30/13/67/208301367.db2.gz GWCLVCWTAXGMBV-CXAGYDPISA-N 0 0 380.404 4.162 50 5 GIBARN CSc1nc2n(n1)[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C1C(=O)CCCC1=N2 ZINC000102670918 208409617 /nfs/dbraw/zinc/40/96/17/208409617.db2.gz IIORSUQCFXAUDR-AWEZNQCLSA-N 0 0 391.840 4.233 50 5 GIBARN CC[C@@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 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388.855 4.229 50 5 GIBARN O=C(NCc1cccc(COCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000032925137 208993036 /nfs/dbraw/zinc/99/30/36/208993036.db2.gz PASZVGPSTHLKLI-UHFFFAOYSA-N 0 0 376.412 4.242 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 ZINC000005265213 220853002 /nfs/dbraw/zinc/85/30/02/220853002.db2.gz MQGRQCYKGOZARS-UHFFFAOYSA-N 0 0 398.375 4.179 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(F)cc2F)cs1 ZINC000006332506 220929698 /nfs/dbraw/zinc/92/96/98/220929698.db2.gz STNYMMNAJLGTFP-UHFFFAOYSA-N 0 0 375.356 4.178 50 5 GIBARN O=[N+]([O-])c1ccc(/C=C/c2c(Br)cncc2Br)nc1 ZINC000253425622 209041626 /nfs/dbraw/zinc/04/16/26/209041626.db2.gz FZYVMBNGOGAKML-DUXPYHPUSA-N 0 0 385.015 4.080 50 5 GIBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000012554637 221206052 /nfs/dbraw/zinc/20/60/52/221206052.db2.gz BEEWUWQMFFJMSO-UHFFFAOYSA-N 0 0 378.226 4.188 50 5 GIBARN CCCCCc1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000040103906 132396074 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C[C@@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 ZINC000004872314 570352073 /nfs/dbraw/zinc/35/20/73/570352073.db2.gz RAGATRMNHXRQMA-REWPJTCUSA-N 0 0 398.418 4.090 50 5 GIBARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000004895868 570357712 /nfs/dbraw/zinc/35/77/12/570357712.db2.gz RPBMEICGTAFCGX-UHFFFAOYSA-N 0 0 396.447 4.042 50 5 GIBARN COc1ccc2cc3cc(C(=O)Nc4cc([N+](=O)[O-])ccc4OC)oc3nc2c1 ZINC000004908074 570361754 /nfs/dbraw/zinc/36/17/54/570361754.db2.gz HVGWITVCGXUVTF-UHFFFAOYSA-N 0 0 393.355 4.159 50 5 GIBARN Cc1cc(C)c(NC(=O)c2cccc(I)c2)c([N+](=O)[O-])c1 ZINC000004919089 570363250 /nfs/dbraw/zinc/36/32/50/570363250.db2.gz NCMDFPWGBRADDH-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2 ZINC000006327583 570389840 /nfs/dbraw/zinc/38/98/40/570389840.db2.gz LDAYNROMIVJMBB-UHFFFAOYSA-N 0 0 394.474 4.416 50 5 GIBARN CCOc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cccc(C)c3)n2)cc1 ZINC000005054638 570406805 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GIBARN CC[C@@H](c1ccccc1)[C@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000072277132 570462221 /nfs/dbraw/zinc/46/22/21/570462221.db2.gz YBPGGRDMUKOEFK-ZWKOTPCHSA-N 0 0 388.489 4.161 50 5 GIBARN O=C(Oc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000006548767 570472721 /nfs/dbraw/zinc/47/27/21/570472721.db2.gz LWHFETWUFXUIES-IBGZPJMESA-N 0 0 389.367 4.243 50 5 GIBARN CCc1nc2c(c3nc4ccccc4n31)c(=O)c(C)nn2-c1ccc(C)c(C)c1 ZINC000005207803 570506491 /nfs/dbraw/zinc/50/64/91/570506491.db2.gz UORGESBECZNYMH-UHFFFAOYSA-N 0 0 383.455 4.069 50 5 GIBARN COC(=O)c1cc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000005245043 570526574 /nfs/dbraw/zinc/52/65/74/570526574.db2.gz ZJSDRXWAAKOUEG-UHFFFAOYSA-N 0 0 397.431 4.014 50 5 GIBARN CCCCNc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005268083 570536688 /nfs/dbraw/zinc/53/66/88/570536688.db2.gz SIZOZHKCUYQURR-UHFFFAOYSA-N 0 0 381.436 4.104 50 5 GIBARN Cc1ccc(NC(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)c(C)c1 ZINC000005353914 570559653 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5 GIBARN Cc1nc(-c2ccc(C)cc2)sc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004392548 570728775 /nfs/dbraw/zinc/72/87/75/570728775.db2.gz BLXMRQXIILKYIF-UHFFFAOYSA-N 0 0 381.457 4.308 50 5 GIBARN Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)c1 ZINC000004405403 570741160 /nfs/dbraw/zinc/74/11/60/570741160.db2.gz ZRRRACPTYRYUCM-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN COc1ccccc1-n1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O ZINC000004419904 570745662 /nfs/dbraw/zinc/74/56/62/570745662.db2.gz ORBRVCMDIXEITM-BUHFOSPRSA-N 0 0 399.406 4.473 50 5 GIBARN Cc1cc(Br)c2[nH]c(=O)c3sc(-c4ccccc4)nc(=O)c3c2c1 ZINC000001020567 570747213 /nfs/dbraw/zinc/74/72/13/570747213.db2.gz DWLLPRLUVXFNJS-UHFFFAOYSA-N 0 0 399.269 4.236 50 5 GIBARN CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004456054 570789822 /nfs/dbraw/zinc/78/98/22/570789822.db2.gz NHPYJWLDGPFGFV-UHFFFAOYSA-N 0 0 382.464 4.246 50 5 GIBARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@@H]1C ZINC000005858201 570797597 /nfs/dbraw/zinc/79/75/97/570797597.db2.gz SQTWDHAUIDXVDK-WZRBSPASSA-N 0 0 379.507 4.238 50 5 GIBARN O=C(Nc1nc2ccccc2c2nc3ccccc3n21)c1ccc([N+](=O)[O-])cc1 ZINC000005692317 570813314 /nfs/dbraw/zinc/81/33/14/570813314.db2.gz NFWLUWVYNVCOIV-UHFFFAOYSA-N 0 0 383.367 4.196 50 5 GIBARN CCc1c(C(=O)Nc2ccc3oc(C)nc3c2)cnn1-c1ccc([N+](=O)[O-])cc1 ZINC000032804912 570822639 /nfs/dbraw/zinc/82/26/39/570822639.db2.gz JZHUXDHXMMOJPA-UHFFFAOYSA-N 0 0 391.387 4.045 50 5 GIBARN COc1ccc(C)cc1NC(=O)COc1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000012521517 570828249 /nfs/dbraw/zinc/82/82/49/570828249.db2.gz XSSCTKIKQHHTIE-UHFFFAOYSA-N 0 0 388.423 4.016 50 5 GIBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1 ZINC000012531990 570834363 /nfs/dbraw/zinc/83/43/63/570834363.db2.gz BXRLXYZTIQWMED-UHFFFAOYSA-N 0 0 381.413 4.159 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000004690659 570836204 /nfs/dbraw/zinc/83/62/04/570836204.db2.gz FBTCDCGMRJKVLG-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN CCOC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004526205 570843065 /nfs/dbraw/zinc/84/30/65/570843065.db2.gz YXMFGAISCADYIM-RGEXLXHISA-N 0 0 396.443 4.226 50 5 GIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004545069 570856437 /nfs/dbraw/zinc/85/64/37/570856437.db2.gz XYYKQBQIDLBRON-QHHAFSJGSA-N 0 0 382.159 4.462 50 5 GIBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(N2CCCCCCC2)c([N+](=O)[O-])c1 ZINC000102783427 570863587 /nfs/dbraw/zinc/86/35/87/570863587.db2.gz ZAUZYBMTXHYFKV-IRXDYDNUSA-N 0 0 385.464 4.045 50 5 GIBARN Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000007561277 570883377 /nfs/dbraw/zinc/88/33/77/570883377.db2.gz BHOHNWUESTVKQW-UHFFFAOYSA-N 0 0 390.896 4.076 50 5 GIBARN Cc1c(NC(=O)c2cc3c(s2)c2ccccc2oc3=O)cccc1[N+](=O)[O-] ZINC000004563777 570891010 /nfs/dbraw/zinc/89/10/10/570891010.db2.gz VGCZPKBEQVNOSQ-UHFFFAOYSA-N 0 0 380.381 4.477 50 5 GIBARN COCCn1c(Cc2ccccc2)nnc1S[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000012686490 570948724 /nfs/dbraw/zinc/94/87/24/570948724.db2.gz JOKXPDUAEGQNAX-HNNXBMFYSA-N 0 0 398.488 4.277 50 5 GIBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1F ZINC000002856690 570968301 /nfs/dbraw/zinc/96/83/01/570968301.db2.gz YNEQIUHBTRYPQB-UHFFFAOYSA-N 0 0 399.241 4.368 50 5 GIBARN COC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000004777412 570975970 /nfs/dbraw/zinc/97/59/70/570975970.db2.gz PXICEIOUFOXCHE-UHFFFAOYSA-N 0 0 396.424 4.291 50 5 GIBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1C ZINC000012747145 570989815 /nfs/dbraw/zinc/98/98/15/570989815.db2.gz UMZDDAGHGXHLNH-CQSZACIVSA-N 0 0 388.445 4.340 50 5 GIBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015608536 571029062 /nfs/dbraw/zinc/02/90/62/571029062.db2.gz HZQDAPLDXCNUBR-LLVKDONJSA-N 0 0 375.812 4.029 50 5 GIBARN O=C(Nc1nc2c(s1)CCCCC2)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000012777667 571031388 /nfs/dbraw/zinc/03/13/88/571031388.db2.gz YBRKEPJUWJWEGN-UHFFFAOYSA-N 0 0 396.266 4.335 50 5 GIBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000007757955 571032087 /nfs/dbraw/zinc/03/20/87/571032087.db2.gz XQAMHDPUILCYIY-AWEZNQCLSA-N 0 0 387.411 4.130 50 5 GIBARN CCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002284762 817382554 /nfs/dbraw/zinc/38/25/54/817382554.db2.gz DIKKGNMCOSEPSQ-UHFFFAOYSA-N 0 0 383.455 4.392 50 5 GIBARN Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000002293610 817382908 /nfs/dbraw/zinc/38/29/08/817382908.db2.gz IHTNUABIDOQQHY-UHFFFAOYSA-N 0 0 380.795 4.429 50 5 GIBARN CCOC(=O)c1cn(-c2ccc(C)cc2)c2cc(Cl)c([N+](=O)[O-])cc2c1=O ZINC000002321037 817384350 /nfs/dbraw/zinc/38/43/50/817384350.db2.gz MPFUFVMBXWBZJI-UHFFFAOYSA-N 0 0 386.791 4.037 50 5 GIBARN CCCCCCn1c(=O)c2c(=O)c3ccc(OC)cc3oc2nc1-c1ccco1 ZINC000002354383 817385394 /nfs/dbraw/zinc/38/53/94/817385394.db2.gz VUVJDBOLIWGREG-UHFFFAOYSA-N 0 0 394.427 4.352 50 5 GIBARN CC[C@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002400587 817387223 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0 0 380.429 4.277 50 5 GIBARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000002764333 817399716 /nfs/dbraw/zinc/39/97/16/817399716.db2.gz BVWOZGPVIWTEFC-UHFFFAOYSA-N 0 0 378.432 4.326 50 5 GIBARN CC[C@@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 ZINC000002803042 817402007 /nfs/dbraw/zinc/40/20/07/817402007.db2.gz INLPVWOFSGWMGU-LLVKDONJSA-N 0 0 379.445 4.429 50 5 GIBARN O=[N+]([O-])c1ccccc1OCc1ccc(-c2nc3c4ccccc4ncn3n2)o1 ZINC000002806457 817402657 /nfs/dbraw/zinc/40/26/57/817402657.db2.gz QHNNAGKNTJQGSR-UHFFFAOYSA-N 0 0 387.355 4.025 50 5 GIBARN O=C(Nc1ccc2c(c1)OCO2)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000002849885 817403312 /nfs/dbraw/zinc/40/33/12/817403312.db2.gz ALTORMJOPJVTOR-UHFFFAOYSA-N 0 0 378.340 4.368 50 5 GIBARN CCc1nnc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1 ZINC000002848378 817403466 /nfs/dbraw/zinc/40/34/66/817403466.db2.gz GEKXTCLBWQODHC-UHFFFAOYSA-N 0 0 378.797 4.174 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2cccc(Cl)c2Cl)C(=O)O1 ZINC000002930662 817406763 /nfs/dbraw/zinc/40/67/63/817406763.db2.gz GRRWFFPDSYVUJU-NTUHNPAUSA-N 0 0 393.182 4.255 50 5 GIBARN O=C(COc1ccccc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000003080889 817417525 /nfs/dbraw/zinc/41/75/25/817417525.db2.gz NHEKNIIHJGTPIE-UHFFFAOYSA-N 0 0 377.352 4.076 50 5 GIBARN CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000003196839 817421353 /nfs/dbraw/zinc/42/13/53/817421353.db2.gz OZVBJEWUCQTIHD-UHFFFAOYSA-N 0 0 386.385 4.345 50 5 GIBARN Cc1cccc(C)c1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O ZINC000003206793 817421864 /nfs/dbraw/zinc/42/18/64/817421864.db2.gz GKAJJPNULNJHBW-UHFFFAOYSA-N 0 0 391.339 4.074 50 5 GIBARN CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003260837 817429581 /nfs/dbraw/zinc/42/95/81/817429581.db2.gz ZVCXLAJLNPJDIW-UHFFFAOYSA-N 0 0 390.823 4.341 50 5 GIBARN O=C(CCCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004040807 817498800 /nfs/dbraw/zinc/49/88/00/817498800.db2.gz XMCKSZYFZLTJKO-UHFFFAOYSA-N 0 0 379.210 4.155 50 5 GIBARN O=C(CCc1ccccc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000004087634 817502246 /nfs/dbraw/zinc/50/22/46/817502246.db2.gz ZQYGYDROMRHQKI-UHFFFAOYSA-N 0 0 394.456 4.099 50 5 GIBARN Cc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1[N+](=O)[O-] ZINC000004108206 817503990 /nfs/dbraw/zinc/50/39/90/817503990.db2.gz KLXOZEYHODNPJI-UHFFFAOYSA-N 0 0 389.367 4.119 50 5 GIBARN Cc1cc(NC(=O)c2cc3ccccc3oc2=O)nc2c3ccccc3oc(=O)c12 ZINC000004108223 817504130 /nfs/dbraw/zinc/50/41/30/817504130.db2.gz WDYDTQFOZRZTKN-UHFFFAOYSA-N 0 0 398.374 4.008 50 5 GIBARN O=C(Nc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1 ZINC000004189036 817509405 /nfs/dbraw/zinc/50/94/05/817509405.db2.gz KUQMDLMLZMSJPP-UHFFFAOYSA-N 0 0 378.344 4.499 50 5 GIBARN COc1cccc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1 ZINC000004276048 817516176 /nfs/dbraw/zinc/51/61/76/817516176.db2.gz YAFGEKUUAWMIES-UHFFFAOYSA-N 0 0 396.384 4.120 50 5 GIBARN CC(=O)Oc1ccc(/C=C/c2cc(OC(C)=O)c3ccccc3n2)cc1[N+](=O)[O-] ZINC000008036184 817987311 /nfs/dbraw/zinc/98/73/11/817987311.db2.gz HQDVZMONVCCGLC-VQHVLOKHSA-N 0 0 392.367 4.164 50 5 GIBARN O=c1oc2c(ccc3c2CN(CCc2cccc(F)c2)CO3)c2ccccc12 ZINC000020609867 818627373 /nfs/dbraw/zinc/62/73/73/818627373.db2.gz GLLNMGDZEGAJOS-UHFFFAOYSA-N 0 0 375.399 4.480 50 5 GIBARN Cc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1C ZINC000006581311 230849593 /nfs/dbraw/zinc/84/95/93/230849593.db2.gz GRKGNBHIBMRSKF-UHFFFAOYSA-N 0 0 383.429 4.353 50 5 GIBARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001147585 209115236 /nfs/dbraw/zinc/11/52/36/209115236.db2.gz QEMOVVPFHUXNST-UHFFFAOYSA-N 0 0 391.379 4.214 50 5 GIBARN O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1cccc([N+](=O)[O-])c1 ZINC000033286132 206256652 /nfs/dbraw/zinc/25/66/52/206256652.db2.gz FVFBDVDMYYVSQS-NVNXTCNLSA-N 0 0 389.820 4.354 50 5 GIBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000829168 206290286 /nfs/dbraw/zinc/29/02/86/206290286.db2.gz GKAJWFUBAWAUKN-UHFFFAOYSA-N 0 0 382.825 4.356 50 5 GIBARN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000011214175 206294243 /nfs/dbraw/zinc/29/42/43/206294243.db2.gz UPKVZUQLURMNNR-INIZCTEOSA-N 0 0 375.222 4.238 50 5 GIBARN CN(C(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2ccccc21 ZINC000096911762 206302208 /nfs/dbraw/zinc/30/22/08/206302208.db2.gz WWHQMEUBLCAFRU-QJRAZLAKSA-N 0 0 394.427 4.011 50 5 GIBARN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000674477 206315644 /nfs/dbraw/zinc/31/56/44/206315644.db2.gz IIKFKRZGVLCHNL-UHFFFAOYSA-N 0 0 389.820 4.389 50 5 GIBARN CCOc1ccc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)sc2c1 ZINC000000827184 206324892 /nfs/dbraw/zinc/32/48/92/206324892.db2.gz INRURVPZNVCQTQ-UHFFFAOYSA-N 0 0 389.458 4.334 50 5 GIBARN COc1ccc(CSc2nnnn2-c2cccc3ccccc32)cc1[N+](=O)[O-] ZINC000000852603 206328166 /nfs/dbraw/zinc/32/81/66/206328166.db2.gz USGNYRHBEHSNJD-UHFFFAOYSA-N 0 0 393.428 4.025 50 5 GIBARN CC(=O)OCc1c2c(ccc1OC(C)=O)c([N+](=O)[O-])c(C)n2-c1ccc(C)cc1 ZINC000000978436 206338373 /nfs/dbraw/zinc/33/83/73/206338373.db2.gz PHUMYNOPYMKMNR-UHFFFAOYSA-N 0 0 396.399 4.144 50 5 GIBARN CC1(C)Cc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2C(=O)C1 ZINC000001128623 206356642 /nfs/dbraw/zinc/35/66/42/206356642.db2.gz GGCQHNACLBKHEE-UHFFFAOYSA-N 0 0 379.825 4.112 50 5 GIBARN O=C(CCC(=O)OCc1cccc([N+](=O)[O-])c1)Nc1ccccc1C(F)(F)F ZINC000001136276 206357179 /nfs/dbraw/zinc/35/71/79/206357179.db2.gz QUCIFCVCTQPANO-UHFFFAOYSA-N 0 0 396.321 4.076 50 5 GIBARN CC1(C)Cc2nc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])sc2C(=O)C1 ZINC000001135621 206357499 /nfs/dbraw/zinc/35/74/99/206357499.db2.gz NILHYIAWMJHQRL-UHFFFAOYSA-N 0 0 379.825 4.112 50 5 GIBARN O=C(OCc1ccc(C(=O)Oc2ccccc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001130256 206357747 /nfs/dbraw/zinc/35/77/47/206357747.db2.gz APPOFVQZXGNSBH-UHFFFAOYSA-N 0 0 377.352 4.171 50 5 GIBARN Cc1nc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c1Cc1ccccc1 ZINC000009946519 206372903 /nfs/dbraw/zinc/37/29/03/206372903.db2.gz KHRSCSDMNUKXCP-AWEZNQCLSA-N 0 0 396.472 4.336 50 5 GIBARN O=C(Nc1cccc2ccccc21)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000010187947 206374302 /nfs/dbraw/zinc/37/43/02/206374302.db2.gz DUISVKFDKMMUNY-UHFFFAOYSA-N 0 0 399.406 4.210 50 5 GIBARN CC[C@@H](C)c1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000001148682 206359525 /nfs/dbraw/zinc/35/95/25/206359525.db2.gz QJNRWXHQZWADIY-GDBMZVCRSA-N 0 0 381.432 4.100 50 5 GIBARN CC1CCN(C(=S)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000001161707 206362011 /nfs/dbraw/zinc/36/20/11/206362011.db2.gz UHMHNZFHUODZRS-UHFFFAOYSA-N 0 0 384.457 4.221 50 5 GIBARN Cc1ccc(-c2cc(=O)oc(-c3ccc(Br)cc3)n2)cc1[N+](=O)[O-] ZINC000001181803 206364543 /nfs/dbraw/zinc/36/45/43/206364543.db2.gz WSAYBXLJYIYJCN-UHFFFAOYSA-N 0 0 387.189 4.348 50 5 GIBARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001195835 206366967 /nfs/dbraw/zinc/36/69/67/206366967.db2.gz FUXWHCQQFKUUIF-SFHVURJKSA-N 0 0 390.395 4.006 50 5 GIBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 ZINC000001211162 206367609 /nfs/dbraw/zinc/36/76/09/206367609.db2.gz YQDRREHWMUINMY-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001208179 206367960 /nfs/dbraw/zinc/36/79/60/206367960.db2.gz CXALBRBYRYJQTG-UHFFFAOYSA-N 0 0 375.340 4.361 50 5 GIBARN CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000002053744 206397705 /nfs/dbraw/zinc/39/77/05/206397705.db2.gz LYNFBTBCJBDUHP-UHFFFAOYSA-N 0 0 393.852 4.164 50 5 GIBARN O=C(CSc1ccc(Br)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000002390409 206414482 /nfs/dbraw/zinc/41/44/82/206414482.db2.gz BGLCBWUVGSXUDC-UHFFFAOYSA-N 0 0 385.214 4.227 50 5 GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O ZINC000002409788 206415433 /nfs/dbraw/zinc/41/54/33/206415433.db2.gz OTNYUBOVRMHKBY-UHFFFAOYSA-N 0 0 397.482 4.370 50 5 GIBARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002721922 206431269 /nfs/dbraw/zinc/43/12/69/206431269.db2.gz VTXSHRIAFPFCKY-UHFFFAOYSA-N 0 0 387.779 4.159 50 5 GIBARN O=c1c2ccccc2nc(SCc2cccc([N+](=O)[O-])c2)n1Cc1ccco1 ZINC000002970184 206449441 /nfs/dbraw/zinc/44/94/41/206449441.db2.gz SDBRJLLMEMNMCZ-UHFFFAOYSA-N 0 0 393.424 4.238 50 5 GIBARN O=C(NC1CCCCCCC1)c1ccc2nc3cc(Cl)ccc3c(=O)n2c1 ZINC000002965735 206450194 /nfs/dbraw/zinc/45/01/94/206450194.db2.gz HBBKZZMSRVWKFY-UHFFFAOYSA-N 0 0 383.879 4.344 50 5 GIBARN CCOCCCNC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003021513 206453132 /nfs/dbraw/zinc/45/31/32/206453132.db2.gz XRWIMFCTVMLCMK-UHFFFAOYSA-N 0 0 378.425 4.042 50 5 GIBARN CCC(C)(C)OC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138292 206460340 /nfs/dbraw/zinc/46/03/40/206460340.db2.gz JIZNHUHOVCKFRA-UHFFFAOYSA-N 0 0 384.344 4.060 50 5 GIBARN O=C(Nc1nc2ccc(Cl)cc2s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003218461 206461978 /nfs/dbraw/zinc/46/19/78/206461978.db2.gz PPKOACITIXBAPU-UHFFFAOYSA-N 0 0 378.753 4.018 50 5 GIBARN COc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 ZINC000004419834 206519886 /nfs/dbraw/zinc/51/98/86/206519886.db2.gz RUAUFKMIDMBAPB-OVCLIPMQSA-N 0 0 399.406 4.473 50 5 GIBARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000004702150 206544349 /nfs/dbraw/zinc/54/43/49/206544349.db2.gz BQLQZCBLTPCLFQ-UHFFFAOYSA-N 0 0 393.852 4.162 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@@]1(C)C12CC3CC(CC(C3)C1)C2 ZINC000004721462 206546847 /nfs/dbraw/zinc/54/68/47/206546847.db2.gz CFJIAXJBVRIBOT-CQLMTFPYSA-N 0 0 383.448 4.068 50 5 GIBARN CC(=O)Nc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccccc3)n2)cc1 ZINC000004794643 206554559 /nfs/dbraw/zinc/55/45/59/206554559.db2.gz PPOYYUORQZWNBF-UHFFFAOYSA-N 0 0 378.392 4.139 50 5 GIBARN COc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000004984047 206579572 /nfs/dbraw/zinc/57/95/72/206579572.db2.gz JNHWRTXSEDBBNG-UHFFFAOYSA-N 0 0 377.400 4.468 50 5 GIBARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005093633 206591497 /nfs/dbraw/zinc/59/14/97/206591497.db2.gz VJTGUJGVWLSFDE-XBXARRHUSA-N 0 0 391.221 4.326 50 5 GIBARN C[C@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2)o1 ZINC000007372478 206710537 /nfs/dbraw/zinc/71/05/37/206710537.db2.gz SKLVOLFLGNXZMK-AWEZNQCLSA-N 0 0 396.403 4.141 50 5 GIBARN Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)cc1[N+](=O)[O-] ZINC000010740896 206817007 /nfs/dbraw/zinc/81/70/07/206817007.db2.gz GBIDPAMEQDEGNU-UHFFFAOYSA-N 0 0 392.440 4.461 50 5 GIBARN Cc1cc(C)c2c(n1)sc1c3nc(-c4nc(-c5ccccc5)no4)nn3cnc12 ZINC000013643661 206986456 /nfs/dbraw/zinc/98/64/56/206986456.db2.gz FODKUABLFHFIDP-UHFFFAOYSA-N 0 0 399.439 4.221 50 5 GIBARN COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)ccc1OC(F)F ZINC000014094505 207010023 /nfs/dbraw/zinc/01/00/23/207010023.db2.gz PKCCCCJWOGDSFH-UHFFFAOYSA-N 0 0 392.358 4.010 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000015179612 207048531 /nfs/dbraw/zinc/04/85/31/207048531.db2.gz UBMJLEGDWLXPLX-CQSZACIVSA-N 0 0 381.457 4.480 50 5 GIBARN O=C(Nc1nnc(Cc2ccc([N+](=O)[O-])cc2)s1)Nc1cccc(Cl)c1 ZINC000017147488 207085922 /nfs/dbraw/zinc/08/59/22/207085922.db2.gz ZTNRHEHQHSKJIB-UHFFFAOYSA-N 0 0 389.824 4.335 50 5 GIBARN C[C@@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000017749996 207090622 /nfs/dbraw/zinc/09/06/22/207090622.db2.gz LCRGRPDEQOJUGR-LLVKDONJSA-N 0 0 386.408 4.243 50 5 GIBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000018061139 207092234 /nfs/dbraw/zinc/09/22/34/207092234.db2.gz RQSOTNBJCBCXGQ-NSHDSACASA-N 0 0 377.326 4.367 50 5 GIBARN COc1cc(C)ccc1OCCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000020897194 207218004 /nfs/dbraw/zinc/21/80/04/207218004.db2.gz WTSBIKLJSQPSOX-UHFFFAOYSA-N 0 0 387.417 4.133 50 5 GIBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000022023736 207244293 /nfs/dbraw/zinc/24/42/93/207244293.db2.gz CKFCRWDOIMEVBS-UHFFFAOYSA-N 0 0 397.431 4.345 50 5 GIBARN CCOc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC ZINC000024454943 207291949 /nfs/dbraw/zinc/29/19/49/207291949.db2.gz CKKNNHLUWWRAQC-GFCCVEGCSA-N 0 0 392.839 4.489 50 5 GIBARN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)COc1cc(C)ccc1[N+](=O)[O-] ZINC000024542670 207292028 /nfs/dbraw/zinc/29/20/28/207292028.db2.gz GIECQRKAHCUNTR-UHFFFAOYSA-N 0 0 394.431 4.032 50 5 GIBARN C[C@@H](Sc1nc2cc(Br)cnc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000024754027 207295227 /nfs/dbraw/zinc/29/52/27/207295227.db2.gz RNTKFYIPVXBHKP-MRVPVSSYSA-N 0 0 379.239 4.482 50 5 GIBARN Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3cc([N+](=O)[O-])ccc32)c1 ZINC000027533669 207327593 /nfs/dbraw/zinc/32/75/93/207327593.db2.gz POIVNLDOSIVWCF-UHFFFAOYSA-N 0 0 387.395 4.010 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1CN1CCc2ccccc21 ZINC000040150909 207353419 /nfs/dbraw/zinc/35/34/19/207353419.db2.gz AZWPWQCJSQCPPJ-UHFFFAOYSA-N 0 0 387.439 4.339 50 5 GIBARN COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2n1C(F)F ZINC000029417325 207363519 /nfs/dbraw/zinc/36/35/19/207363519.db2.gz ASAJXPPRLCSDCG-UHFFFAOYSA-N 0 0 379.344 4.277 50 5 GIBARN COc1ccc(CSCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000032816108 207409012 /nfs/dbraw/zinc/40/90/12/207409012.db2.gz VYKPCYBBVJZWON-LBPRGKRZSA-N 0 0 394.880 4.367 50 5 GIBARN Cc1c(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)cccc1[N+](=O)[O-] ZINC000040141392 207582824 /nfs/dbraw/zinc/58/28/24/207582824.db2.gz MQACTMKFHJRURC-UHFFFAOYSA-N 0 0 398.369 4.108 50 5 GIBARN Cc1cc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)n(C)n1 ZINC000047476628 207681603 /nfs/dbraw/zinc/68/16/03/207681603.db2.gz ZLDMAVUWBQLYSV-UHFFFAOYSA-N 0 0 399.838 4.155 50 5 GIBARN O=C(Oc1cccc([N+](=O)[O-])c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000052930576 207720570 /nfs/dbraw/zinc/72/05/70/207720570.db2.gz OTPAUNWHUGNDHT-UHFFFAOYSA-N 0 0 395.333 4.267 50 5 GIBARN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095467391 208190053 /nfs/dbraw/zinc/19/00/53/208190053.db2.gz TWTKKOZLBUIZES-NVXWUHKLSA-N 0 0 396.491 4.042 50 5 GIBARN Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N[C@H]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095467393 208190380 /nfs/dbraw/zinc/19/03/80/208190380.db2.gz TWTKKOZLBUIZES-WBVHZDCISA-N 0 0 396.491 4.042 50 5 GIBARN O=C(C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(F)cc1)N1CCCC1 ZINC000096276534 208300571 /nfs/dbraw/zinc/30/05/71/208300571.db2.gz LZNQOFXBZGEZJW-QGZVFWFLSA-N 0 0 381.407 4.360 50 5 GIBARN CC(C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096275313 208300579 /nfs/dbraw/zinc/30/05/79/208300579.db2.gz ZIANLENSLTWZFM-TZZQJPOUSA-N 0 0 392.415 4.172 50 5 GIBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)c1ccccc1 ZINC000096288407 208301984 /nfs/dbraw/zinc/30/19/84/208301984.db2.gz DXESZGMUOKJISM-HNNXBMFYSA-N 0 0 394.431 4.128 50 5 GIBARN CC(C)[C@H](NC(=O)CCc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718496 208396227 /nfs/dbraw/zinc/39/62/27/208396227.db2.gz AIHOFQIPKURNBV-IBGZPJMESA-N 0 0 394.431 4.091 50 5 GIBARN CCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)CC(C)(C)C ZINC000103065177 208415327 /nfs/dbraw/zinc/41/53/27/208415327.db2.gz RMSQAMQDHZFPQA-UHFFFAOYSA-N 0 0 388.468 4.252 50 5 GIBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1C ZINC000002483558 208503527 /nfs/dbraw/zinc/50/35/27/208503527.db2.gz OKEFWQKFSOXLIA-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN Cc1cc(NC(=O)COc2ccc(Cl)cc2)nc2c3ccccc3oc(=O)c12 ZINC000004108167 208537449 /nfs/dbraw/zinc/53/74/49/208537449.db2.gz TZZFUIZZOOWDMD-UHFFFAOYSA-N 0 0 394.814 4.321 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000007574047 208689703 /nfs/dbraw/zinc/68/97/03/208689703.db2.gz ZUNYDONFBBRYIY-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002767669 208715144 /nfs/dbraw/zinc/71/51/44/208715144.db2.gz CFXRWOGONHWNFC-UHFFFAOYSA-N 0 0 378.753 4.018 50 5 GIBARN COc1ccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1[N+](=O)[O-] ZINC000024467475 208869875 /nfs/dbraw/zinc/86/98/75/208869875.db2.gz PMWYSWHOZSKPFA-UHFFFAOYSA-N 0 0 380.322 4.215 50 5 GIBARN COc1cc([C@H](C)NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(C)C ZINC000032830917 208991496 /nfs/dbraw/zinc/99/14/96/208991496.db2.gz SATUCCKSOHAAIM-HNNXBMFYSA-N 0 0 386.448 4.058 50 5 GIBARN CCC(CC)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000032915561 208993788 /nfs/dbraw/zinc/99/37/88/208993788.db2.gz LIPAOFGARAIVOD-NRFANRHFSA-N 0 0 397.475 4.008 50 5 GIBARN CCn1cc(C2CCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])CC2)cn1 ZINC000095437091 136179163 /nfs/dbraw/zinc/17/91/63/136179163.db2.gz HVIKUVQUCXABDP-UHFFFAOYSA-N 0 0 385.855 4.397 50 5 GIBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1N1CCCCC1 ZINC000008720367 136195607 /nfs/dbraw/zinc/19/56/07/136195607.db2.gz AKYAKGCIAOTRBG-KRWDZBQOSA-N 0 0 396.491 4.044 50 5 GIBARN O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cc2sc3ccccc3c2s1 ZINC000053275394 222009910 /nfs/dbraw/zinc/00/99/10/222009910.db2.gz ZNQRENNHMKRCDC-AWEZNQCLSA-N 0 0 398.465 4.488 50 5 GIBARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000032519683 570220141 /nfs/dbraw/zinc/22/01/41/570220141.db2.gz DXSGRIVNDHEVDV-UHFFFAOYSA-N 0 0 376.294 4.052 50 5 GIBARN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000011585093 570231999 /nfs/dbraw/zinc/23/19/99/570231999.db2.gz SUVUMGBLGFWCFO-GOSISDBHSA-N 0 0 391.431 4.023 50 5 GIBARN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011602723 570233939 /nfs/dbraw/zinc/23/39/39/570233939.db2.gz BUTCJDHOBRGQMN-UHFFFAOYSA-N 0 0 382.247 4.362 50 5 GIBARN Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)C(C)(C)C)n1 ZINC000006082420 570238374 /nfs/dbraw/zinc/23/83/74/570238374.db2.gz FQNZPNZILJWPMW-UHFFFAOYSA-N 0 0 394.474 4.283 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1cccc(Br)c1 ZINC000048366300 570245826 /nfs/dbraw/zinc/24/58/26/570245826.db2.gz MJUQCTGDIBWSHB-INIZCTEOSA-N 0 0 389.249 4.264 50 5 GIBARN Cc1ccc(C2=N/C(=C/c3cccc(Br)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000000716818 570303036 /nfs/dbraw/zinc/30/30/36/570303036.db2.gz PZSRWVJGCGRBIV-RIYZIHGNSA-N 0 0 387.189 4.010 50 5 GIBARN COc1ccc(NC(=O)N(C)Cc2ccccc2N2CCCCC2)c([N+](=O)[O-])c1 ZINC000023393648 570322490 /nfs/dbraw/zinc/32/24/90/570322490.db2.gz WTZLLBOOMJVRMA-UHFFFAOYSA-N 0 0 398.463 4.258 50 5 GIBARN O=C(OCc1coc(-c2cccs2)n1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004893042 570357956 /nfs/dbraw/zinc/35/79/56/570357956.db2.gz ILMCLJREMNHIBT-UHFFFAOYSA-N 0 0 399.428 4.269 50 5 GIBARN CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])CC(=O)N1 ZINC000004913246 570362848 /nfs/dbraw/zinc/36/28/48/570362848.db2.gz KEMISNIEEGTGIH-QGZVFWFLSA-N 0 0 386.448 4.128 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000004925197 570370412 /nfs/dbraw/zinc/37/04/12/570370412.db2.gz NPUAPGTYRNWFCB-UHFFFAOYSA-N 0 0 380.473 4.442 50 5 GIBARN CC(C)Cn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21 ZINC000005071466 570412635 /nfs/dbraw/zinc/41/26/35/570412635.db2.gz DQOPPTUOFCFEIU-UHFFFAOYSA-N 0 0 389.415 4.401 50 5 GIBARN CSc1nnc2c(n1)O[C@@H](/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000005127948 570420512 /nfs/dbraw/zinc/42/05/12/570420512.db2.gz UUUIWSHMMVFOQP-OFAQMXQXSA-N 0 0 393.428 4.013 50 5 GIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000011773532 570434844 /nfs/dbraw/zinc/43/48/44/570434844.db2.gz KDUWXOTXWZJZPV-UHFFFAOYSA-N 0 0 392.346 4.432 50 5 GIBARN NC(=O)c1ccc(NCCC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006507319 570460115 /nfs/dbraw/zinc/46/01/15/570460115.db2.gz GYGYOBIOTCSZST-UHFFFAOYSA-N 0 0 375.428 4.328 50 5 GIBARN CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000005162364 570462816 /nfs/dbraw/zinc/46/28/16/570462816.db2.gz GQXAZZXTBTXCGY-FKVRIVCVSA-N 0 0 397.862 4.275 50 5 GIBARN CC[C@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1 ZINC000006537297 570470285 /nfs/dbraw/zinc/47/02/85/570470285.db2.gz HMXPAIFFGHDBLJ-KRWDZBQOSA-N 0 0 398.459 4.440 50 5 GIBARN CCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cccc(C)c3nc21 ZINC000005164655 570472607 /nfs/dbraw/zinc/47/26/07/570472607.db2.gz RJGWOODIMGRHRD-UHFFFAOYSA-N 0 0 389.415 4.463 50 5 GIBARN CCc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1 ZINC000006555758 570476640 /nfs/dbraw/zinc/47/66/40/570476640.db2.gz DFRQIYRDHYPLMQ-UHFFFAOYSA-N 0 0 377.853 4.246 50 5 GIBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)NCc1ccc(Cl)cc1 ZINC000006720351 570490202 /nfs/dbraw/zinc/49/02/02/570490202.db2.gz IHIBGMPTXRARBV-UHFFFAOYSA-N 0 0 390.870 4.433 50 5 GIBARN COc1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000011071965 570500607 /nfs/dbraw/zinc/50/06/07/570500607.db2.gz QIXRDZYAKMMMTB-UHFFFAOYSA-N 0 0 377.400 4.014 50 5 GIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O ZINC000005219793 570514425 /nfs/dbraw/zinc/51/44/25/570514425.db2.gz USINAIXLXQPXMV-ZDUSSCGKSA-N 0 0 387.418 4.394 50 5 GIBARN CCC(CC)(NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000072307875 570526225 /nfs/dbraw/zinc/52/62/25/570526225.db2.gz VBCPZBVCHMNILD-UHFFFAOYSA-N 0 0 387.402 4.049 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3cccs3)nc21 ZINC000005324107 570553305 /nfs/dbraw/zinc/55/33/05/570553305.db2.gz JBVRAFURVWRMCR-UHFFFAOYSA-N 0 0 399.475 4.025 50 5 GIBARN O=C(c1ccccc1)c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 ZINC000005442750 570594908 /nfs/dbraw/zinc/59/49/08/570594908.db2.gz CWVMMQBAGJILHX-UHFFFAOYSA-N 0 0 391.379 4.271 50 5 GIBARN CCOc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c([N+](=O)[O-])c1 ZINC000004337779 570674778 /nfs/dbraw/zinc/67/47/78/570674778.db2.gz WFPXQLBHOULJKB-UHFFFAOYSA-N 0 0 387.373 4.369 50 5 GIBARN COc1ccc2[nH]c(S[C@@H](C)c3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nc2c1 ZINC000006930854 570709894 /nfs/dbraw/zinc/70/98/94/570709894.db2.gz CPQUKLHTKQBEJQ-JTQLQIEISA-N 0 0 397.416 4.383 50 5 GIBARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 ZINC000006947591 570718038 /nfs/dbraw/zinc/71/80/38/570718038.db2.gz JZJWZKJJODGGOR-UHFFFAOYSA-N 0 0 396.428 4.237 50 5 GIBARN O=[N+]([O-])c1ccc(/C=C(\[C@@H](O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000210954463 570723424 /nfs/dbraw/zinc/72/34/24/570723424.db2.gz UIDSFUGZWKBQGX-BNSMALCHSA-N 0 0 391.214 4.225 50 5 GIBARN Cc1nc(-c2cccc(C)c2)sc1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004392494 570728662 /nfs/dbraw/zinc/72/86/62/570728662.db2.gz JMRMQIPMIQTHDU-UHFFFAOYSA-N 0 0 381.457 4.308 50 5 GIBARN CCOc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000000957099 570737040 /nfs/dbraw/zinc/73/70/40/570737040.db2.gz KLFLWTFJCZSFFL-UHFFFAOYSA-N 0 0 399.428 4.135 50 5 GIBARN O=Cc1ccccc1OC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000000959453 570739208 /nfs/dbraw/zinc/73/92/08/570739208.db2.gz KOIAKTPPRQEULY-UHFFFAOYSA-N 0 0 385.319 4.124 50 5 GIBARN O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000971146 570740881 /nfs/dbraw/zinc/74/08/81/570740881.db2.gz FEURUIGBQJUPJK-CQSZACIVSA-N 0 0 388.638 4.133 50 5 GIBARN Cc1cc(C(=O)COC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1CCC(C)C ZINC000025250490 570744946 /nfs/dbraw/zinc/74/49/46/570744946.db2.gz UVQLZCUIAQSTMZ-UHFFFAOYSA-N 0 0 386.448 4.028 50 5 GIBARN COc1ccc(-c2cc(C)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000001078238 570748925 /nfs/dbraw/zinc/74/89/25/570748925.db2.gz XRCIQLZEEYOWLR-UHFFFAOYSA-N 0 0 395.440 4.344 50 5 GIBARN CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000025444120 570752689 /nfs/dbraw/zinc/75/26/89/570752689.db2.gz BCNDCYHXNOSPHN-UHFFFAOYSA-N 0 0 383.404 4.320 50 5 GIBARN Cc1ccc([C@@H](CN2CCOCC2)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000015143087 570774024 /nfs/dbraw/zinc/77/40/24/570774024.db2.gz VVSDEEKOENBZQB-LJQANCHMSA-N 0 0 375.856 4.042 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C ZINC000032753470 570796534 /nfs/dbraw/zinc/79/65/34/570796534.db2.gz YUSOTEPZMWMZHY-UHFFFAOYSA-N 0 0 398.444 4.355 50 5 GIBARN CSc1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777285 570799550 /nfs/dbraw/zinc/79/95/50/570799550.db2.gz HMZLCVHKZHVFTN-UHFFFAOYSA-N 0 0 375.431 4.189 50 5 GIBARN Cc1cccc(C)c1NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000034803593 570800706 /nfs/dbraw/zinc/80/07/06/570800706.db2.gz MERUTOYVUDCKES-UYAOXDASSA-N 0 0 379.460 4.382 50 5 GIBARN Cc1ccc(C2=N/C(=C/c3cc(Br)cs3)C(=O)O2)cc1[N+](=O)[O-] ZINC000033090816 570808878 /nfs/dbraw/zinc/80/88/78/570808878.db2.gz KCLVOBJFLPTDNZ-WUXMJOGZSA-N 0 0 393.218 4.072 50 5 GIBARN COc1ccccc1-c1cc(CN(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)no1 ZINC000034922248 570809529 /nfs/dbraw/zinc/80/95/29/570809529.db2.gz DUYLKRMZXYOUIG-UHFFFAOYSA-N 0 0 393.399 4.063 50 5 GIBARN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OC ZINC000005980203 570811305 /nfs/dbraw/zinc/81/13/05/570811305.db2.gz QBCIAHWZZPTNOV-UHFFFAOYSA-N 0 0 395.209 4.017 50 5 GIBARN CCCN1c2ccccc2N2C1=NC(=O)/C2=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000004701814 570842495 /nfs/dbraw/zinc/84/24/95/570842495.db2.gz RTXQGLJHGXNNKM-GZTJUZNOSA-N 0 0 382.807 4.222 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1cccc(Cl)c1 ZINC000004702041 570842867 /nfs/dbraw/zinc/84/28/67/570842867.db2.gz GPIOHBBEVDVJBP-BQYQJAHWSA-N 0 0 376.865 4.311 50 5 GIBARN COc1ccc(NC(=O)[C@H](C)Nc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000012559082 570860786 /nfs/dbraw/zinc/86/07/86/570860786.db2.gz OOVDFAIHVQIWFP-HNNXBMFYSA-N 0 0 398.463 4.033 50 5 GIBARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000012562326 570867452 /nfs/dbraw/zinc/86/74/52/570867452.db2.gz QKWYEPJLCIBCPK-LBPRGKRZSA-N 0 0 382.445 4.466 50 5 GIBARN CCCc1n[nH]c(C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1[N+](=O)[O-] ZINC000170623542 570881825 /nfs/dbraw/zinc/88/18/25/570881825.db2.gz JZCIIWYOXOTXBR-GOSISDBHSA-N 0 0 390.443 4.058 50 5 GIBARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103591681 570887653 /nfs/dbraw/zinc/88/76/53/570887653.db2.gz WXLJLUCZPBKHFP-GOSISDBHSA-N 0 0 390.395 4.301 50 5 GIBARN CSc1nc2n(n1)[C@H](c1ccccc1[N+](=O)[O-])C1C(=O)CC(C)(C)CC1=N2 ZINC000104160001 570896101 /nfs/dbraw/zinc/89/61/01/570896101.db2.gz VQCARNMMXJKKME-OAHLLOKOSA-N 0 0 385.449 4.216 50 5 GIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1Cl ZINC000004561009 570896861 /nfs/dbraw/zinc/89/68/61/570896861.db2.gz NJDHMZBBUQMWHT-UHFFFAOYSA-N 0 0 393.852 4.082 50 5 GIBARN N=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1nccs1 ZINC000004580204 570909474 /nfs/dbraw/zinc/90/94/74/570909474.db2.gz CPJUPHRXQVILIV-PHUAOCSASA-N 0 0 398.425 4.367 50 5 GIBARN O=C(COc1ccc(Br)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 ZINC000004755463 570963562 /nfs/dbraw/zinc/96/35/62/570963562.db2.gz KMABJMQHIHUFBZ-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000004797901 570992245 /nfs/dbraw/zinc/99/22/45/570992245.db2.gz KGSNJARTBRDRPT-UHFFFAOYSA-N 0 0 377.400 4.232 50 5 GIBARN O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000012748475 570993738 /nfs/dbraw/zinc/99/37/38/570993738.db2.gz HDECONQUGJXOJC-NRFANRHFSA-N 0 0 393.468 4.243 50 5 GIBARN COc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c([N+](=O)[O-])cc1OC ZINC000012750437 571003180 /nfs/dbraw/zinc/00/31/80/571003180.db2.gz TXPQHLRRKMZSSR-UHFFFAOYSA-N 0 0 399.428 4.296 50 5 GIBARN CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000015608537 571029091 /nfs/dbraw/zinc/02/90/91/571029091.db2.gz HZQDAPLDXCNUBR-NSHDSACASA-N 0 0 375.812 4.029 50 5 GIBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002284853 817382690 /nfs/dbraw/zinc/38/26/90/817382690.db2.gz FSXAHBKIGRPHME-UHFFFAOYSA-N 0 0 383.455 4.392 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1cnnc1SCc1cccc2ccccc21 ZINC000002316098 817383882 /nfs/dbraw/zinc/38/38/82/817383882.db2.gz FYRKEIOCFHDNHU-UHFFFAOYSA-N 0 0 390.424 4.320 50 5 GIBARN Cc1nc2sc3c(c2c2nc(-c4ccc([N+](=O)[O-])cc4)nn21)CC(C)(C)OC3 ZINC000002365630 817385722 /nfs/dbraw/zinc/38/57/22/817385722.db2.gz BGVZZRBIERSWPD-UHFFFAOYSA-N 0 0 395.444 4.074 50 5 GIBARN CC(=O)Nc1nc(C)c(-c2csc(Nc3cccc([N+](=O)[O-])c3)n2)s1 ZINC000002502164 817391692 /nfs/dbraw/zinc/39/16/92/817391692.db2.gz VCGYNRNTEBKAIL-UHFFFAOYSA-N 0 0 375.435 4.185 50 5 GIBARN Cc1cc(C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c(C)n1CCc1ccc(F)cc1 ZINC000002662084 817397218 /nfs/dbraw/zinc/39/72/18/817397218.db2.gz DMRDTEAVEVGFGM-UHFFFAOYSA-N 0 0 398.438 4.091 50 5 GIBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccc(F)cc2C)c(C)c1[N+](=O)[O-] ZINC000002796445 817401041 /nfs/dbraw/zinc/40/10/41/817401041.db2.gz GRHHSNPSNWKNDU-UHFFFAOYSA-N 0 0 382.395 4.156 50 5 GIBARN COc1ccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c(C)c1 ZINC000002796599 817401101 /nfs/dbraw/zinc/40/11/01/817401101.db2.gz OZNFGSQCSCPAMI-UHFFFAOYSA-N 0 0 394.431 4.026 50 5 GIBARN O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1ccc([N+](=O)[O-])cc1 ZINC000002888834 817404318 /nfs/dbraw/zinc/40/43/18/817404318.db2.gz VTXKBOYKLJDCDC-UHFFFAOYSA-N 0 0 377.308 4.180 50 5 GIBARN O=[N+]([O-])c1cccc(CSc2nc3ccccc3c(NC[C@@H]3CCCO3)n2)c1 ZINC000002948680 817407928 /nfs/dbraw/zinc/40/79/28/817407928.db2.gz OFGCCFSDNBHZTF-INIZCTEOSA-N 0 0 396.472 4.421 50 5 GIBARN O=C(NCc1ccc(Cl)cc1)c1ccc2nc3ccc(Cl)cc3c(=O)n2c1 ZINC000002965675 817409372 /nfs/dbraw/zinc/40/93/72/817409372.db2.gz VQDXOKRSLJLFDD-UHFFFAOYSA-N 0 0 398.249 4.085 50 5 GIBARN O=C(COC(=O)c1ccccc1Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000003075278 817416886 /nfs/dbraw/zinc/41/68/86/817416886.db2.gz ZQDIRBXIISGOJZ-UHFFFAOYSA-N 0 0 376.368 4.378 50 5 GIBARN O=C(NC1c2ccccc2Oc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003085628 817417614 /nfs/dbraw/zinc/41/76/14/817417614.db2.gz LBIPOVADTLZOMA-UHFFFAOYSA-N 0 0 391.339 4.128 50 5 GIBARN CCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003128819 817418329 /nfs/dbraw/zinc/41/83/29/817418329.db2.gz FUHNPQZGCQMXEJ-UHFFFAOYSA-N 0 0 384.344 4.061 50 5 GIBARN O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000003122777 817418373 /nfs/dbraw/zinc/41/83/73/817418373.db2.gz BVGGLQALKCTCRK-AWEZNQCLSA-N 0 0 389.622 4.100 50 5 GIBARN Nc1c2ccc(-c3cccnc3)nc2sc1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003211977 817422698 /nfs/dbraw/zinc/42/26/98/817422698.db2.gz DRQGDOWHFYPIFM-UHFFFAOYSA-N 0 0 376.397 4.080 50 5 GIBARN CSc1nc2ccc(N[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000003250318 817428139 /nfs/dbraw/zinc/42/81/39/817428139.db2.gz XGDKOPYTSWQAOK-JTQLQIEISA-N 0 0 388.474 4.366 50 5 GIBARN O=C1CCC[C@H]1Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000003562703 817485158 /nfs/dbraw/zinc/48/51/58/817485158.db2.gz JOIYTWXQIJNFQR-QGZVFWFLSA-N 0 0 380.429 4.056 50 5 GIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc21 ZINC000004070156 817500682 /nfs/dbraw/zinc/50/06/82/817500682.db2.gz HBNSWSCKYLXXQK-UHFFFAOYSA-N 0 0 387.461 4.368 50 5 GIBARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000004120324 817505177 /nfs/dbraw/zinc/50/51/77/817505177.db2.gz JQVNFMCNOWWZAW-UHFFFAOYSA-N 0 0 383.473 4.265 50 5 GIBARN CC(C)c1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000007986188 817976383 /nfs/dbraw/zinc/97/63/83/817976383.db2.gz FDTLGTLEMFJEFY-BJMVGYQFSA-N 0 0 386.379 4.052 50 5 GIBARN CS(=O)(=O)c1ccc(Nc2cccc(/C=C/c3ccccn3)c2)c([N+](=O)[O-])c1 ZINC000008054224 817989888 /nfs/dbraw/zinc/98/98/88/817989888.db2.gz AXTRVTFMRYBISR-CMDGGOBGSA-N 0 0 395.440 4.307 50 5 GIBARN COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c([N+](=O)[O-])cc1OC(F)F ZINC000011287664 818068494 /nfs/dbraw/zinc/06/84/94/818068494.db2.gz RLIJWZVAGCHFSS-NYYWCZLTSA-N 0 0 396.733 4.351 50 5 GIBARN Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1[N+](=O)[O-] ZINC000012790262 818182093 /nfs/dbraw/zinc/18/20/93/818182093.db2.gz QYFQDFMIJPISOF-UHFFFAOYSA-N 0 0 381.413 4.214 50 5 GIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000012997179 818199240 /nfs/dbraw/zinc/19/92/40/818199240.db2.gz HDJUYWTWFLQTTB-NRFANRHFSA-N 0 0 397.475 4.468 50 5 GIBARN C[C@@H]1C[C@H]1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000020751705 818630550 /nfs/dbraw/zinc/63/05/50/818630550.db2.gz VJWGHXBQWAGDIY-JDSLSITLSA-N 0 0 388.807 4.127 50 5 GIBARN COCCCCN1C(=O)[C@H](Sc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058210299 823369104 /nfs/dbraw/zinc/36/91/04/823369104.db2.gz XINBQWSASDINCH-RTBURBONSA-N 0 0 386.473 4.066 50 5 GIBARN COc1cccc(-c2nc(Cn3cnc(-c4ccc([N+](=O)[O-])cc4)n3)cs2)c1 ZINC000058393715 823385471 /nfs/dbraw/zinc/38/54/71/823385471.db2.gz GKAGDPNNMRECLF-UHFFFAOYSA-N 0 0 393.428 4.034 50 5 GIBARN CC(=O)c1csc(NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)n1 ZINC000040131708 821145135 /nfs/dbraw/zinc/14/51/35/821145135.db2.gz HKRSFZPVEQTQSK-UHFFFAOYSA-N 0 0 383.385 4.299 50 5 GIBARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000004955208 209120394 /nfs/dbraw/zinc/12/03/94/209120394.db2.gz DTCGYGISOJIBDC-UHFFFAOYSA-N 0 0 394.339 4.301 50 5 GIBARN CN(C(=O)/C=C\c1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2ccccc21 ZINC000096911761 206301872 /nfs/dbraw/zinc/30/18/72/206301872.db2.gz WWHQMEUBLCAFRU-GDCKJWNLSA-N 0 0 394.427 4.011 50 5 GIBARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000663075 206314734 /nfs/dbraw/zinc/31/47/34/206314734.db2.gz PRNANZDFULFKHN-UHFFFAOYSA-N 0 0 382.397 4.362 50 5 GIBARN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC000000792955 206322146 /nfs/dbraw/zinc/32/21/46/206322146.db2.gz CQYRLCWWSVXWCF-HUUCEWRRSA-N 0 0 390.461 4.054 50 5 GIBARN O=C(N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000000837015 206326614 /nfs/dbraw/zinc/32/66/14/206326614.db2.gz VTDXLPAXQZYBJS-AWEZNQCLSA-N 0 0 389.622 4.100 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1c2ccccc2Oc2ccccc21 ZINC000000851845 206328232 /nfs/dbraw/zinc/32/82/32/206328232.db2.gz JKRLBLUQSNBDMC-UHFFFAOYSA-N 0 0 376.368 4.480 50 5 GIBARN CCc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)c(C)c2oc1=O ZINC000001135529 206357841 /nfs/dbraw/zinc/35/78/41/206357841.db2.gz BBSHJCDVMULMHY-UHFFFAOYSA-N 0 0 383.400 4.468 50 5 GIBARN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1[N+](=O)[O-] ZINC000001076275 206349249 /nfs/dbraw/zinc/34/92/49/206349249.db2.gz VOIZTUHSGYOFRD-UHFFFAOYSA-N 0 0 389.839 4.499 50 5 GIBARN Cc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 ZINC000001079177 206349902 /nfs/dbraw/zinc/34/99/02/206349902.db2.gz CKUCWWGYZHBERP-UHFFFAOYSA-N 0 0 380.404 4.004 50 5 GIBARN Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000001401296 206379309 /nfs/dbraw/zinc/37/93/09/206379309.db2.gz VODCDDLPMSPNJT-UHFFFAOYSA-N 0 0 392.202 4.043 50 5 GIBARN CCN(CC)c1cccc(Oc2nc([N+](=O)[O-])nn2Cc2ccccc2F)c1 ZINC000001430436 206380463 /nfs/dbraw/zinc/38/04/63/206380463.db2.gz DYZHDFDVXVOOGU-UHFFFAOYSA-N 0 0 385.399 4.012 50 5 GIBARN Cn1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000001144343 206359298 /nfs/dbraw/zinc/35/92/98/206359298.db2.gz ZVUPADFRXKAAJF-VCHYOVAHSA-N 0 0 393.424 4.323 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc(-c3noc(-c4ccco4)n3)cc2)cc1[N+](=O)[O-] ZINC000001162484 206362709 /nfs/dbraw/zinc/36/27/09/206362709.db2.gz JPRVCOKRUFYEQF-UHFFFAOYSA-N 0 0 390.355 4.466 50 5 GIBARN Cc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000001184972 206365644 /nfs/dbraw/zinc/36/56/44/206365644.db2.gz ANBRQEGWGVFXQC-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000001228882 206369489 /nfs/dbraw/zinc/36/94/89/206369489.db2.gz DMWYFDARMJTDSQ-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN CCOc1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000001747576 206392048 /nfs/dbraw/zinc/39/20/48/206392048.db2.gz RPGNFKMLBPXTGN-UHFFFAOYSA-N 0 0 385.405 4.156 50 5 GIBARN Cc1ccc(Cn2c3ncn(CC(C)C)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000002252942 206403978 /nfs/dbraw/zinc/40/39/78/206403978.db2.gz OBYQCFLAIFOBQY-UHFFFAOYSA-N 0 0 397.482 4.307 50 5 GIBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1C1CCCC1 ZINC000002245713 206404976 /nfs/dbraw/zinc/40/49/76/206404976.db2.gz HRHNSECQQQWSPB-UHFFFAOYSA-N 0 0 385.427 4.051 50 5 GIBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002323224 206409991 /nfs/dbraw/zinc/40/99/91/206409991.db2.gz GGKMFRLNQGBIOR-UHFFFAOYSA-N 0 0 387.418 4.223 50 5 GIBARN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC ZINC000002819199 206438625 /nfs/dbraw/zinc/43/86/25/206438625.db2.gz DBHVXFWECUTERC-UHFFFAOYSA-N 0 0 385.420 4.293 50 5 GIBARN COP(=O)(OC)[C@@H](Nc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000002883921 206443083 /nfs/dbraw/zinc/44/30/83/206443083.db2.gz HZXMWYLWYADGTM-OAHLLOKOSA-N 0 0 381.281 4.100 50 5 GIBARN Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000003198110 206461384 /nfs/dbraw/zinc/46/13/84/206461384.db2.gz DTZUCRSCDMLYEL-UHFFFAOYSA-N 0 0 376.290 4.132 50 5 GIBARN O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc2ccccc21 ZINC000003230167 206461899 /nfs/dbraw/zinc/46/18/99/206461899.db2.gz YQELZJTYXBBGIH-UHFFFAOYSA-N 0 0 384.775 4.197 50 5 aggregator GIBARN C[C@H](Oc1ccc(Cl)cc1Br)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003510309 206484479 /nfs/dbraw/zinc/48/44/79/206484479.db2.gz PWAFWLYGFSNYHY-VIFPVBQESA-N 0 0 399.628 4.417 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000004819629 206557661 /nfs/dbraw/zinc/55/76/61/206557661.db2.gz IDMTZCCKIOAMLI-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN COc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000005028004 206584924 /nfs/dbraw/zinc/58/49/24/206584924.db2.gz JYGKXXFJSMVGKG-UHFFFAOYSA-N 0 0 389.839 4.499 50 5 GIBARN O=C(Nc1ccccc1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027993 206585237 /nfs/dbraw/zinc/58/52/37/206585237.db2.gz SJTQVZRKKZWALH-UHFFFAOYSA-N 0 0 394.475 4.438 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O ZINC000005215862 206600103 /nfs/dbraw/zinc/60/01/03/206600103.db2.gz BQNAKANKUXZSIJ-UHFFFAOYSA-N 0 0 389.846 4.347 50 5 GIBARN CC(C)Cn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21 ZINC000009328687 206783996 /nfs/dbraw/zinc/78/39/96/206783996.db2.gz ANPLOHVHTYLEFK-UHFFFAOYSA-N 0 0 389.415 4.401 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000010985704 206819341 /nfs/dbraw/zinc/81/93/41/206819341.db2.gz NJTCLCDSQFXFTD-UHFFFAOYSA-N 0 0 398.444 4.066 50 5 GIBARN O=[N+]([O-])c1ccc(OC[C@H](O)COc2cc(Cl)ccc2Cl)c(Cl)c1 ZINC000012997097 206962511 /nfs/dbraw/zinc/96/25/11/206962511.db2.gz WUCFUIATAZMXGO-NSHDSACASA-N 0 0 392.622 4.374 50 5 GIBARN Cc1c(Cl)cccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1 ZINC000013880554 207004818 /nfs/dbraw/zinc/00/48/18/207004818.db2.gz QKSSWSVJAYUZMV-CMDGGOBGSA-N 0 0 375.837 4.083 50 5 GIBARN CN1c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Sc2ccccc2C1=O ZINC000015826043 207061929 /nfs/dbraw/zinc/06/19/29/207061929.db2.gz INDYAFDJEQIKRP-UHFFFAOYSA-N 0 0 395.396 4.181 50 5 GIBARN CCOc1ccccc1/C=C1/SC(=O)N(CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000017145719 207086237 /nfs/dbraw/zinc/08/62/37/207086237.db2.gz CHFKLVNQQGNQJI-LICLKQGHSA-N 0 0 399.428 4.099 50 5 GIBARN O=[N+]([O-])c1cnn(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 ZINC000017077908 207082832 /nfs/dbraw/zinc/08/28/32/207082832.db2.gz FSNVNOZOHZQNDK-UHFFFAOYSA-N 0 0 381.342 4.106 50 5 GIBARN O=c1oc2c(ccc3c2CN(Cc2ccc4c(c2)OCO4)CO3)c2ccccc12 ZINC000019882437 207167515 /nfs/dbraw/zinc/16/75/15/207167515.db2.gz XEJFUWGCSWWXHU-UHFFFAOYSA-N 0 0 387.391 4.027 50 5 GIBARN CCOc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)NC(c1ccncc1)=N2 ZINC000020447262 207192867 /nfs/dbraw/zinc/19/28/67/207192867.db2.gz HAGPMPNNSUFLDL-UHFFFAOYSA-N 0 0 387.399 4.339 50 5 GIBARN O=[N+]([O-])c1cc(-c2nc(-c3ccncc3)no2)ccc1NCCc1ccccc1 ZINC000020898049 207217589 /nfs/dbraw/zinc/21/75/89/207217589.db2.gz JISPIQOFOMFTFH-UHFFFAOYSA-N 0 0 387.399 4.361 50 5 GIBARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000020897431 207218206 /nfs/dbraw/zinc/21/82/06/207218206.db2.gz FFSYMWNAXIVEQG-GFCCVEGCSA-N 0 0 389.477 4.220 50 5 GIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cccc(Cl)c1Cl ZINC000021091538 207225816 /nfs/dbraw/zinc/22/58/16/207225816.db2.gz HXINYVWVTTZBAB-MRXNPFEDSA-N 0 0 380.187 4.141 50 5 GIBARN Cc1nn(Cc2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2)c(C)c1[N+](=O)[O-] ZINC000024236509 207288576 /nfs/dbraw/zinc/28/85/76/207288576.db2.gz COBMRMXGTXSNMP-CQSZACIVSA-N 0 0 398.488 4.351 50 5 GIBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1Br ZINC000025201267 207301861 /nfs/dbraw/zinc/30/18/61/207301861.db2.gz DNGXXNJFPSOBNC-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN C[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000027742255 207330832 /nfs/dbraw/zinc/33/08/32/207330832.db2.gz NOJNPWAVDJUUQI-NSHDSACASA-N 0 0 395.278 4.327 50 5 GIBARN CCc1ccc(CN(C(=O)COc2ccccc2[N+](=O)[O-])c2ccccn2)cc1 ZINC000027584610 207327673 /nfs/dbraw/zinc/32/76/73/207327673.db2.gz FTKGWNPAYBMRQR-UHFFFAOYSA-N 0 0 391.427 4.164 50 5 GIBARN Cc1sc2nc(SCc3cccc([N+](=O)[O-])c3C)n(C)c(=O)c2c1C ZINC000040122978 207342853 /nfs/dbraw/zinc/34/28/53/207342853.db2.gz HSDOGEUUQNRUEB-UHFFFAOYSA-N 0 0 375.475 4.121 50 5 GIBARN CN(C(=O)COc1cc(F)ccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000035474293 207491131 /nfs/dbraw/zinc/49/11/31/207491131.db2.gz DDAPRPUOWZIOIR-UHFFFAOYSA-N 0 0 394.402 4.361 50 5 GIBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N[C@@H]3CCCC[C@H]3C)c12 ZINC000036618363 207533554 /nfs/dbraw/zinc/53/35/54/207533554.db2.gz UYUMWNUVVKLWPC-SJKOYZFVSA-N 0 0 394.431 4.415 50 5 GIBARN O=[N+]([O-])c1c(NCCNc2ncccc2C(F)(F)F)ccc2ncccc21 ZINC000058201821 207768509 /nfs/dbraw/zinc/76/85/09/207768509.db2.gz QZWXDUBMIKMALA-UHFFFAOYSA-N 0 0 377.326 4.081 50 5 GIBARN O=C1[C@H](Sc2ncc(-c3ccc(F)cc3)o2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000078768401 208064025 /nfs/dbraw/zinc/06/40/25/208064025.db2.gz FQDIVUJRJBTMEA-QGZVFWFLSA-N 0 0 399.403 4.287 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000095349150 208154581 /nfs/dbraw/zinc/15/45/81/208154581.db2.gz VPXFZCIWATYQLZ-UHFFFAOYSA-N 0 0 391.221 4.036 50 5 GIBARN CC(C)CC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000096275790 208299845 /nfs/dbraw/zinc/29/98/45/208299845.db2.gz VZWQLAPURGENFE-SFHVURJKSA-N 0 0 394.431 4.091 50 5 GIBARN CC[C@H](C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1 ZINC000096276221 208299998 /nfs/dbraw/zinc/29/99/98/208299998.db2.gz GWCLVCWTAXGMBV-GUYCJALGSA-N 0 0 380.404 4.162 50 5 GIBARN CC[C@H](C)[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277335 208300693 /nfs/dbraw/zinc/30/06/93/208300693.db2.gz NWYRJAQXMBCWCV-GUYCJALGSA-N 0 0 380.404 4.162 50 5 GIBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000102784042 208411087 /nfs/dbraw/zinc/41/10/87/208411087.db2.gz MCXCYBTUVPSLOJ-IAGOWNOFSA-N 0 0 397.406 4.026 50 5 GIBARN COc1ccccc1-c1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000048365067 208448206 /nfs/dbraw/zinc/44/82/06/208448206.db2.gz FNIIHGPIPMVPCZ-UHFFFAOYSA-N 0 0 387.417 4.215 50 5 GIBARN Cc1cc(C2=N/C(=C/c3ccccc3Br)C(=O)O2)ccc1[N+](=O)[O-] ZINC000003309041 208511870 /nfs/dbraw/zinc/51/18/70/208511870.db2.gz KJCWLBKDFMZGOJ-NTEUORMPSA-N 0 0 387.189 4.010 50 5 GIBARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004176293 208538263 /nfs/dbraw/zinc/53/82/63/208538263.db2.gz XFYNKKOIQDUSRE-UHFFFAOYSA-N 0 0 382.397 4.362 50 5 GIBARN Cc1nn(CC(=O)OCc2sc3ccccc3c2Cl)c(C)c1[N+](=O)[O-] ZINC000021837726 208827401 /nfs/dbraw/zinc/82/74/01/208827401.db2.gz PORWBLBLUMAKQC-UHFFFAOYSA-N 0 0 379.825 4.020 50 5 GIBARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cccc([N+](=O)[O-])c1 ZINC000097992389 209014868 /nfs/dbraw/zinc/01/48/68/209014868.db2.gz DOYFZSWZUCTQBL-WQLSENKSSA-N 0 0 387.317 4.268 50 5 GIBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000058023008 136154338 /nfs/dbraw/zinc/15/43/38/136154338.db2.gz JBENFTUUDVLMAO-UHFFFAOYSA-N 0 0 391.431 4.023 50 5 GIBARN Cc1ccc(N2CCN(C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1Cl ZINC000004881522 136194109 /nfs/dbraw/zinc/19/41/09/136194109.db2.gz JOJOMZCTXYAQLL-UHFFFAOYSA-N 0 0 394.258 4.172 50 5 GIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1N1CCCCC1=O ZINC000005441753 136194900 /nfs/dbraw/zinc/19/49/00/136194900.db2.gz VKOQRBSLNQSVSU-UHFFFAOYSA-N 0 0 387.823 4.326 50 5 GIBARN Cc1nc(COc2ccc(C)cc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013002208 518192632 /nfs/dbraw/zinc/19/26/32/518192632.db2.gz BXRFQHZYNQXMES-UHFFFAOYSA-N 0 0 383.429 4.499 50 5 GIBARN CC12CN3CC(C)(CN(C1)C3c1cc3cc4ccccc4cc3nc1Cl)C2O ZINC000079496382 520788120 /nfs/dbraw/zinc/78/81/20/520788120.db2.gz QCCPVOJRUVIUDH-UHFFFAOYSA-N 0 0 393.918 4.058 50 5 GIBARN O=C(c1cc(F)ccc1F)C1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000047797007 570215399 /nfs/dbraw/zinc/21/53/99/570215399.db2.gz LNAIQAFUEYNOTA-UHFFFAOYSA-N 0 0 378.350 4.107 50 5 GIBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000048274594 570229605 /nfs/dbraw/zinc/22/96/05/570229605.db2.gz PDDTWMWPSOQNKN-ICSRJNTNSA-N 0 0 381.432 4.122 50 5 GIBARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000011612199 570234859 /nfs/dbraw/zinc/23/48/59/570234859.db2.gz OMKJPDITXPDVKY-UHFFFAOYSA-N 0 0 382.397 4.362 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 ZINC000011620997 570237765 /nfs/dbraw/zinc/23/77/65/570237765.db2.gz IDJHFGDGVNTJEV-UHFFFAOYSA-N 0 0 388.855 4.207 50 5 GIBARN COC[C@H](C)n1c(C)cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000006062217 570247612 /nfs/dbraw/zinc/24/76/12/570247612.db2.gz VNOTUKPLSRMNSV-LBPRGKRZSA-N 0 0 380.828 4.136 50 5 GIBARN CCOCCCNC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F ZINC000024735368 570287276 /nfs/dbraw/zinc/28/72/76/570287276.db2.gz BSTWXHOKGOKXTH-UHFFFAOYSA-N 0 0 378.425 4.042 50 5 GIBARN Cc1ccc([C@@H](NC(=O)COc2ccc([N+](=O)[O-])cc2)c2cccs2)cc1 ZINC000012918622 570293347 /nfs/dbraw/zinc/29/33/47/570293347.db2.gz WUUWHFZAEKJZFS-HXUWFJFHSA-N 0 0 382.441 4.249 50 5 GIBARN COc1cccc2c3nc(-c4ccc(Cl)cc4)nc(NC(C)=O)c3c(=O)oc12 ZINC000014415333 570310649 /nfs/dbraw/zinc/31/06/49/570310649.db2.gz VWIHGWBGBUBLEJ-UHFFFAOYSA-N 0 0 395.802 4.024 50 5 GIBARN COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nccn1C ZINC000053599783 570326238 /nfs/dbraw/zinc/32/62/38/570326238.db2.gz UESJFLVLNXHEGE-FQEVSTJZSA-N 0 0 389.415 4.087 50 5 GIBARN O=C(Nc1cc(Cl)ccc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006224681 570344203 /nfs/dbraw/zinc/34/42/03/570344203.db2.gz XVZSBOVZFOIIIB-UHFFFAOYSA-N 0 0 389.673 4.428 50 5 GIBARN Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1Cl ZINC000006225562 570344269 /nfs/dbraw/zinc/34/42/69/570344269.db2.gz LCKOMABEMNKKJG-UHFFFAOYSA-N 0 0 396.259 4.166 50 5 GIBARN COc1ccc2[nH]c(=O)c(-c3c4c[nH]nc4nc4c5ccc(O)cc5oc43)cc2c1 ZINC000217739254 570371607 /nfs/dbraw/zinc/37/16/07/570371607.db2.gz CFVBWQNIGKFDSU-UHFFFAOYSA-N 0 0 398.378 4.080 50 5 GIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc21 ZINC000004950310 570379841 /nfs/dbraw/zinc/37/98/41/570379841.db2.gz LMUXSCDLVCNTSD-UHFFFAOYSA-N 0 0 399.211 4.218 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 ZINC000005025727 570398544 /nfs/dbraw/zinc/39/85/44/570398544.db2.gz YHBQHYVJLAAZRN-UHFFFAOYSA-N 0 0 393.428 4.182 50 5 GIBARN O=C(Nc1cccc2ncccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000005027973 570398949 /nfs/dbraw/zinc/39/89/49/570398949.db2.gz FXULUUFWTGSIRX-UHFFFAOYSA-N 0 0 376.416 4.386 50 5 GIBARN CCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000006396125 570403583 /nfs/dbraw/zinc/40/35/83/570403583.db2.gz OAJYXSOIRDECSS-UHFFFAOYSA-N 0 0 379.372 4.456 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCC(Cc2ccccc2)CC1 ZINC000005041353 570404333 /nfs/dbraw/zinc/40/43/33/570404333.db2.gz LSZTYVVRLVEWHO-UHFFFAOYSA-N 0 0 385.489 4.255 50 5 GIBARN O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1csc([N+](=O)[O-])c1 ZINC000044370887 570440541 /nfs/dbraw/zinc/44/05/41/570440541.db2.gz PHFCCNLJNIOERP-UHFFFAOYSA-N 0 0 397.243 4.460 50 5 GIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(C(F)(F)F)c3)nc21 ZINC000005192624 570499424 /nfs/dbraw/zinc/49/94/24/570499424.db2.gz OBFPWZRULHDGKC-UHFFFAOYSA-N 0 0 397.334 4.484 50 5 GIBARN Cc1cccc([C@H]2N[C@@H](c3cccc(C)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1 ZINC000033920716 570506948 /nfs/dbraw/zinc/50/69/48/570506948.db2.gz OGCYJIVSWQMNJB-JVSBHGNQSA-N 0 0 383.448 4.006 50 5 GIBARN O=Cc1cc(Cl)cc(Cl)c1OCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000006647636 570515400 /nfs/dbraw/zinc/51/54/00/570515400.db2.gz WBGIJHHGGGNEFL-UHFFFAOYSA-N 0 0 384.171 4.160 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005269395 570544731 /nfs/dbraw/zinc/54/47/31/570544731.db2.gz BPCQWDZMMVEXSL-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O ZINC000005269910 570545928 /nfs/dbraw/zinc/54/59/28/570545928.db2.gz MFEWARBBGHOXPP-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN CC(C)c1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 ZINC000005270687 570546812 /nfs/dbraw/zinc/54/68/12/570546812.db2.gz OJCGNYZRHXCYIO-UHFFFAOYSA-N 0 0 391.427 4.181 50 5 GIBARN CC(C)NS(=O)(=O)c1ccc(N[C@H](C)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000006790644 570596592 /nfs/dbraw/zinc/59/65/92/570596592.db2.gz NUFUVNIJJKTOAK-GFCCVEGCSA-N 0 0 397.884 4.108 50 5 GIBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1Cl)c1cc(F)c(F)cc1Cl ZINC000004599325 570621312 /nfs/dbraw/zinc/62/13/12/570621312.db2.gz AMAJBGDNDWMKGP-UHFFFAOYSA-N 0 0 390.173 4.022 50 5 GIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000005584304 570661652 /nfs/dbraw/zinc/66/16/52/570661652.db2.gz IBELHTXFBNPHNU-UHFFFAOYSA-N 0 0 381.624 4.356 50 5 GIBARN Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cn2)c1 ZINC000036390767 570672457 /nfs/dbraw/zinc/67/24/57/570672457.db2.gz CODRBBDQWJLWCB-UHFFFAOYSA-N 0 0 377.400 4.329 50 5 GIBARN CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013758063 570675352 /nfs/dbraw/zinc/67/53/52/570675352.db2.gz QGWBTBMVHBCSAA-UHFFFAOYSA-N 0 0 393.443 4.187 50 5 GIBARN Cc1cc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332694 570705943 /nfs/dbraw/zinc/70/59/43/570705943.db2.gz LTEYPEUEJYIGRP-FQEVSTJZSA-N 0 0 389.415 4.027 50 5 GIBARN O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006942369 570715378 /nfs/dbraw/zinc/71/53/78/570715378.db2.gz 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CCOC(=O)c1c(C)c(C)sc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001200135 570793636 /nfs/dbraw/zinc/79/36/36/570793636.db2.gz UNIBMDUMJDBBKL-UHFFFAOYSA-N 0 0 382.825 4.356 50 5 GIBARN CCc1cc2c(ncnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1 ZINC000007166257 570808704 /nfs/dbraw/zinc/80/87/04/570808704.db2.gz DBUFIZLZHCNPNU-UHFFFAOYSA-N 0 0 389.458 4.321 50 5 GIBARN Cc1ccc(Oc2ccc(NC(=O)COc3ccc(C)nc3[N+](=O)[O-])cc2)cc1 ZINC000005970520 570810133 /nfs/dbraw/zinc/81/01/33/570810133.db2.gz XCADUJYVTCXVKC-UHFFFAOYSA-N 0 0 393.399 4.416 50 5 GIBARN COc1ccc(C(=O)c2ccccc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000004662533 570812020 /nfs/dbraw/zinc/81/20/20/570812020.db2.gz QORSGBRAYKYAAK-UHFFFAOYSA-N 0 0 377.352 4.054 50 5 GIBARN C[C@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012516889 570826091 /nfs/dbraw/zinc/82/60/91/570826091.db2.gz CIKKENJPMJTFEN-OAHLLOKOSA-N 0 0 385.439 4.170 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)ccc1Cl ZINC000004689099 570828550 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CCOc1ccccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000005199943 570501158 /nfs/dbraw/zinc/50/11/58/570501158.db2.gz TUJNUAMHKHSIJA-OAHLLOKOSA-N 0 0 383.448 4.482 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2Cl)c1=O ZINC000005215886 570512511 /nfs/dbraw/zinc/51/25/11/570512511.db2.gz SJPQVICNCDSDII-UHFFFAOYSA-N 0 0 389.846 4.347 50 5 GIBARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1 ZINC000006646769 570515481 /nfs/dbraw/zinc/51/54/81/570515481.db2.gz DZFAMHVBSLEXMD-UHFFFAOYSA-N 0 0 396.428 4.237 50 5 GIBARN CCOc1ccc(-c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)nn1 ZINC000005259671 570533356 /nfs/dbraw/zinc/53/33/56/570533356.db2.gz BAESITSHLSLSCS-UHFFFAOYSA-N 0 0 378.388 4.011 50 5 GIBARN Cc1nc(Nc2ccc(O)cc2C)c([N+](=O)[O-])c(Nc2ccc(O)cc2C)n1 ZINC000005336901 570556459 /nfs/dbraw/zinc/55/64/59/570556459.db2.gz LTKCHAUTVCCSEC-UHFFFAOYSA-N 0 0 381.392 4.208 50 5 GIBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1C1CCCC1 ZINC000005353609 570559941 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GIBARN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000005568332 570646431 /nfs/dbraw/zinc/64/64/31/570646431.db2.gz RRJPKLVJOUZWPB-UHFFFAOYSA-N 0 0 381.624 4.356 50 5 GIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1ccc(Cl)cc1Cl ZINC000006883665 570678812 /nfs/dbraw/zinc/67/88/12/570678812.db2.gz SQVKJTFRAXZLPO-RIYZIHGNSA-N 0 0 378.171 4.159 50 5 GIBARN Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2cccc(C)c2n1 ZINC000000878156 570692546 /nfs/dbraw/zinc/69/25/46/570692546.db2.gz TYYJHYBMMCYGJZ-UHFFFAOYSA-N 0 0 398.802 4.453 50 5 GIBARN COc1ccccc1-c1ccc(SCC(=O)c2ccc([N+](=O)[O-])cc2)nn1 ZINC000004356228 570695208 /nfs/dbraw/zinc/69/52/08/570695208.db2.gz KEFGXPBZSVLTHI-UHFFFAOYSA-N 0 0 381.413 4.035 50 5 GIBARN CCN(C(=O)COc1ccc(OC)cc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000007007199 570739493 /nfs/dbraw/zinc/73/94/93/570739493.db2.gz SSTPPHDDXNPEKD-UHFFFAOYSA-N 0 0 380.400 4.189 50 5 GIBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1c(CC)ccc2C ZINC000001100684 570753556 /nfs/dbraw/zinc/75/35/56/570753556.db2.gz IEOGGQGKYJQJDT-UHFFFAOYSA-N 0 0 380.400 4.126 50 5 GIBARN O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000001122814 570754711 /nfs/dbraw/zinc/75/47/11/570754711.db2.gz JFFFDQOPFQRJEG-UHFFFAOYSA-N 0 0 398.596 4.050 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000001175576 570787631 /nfs/dbraw/zinc/78/76/31/570787631.db2.gz MABGLLZPBOCJGA-UHFFFAOYSA-N 0 0 385.383 4.095 50 5 GIBARN CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004459615 570790437 /nfs/dbraw/zinc/79/04/37/570790437.db2.gz FYYGSYZWKGUACA-AWNIVKPZSA-N 0 0 393.487 4.254 50 5 GIBARN CC(C)c1ccccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 ZINC000005673345 570798680 /nfs/dbraw/zinc/79/86/80/570798680.db2.gz NTWHDTZWNGGBNB-UHFFFAOYSA-N 0 0 397.460 4.250 50 5 GIBARN Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000005969982 570810105 /nfs/dbraw/zinc/81/01/05/570810105.db2.gz FGEWLVVFJSUOFR-OAHLLOKOSA-N 0 0 393.399 4.497 50 5 GIBARN O=C(CCSc1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000004496805 570812881 /nfs/dbraw/zinc/81/28/81/570812881.db2.gz JBJQGBNQSWHQTG-UHFFFAOYSA-N 0 0 377.422 4.465 50 5 GIBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004688219 570828158 /nfs/dbraw/zinc/82/81/58/570828158.db2.gz DHSXAZJFWALEHB-UHFFFAOYSA-N 0 0 383.492 4.140 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000032817215 570830582 /nfs/dbraw/zinc/83/05/82/570830582.db2.gz MKTKSFHCNSJGJY-UHFFFAOYSA-N 0 0 390.321 4.360 50 5 GIBARN COc1cc2c(cc1NC(=O)CCCn1cc([N+](=O)[O-])cn1)oc1ccccc12 ZINC000004689479 570834951 /nfs/dbraw/zinc/83/49/51/570834951.db2.gz WWZMTOVNSYASHG-UHFFFAOYSA-N 0 0 394.387 4.118 50 5 GIBARN O=[N+]([O-])c1cn(Cc2csc(CCc3ccccc3)n2)nc1C(F)(F)F ZINC000170596265 570854710 /nfs/dbraw/zinc/85/47/10/570854710.db2.gz QVBZTUFIELLWPJ-UHFFFAOYSA-N 0 0 382.367 4.100 50 5 GIBARN C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000032855845 570855179 /nfs/dbraw/zinc/85/51/79/570855179.db2.gz BHOCMFNVPMKCMB-SNVBAGLBSA-N 0 0 391.334 4.463 50 5 GIBARN CSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000102678733 570858205 /nfs/dbraw/zinc/85/82/05/570858205.db2.gz MPVFBJMZQRZTGO-HNNXBMFYSA-N 0 0 385.449 4.216 50 5 GIBARN CC(C)c1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004725103 570862593 /nfs/dbraw/zinc/86/25/93/570862593.db2.gz WFTOLXCVOULYRZ-UHFFFAOYSA-N 0 0 377.853 4.498 50 5 GIBARN C[C@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170616190 570873755 /nfs/dbraw/zinc/87/37/55/570873755.db2.gz NKLLAOAXXIHKEZ-JTQLQIEISA-N 0 0 388.225 4.316 50 5 GIBARN CCCCN(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)C1CCCC1 ZINC000103064827 570874864 /nfs/dbraw/zinc/87/48/64/570874864.db2.gz WXIWFMYNPIORFQ-UHFFFAOYSA-N 0 0 386.452 4.006 50 5 GIBARN CCNc1cc(N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)ccc1[N+](=O)[O-] ZINC000004740942 570954940 /nfs/dbraw/zinc/95/49/40/570954940.db2.gz OEFMZXDMNCZDRU-UHFFFAOYSA-N 0 0 396.491 4.112 50 5 GIBARN Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl ZINC000004741192 570955838 /nfs/dbraw/zinc/95/58/38/570955838.db2.gz WMCPTZBMTRPROP-UHFFFAOYSA-N 0 0 394.258 4.172 50 5 GIBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cn1 ZINC000054702748 570997551 /nfs/dbraw/zinc/99/75/51/570997551.db2.gz WQSLUHVKTJRHMJ-SFHVURJKSA-N 0 0 380.791 4.414 50 5 GIBARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000012765822 571015537 /nfs/dbraw/zinc/01/55/37/571015537.db2.gz MQYMUCMTYBZHCJ-GFCCVEGCSA-N 0 0 387.461 4.146 50 5 GIBARN Cc1cccc(-n2c3ncn(CC(C)C)c(=O)c3c3nc4ccccc4nc32)c1 ZINC000002255451 817381814 /nfs/dbraw/zinc/38/18/14/817381814.db2.gz MRNXEMQGKKYJCT-UHFFFAOYSA-N 0 0 383.455 4.248 50 5 GIBARN COc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2-c2ccccc2)cc1 ZINC000002363675 817385551 /nfs/dbraw/zinc/38/55/51/817385551.db2.gz DRYOVDDIPSEMFE-UHFFFAOYSA-N 0 0 396.402 4.168 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000002618170 817392935 /nfs/dbraw/zinc/39/29/35/817392935.db2.gz QDJKZYJFXIEBQJ-UHFFFAOYSA-N 0 0 391.355 4.014 50 5 GIBARN CCn1c2ccccc2c2cc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)ccc21 ZINC000002632393 817394711 /nfs/dbraw/zinc/39/47/11/817394711.db2.gz JDGVARAMFQPALH-UHFFFAOYSA-N 0 0 391.431 4.175 50 5 GIBARN COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2-c1ccccc1 ZINC000002733604 817398933 /nfs/dbraw/zinc/39/89/33/817398933.db2.gz SMDFTUZWILNMHN-UHFFFAOYSA-N 0 0 388.383 4.091 50 5 GIBARN CCOc1ccc2nc(NC(=O)CSc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000002726356 817398951 /nfs/dbraw/zinc/39/89/51/817398951.db2.gz QJBOGGUOMLNELU-UHFFFAOYSA-N 0 0 389.458 4.334 50 5 GIBARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000002835752 817402627 /nfs/dbraw/zinc/40/26/27/817402627.db2.gz CVPOKWPARGNDDD-UHFFFAOYSA-N 0 0 390.421 4.130 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3c(NC[C@@H]3CCCO3)n2)cc1 ZINC000002948694 817407996 /nfs/dbraw/zinc/40/79/96/817407996.db2.gz JBGKAXHIANDMHA-INIZCTEOSA-N 0 0 396.472 4.421 50 5 GIBARN CC(C)[C@@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002965400 817409275 /nfs/dbraw/zinc/40/92/75/817409275.db2.gz VQVQXCQBLFOLTC-KRWDZBQOSA-N 0 0 394.456 4.143 50 5 GIBARN O=C(Nc1ccccc1)[C@H](C(=O)c1ccccc1)[C@H](C[N+](=O)[O-])c1ccccc1 ZINC000003201266 817421428 /nfs/dbraw/zinc/42/14/28/817421428.db2.gz VXVZXDKQCWZUDQ-RTWAWAEBSA-N 0 0 388.423 4.185 50 5 GIBARN COc1cc(OC)cc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)c1 ZINC000004079329 817501140 /nfs/dbraw/zinc/50/11/40/817501140.db2.gz VAUIWELWQRNVQK-UHFFFAOYSA-N 0 0 391.430 4.049 50 5 GIBARN COC(=O)c1ccc(COc2cc(O)c3c(c2)oc2c(C)cccc2c3=O)cc1 ZINC000004085388 817501845 /nfs/dbraw/zinc/50/18/45/817501845.db2.gz VLSGSACLFIAQMU-UHFFFAOYSA-N 0 0 390.391 4.326 50 5 GIBARN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000004090951 817503477 /nfs/dbraw/zinc/50/34/77/817503477.db2.gz BWXLJXNEHKHCSQ-KRXBUXKQSA-N 0 0 396.255 4.428 50 5 GIBARN O=C(Nc1ccccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004122627 817505732 /nfs/dbraw/zinc/50/57/32/817505732.db2.gz NRXDYYHQGCSDMO-UHFFFAOYSA-N 0 0 380.448 4.048 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004125129 817505825 /nfs/dbraw/zinc/50/58/25/817505825.db2.gz QNVXIZKZOFZMAK-UHFFFAOYSA-N 0 0 397.519 4.158 50 5 GIBARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000004176295 817508809 /nfs/dbraw/zinc/50/88/09/817508809.db2.gz WNGQERUTZFRMDT-UHFFFAOYSA-N 0 0 388.426 4.424 50 5 GIBARN C[C@H]1C[C@H](C)CN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])C1 ZINC000004264094 817514390 /nfs/dbraw/zinc/51/43/90/817514390.db2.gz LYIIIUYETRXFHT-HOTGVXAUSA-N 0 0 377.444 4.381 50 5 GIBARN O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000004311538 817519608 /nfs/dbraw/zinc/51/96/08/817519608.db2.gz NQZIVDGKGZRYII-UHFFFAOYSA-N 0 0 395.459 4.354 50 5 GIBARN O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000005101522 817551559 /nfs/dbraw/zinc/55/15/59/817551559.db2.gz BSQHIOWKCXZJEM-UHFFFAOYSA-N 0 0 381.624 4.356 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000007889740 817952961 /nfs/dbraw/zinc/95/29/61/817952961.db2.gz HHIBRXWQPXVAKG-LJQANCHMSA-N 0 0 386.404 4.080 50 5 GIBARN COc1cccc(NC(=O)[C@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000008211264 818018806 /nfs/dbraw/zinc/01/88/06/818018806.db2.gz WVSAIJIEZFTICZ-HXUWFJFHSA-N 0 0 377.400 4.395 50 5 GIBARN COc1cccc2c1O[C@H](c1ccc([N+](=O)[O-])cc1)N1N=C(c3ccco3)C[C@@H]21 ZINC000011990370 818135250 /nfs/dbraw/zinc/13/52/50/818135250.db2.gz UQBKHUFJFIBJTF-LAUBAEHRSA-N 0 0 391.383 4.439 50 5 GIBARN CC(C)OC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000012382673 818156649 /nfs/dbraw/zinc/15/66/49/818156649.db2.gz DCSMAFSUNAUKNX-QXMHVHEDSA-N 0 0 377.400 4.412 50 5 GIBARN Cn1c2ccccc2nc1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000058426749 823389887 /nfs/dbraw/zinc/38/98/87/823389887.db2.gz YPDRVLNSJBMESK-FQEVSTJZSA-N 0 0 386.411 4.001 50 5 GIBARN Cc1c(C(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)cccc1[N+](=O)[O-] ZINC000055645722 822991659 /nfs/dbraw/zinc/99/16/59/822991659.db2.gz WBEDSJACNAHGJC-INIZCTEOSA-N 0 0 391.427 4.368 50 5 GIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000064984005 823922173 /nfs/dbraw/zinc/92/21/73/823922173.db2.gz OAPLIKRPYASVJU-MRXNPFEDSA-N 0 0 378.425 4.040 50 5 GIBARN O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1[N+](=O)[O-] ZINC000004542650 206227404 /nfs/dbraw/zinc/22/74/04/206227404.db2.gz XXLOQURNQQLOFV-UHFFFAOYSA-N 0 0 381.344 4.334 50 5 GIBARN Cc1nc(N2C[C@H](c3cccc(C(F)(F)F)c3)OC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000328596407 206231462 /nfs/dbraw/zinc/23/14/62/206231462.db2.gz NNHJDLNULNRCDN-MEDUHNTESA-N 0 0 381.354 4.283 50 5 GIBARN Cn1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cc2ccccc2n(C)c1=O ZINC000253415056 206282646 /nfs/dbraw/zinc/28/26/46/206282646.db2.gz ZLYQXMJBHGYILV-UHFFFAOYSA-N 0 0 396.406 4.092 50 5 GIBARN Cc1ccc(C2=N/C(=C/C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000096935677 206301389 /nfs/dbraw/zinc/30/13/89/206301389.db2.gz VZKAEOBSQMBGTQ-FRKPEAEDSA-N 0 0 396.786 4.220 50 5 GIBARN CCC(=O)c1ccc(OC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000000851646 206327420 /nfs/dbraw/zinc/32/74/20/206327420.db2.gz ODAYLNFCYXWWRU-UHFFFAOYSA-N 0 0 378.178 4.169 50 5 GIBARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)CC(=O)N1 ZINC000000861249 206329380 /nfs/dbraw/zinc/32/93/80/206329380.db2.gz VQZWEPQOLNLCHS-OAHLLOKOSA-N 0 0 392.839 4.002 50 5 GIBARN CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009414385 206333304 /nfs/dbraw/zinc/33/33/04/206333304.db2.gz GFAXYIVNLVJZPM-UHFFFAOYSA-N 0 0 388.763 4.423 50 5 GIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@H](C)C2 ZINC000000993965 206340209 /nfs/dbraw/zinc/34/02/09/206340209.db2.gz DYOORSZMAMVOMD-JTQLQIEISA-N 0 0 388.445 4.128 50 5 GIBARN O=C(Nc1ccc(F)cc1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F ZINC000001027118 206342317 /nfs/dbraw/zinc/34/23/17/206342317.db2.gz VLQWOPKPGQWBEK-UHFFFAOYSA-N 0 0 394.284 4.191 50 5 GIBARN O=C(Nc1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(Cl)cc1Cl ZINC000001036369 206344456 /nfs/dbraw/zinc/34/44/56/206344456.db2.gz RKZFXDKWMXXYNZ-UHFFFAOYSA-N 0 0 379.155 4.260 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1cc(C)c(Br)cc1C ZINC000001067012 206348242 /nfs/dbraw/zinc/34/82/42/206348242.db2.gz RGJADCBQHIMGRZ-UHFFFAOYSA-N 0 0 393.237 4.300 50 5 GIBARN COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1[N+](=O)[O-] ZINC000001121568 206354452 /nfs/dbraw/zinc/35/44/52/206354452.db2.gz NWEAHQRUGQPNTF-UHFFFAOYSA-N 0 0 376.166 4.083 50 5 GIBARN O=C(OCc1cccc(C(=O)Oc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001124380 206356346 /nfs/dbraw/zinc/35/63/46/206356346.db2.gz ALUNJGNBBMJICM-UHFFFAOYSA-N 0 0 377.352 4.171 50 5 GIBARN CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@@H]1c1ccccc1 ZINC000001149386 206359699 /nfs/dbraw/zinc/35/96/99/206359699.db2.gz QAPCTRAIFUQAND-XMSQKQJNSA-N 0 0 395.411 4.067 50 5 GIBARN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1 ZINC000001182534 206364075 /nfs/dbraw/zinc/36/40/75/206364075.db2.gz UQUHPSOZGFXUAK-UHFFFAOYSA-N 0 0 391.452 4.240 50 5 GIBARN Cc1cc(C(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2n1 ZINC000001183836 206364407 /nfs/dbraw/zinc/36/44/07/206364407.db2.gz VUEHVNDUSIZQCZ-UHFFFAOYSA-N 0 0 384.775 4.145 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(NC(=O)c2ccco2)c1 ZINC000001186237 206364931 /nfs/dbraw/zinc/36/49/31/206364931.db2.gz HOHUGZHQIGJFRV-MDZDMXLPSA-N 0 0 377.356 4.092 50 5 aggregator GIBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000001185698 206365717 /nfs/dbraw/zinc/36/57/17/206365717.db2.gz LMGAPTYOPDDBEC-ZHACJKMWSA-N 0 0 399.410 4.289 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1[N+](=O)[O-] ZINC000001205466 206366713 /nfs/dbraw/zinc/36/67/13/206366713.db2.gz VXCRENFDDZOFRB-UHFFFAOYSA-N 0 0 379.372 4.309 50 5 GIBARN O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001211024 206367601 /nfs/dbraw/zinc/36/76/01/206367601.db2.gz FFMNPRBGWPOJEJ-UHFFFAOYSA-N 0 0 387.351 4.016 50 5 GIBARN O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2C(=O)N1c1ccc(Cl)cn1 ZINC000001207928 206368252 /nfs/dbraw/zinc/36/82/52/206368252.db2.gz QYDIFFKWSUUGHZ-UHFFFAOYSA-N 0 0 395.758 4.236 50 5 GIBARN Cc1cccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001230301 206369232 /nfs/dbraw/zinc/36/92/32/206369232.db2.gz ZZZQMLKXYSPMMZ-UHFFFAOYSA-N 0 0 384.413 4.496 50 5 GIBARN COCCNc1oc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)oc1c(C)cccc21 ZINC000010383512 206391328 /nfs/dbraw/zinc/39/13/28/206391328.db2.gz MJRCWBMXQIDYPJ-UHFFFAOYSA-N 0 0 394.383 4.481 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)Oc2ccc(Cl)c3cccnc23)ccc1Cl ZINC000001780567 206391934 /nfs/dbraw/zinc/39/19/34/206391934.db2.gz HWVHSNWZSQQDIA-UHFFFAOYSA-N 0 0 399.211 4.218 50 5 GIBARN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3c4c(cccc42)CC3)cc1[N+](=O)[O-] ZINC000002068756 206396999 /nfs/dbraw/zinc/39/69/99/206396999.db2.gz DHBDZNRJDHKMSY-UHFFFAOYSA-N 0 0 377.356 4.316 50 5 GIBARN CCCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000002084859 206398008 /nfs/dbraw/zinc/39/80/08/206398008.db2.gz LRYLGJZKHMGROI-UHFFFAOYSA-N 0 0 388.445 4.354 50 5 GIBARN CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC ZINC000002821653 206438689 /nfs/dbraw/zinc/43/86/89/206438689.db2.gz LGLWAZTVSGLGQD-FMIVXFBMSA-N 0 0 397.431 4.384 50 5 GIBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 ZINC000002841787 206439522 /nfs/dbraw/zinc/43/95/22/206439522.db2.gz IRHCKMGLTHKFKH-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccc(Cl)cc1 ZINC000002985475 206451357 /nfs/dbraw/zinc/45/13/57/206451357.db2.gz VIFFQBGSIOHVKV-RMKNXTFCSA-N 0 0 376.865 4.311 50 5 GIBARN CCCn1c(C)cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C ZINC000003499573 206483525 /nfs/dbraw/zinc/48/35/25/206483525.db2.gz JVYOSBJYNXGEFZ-UHFFFAOYSA-N 0 0 378.812 4.116 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2)CSC3)cc1C ZINC000004224472 206508518 /nfs/dbraw/zinc/50/85/18/206508518.db2.gz KONULSBGGMJWCV-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004498508 206523834 /nfs/dbraw/zinc/52/38/34/206523834.db2.gz YXNDYSSFMZGRMF-UHFFFAOYSA-N 0 0 398.221 4.003 50 5 GIBARN O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1)c1ccccc1 ZINC000004567448 206530462 /nfs/dbraw/zinc/53/04/62/206530462.db2.gz RUMHRQWAARUWMQ-ZHZULCJRSA-N 0 0 384.395 4.399 50 5 GIBARN COc1cc(/C=C\[N+](=O)[O-])c(Br)cc1OCc1ccccc1F ZINC000004917164 206571719 /nfs/dbraw/zinc/57/17/19/206571719.db2.gz VBFCGBNPEQIVST-SREVYHEPSA-N 0 0 382.185 4.423 50 5 GIBARN Cc1c(C(=O)N2CCC(C)CC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931049 206573531 /nfs/dbraw/zinc/57/35/31/206573531.db2.gz OLMULSPNCWZIET-UHFFFAOYSA-N 0 0 384.461 4.152 50 5 GIBARN COc1ccc(-c2nc3ccccn3c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000004790814 206554555 /nfs/dbraw/zinc/55/45/55/206554555.db2.gz IYWSZKQTLYGXHP-UHFFFAOYSA-N 0 0 388.383 4.170 50 5 GIBARN O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1Cc1ccco1 ZINC000004866379 206563800 /nfs/dbraw/zinc/56/38/00/206563800.db2.gz OQZVTJORCAUXAG-UHFFFAOYSA-N 0 0 385.427 4.051 50 5 GIBARN C[C@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004975835 206578814 /nfs/dbraw/zinc/57/88/14/206578814.db2.gz KLFHANFUVNSWGD-NSHDSACASA-N 0 0 387.392 4.263 50 5 GIBARN CC(=O)c1ccc(Nc2cc(N3CCC[C@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005024382 206584385 /nfs/dbraw/zinc/58/43/85/206584385.db2.gz YUXWTVJPRYZXAT-LBPRGKRZSA-N 0 0 395.419 4.314 50 5 GIBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)c1 ZINC000005100135 206590953 /nfs/dbraw/zinc/59/09/53/206590953.db2.gz IQNGDUGFHLGKLL-UHFFFAOYSA-N 0 0 386.799 4.116 50 5 GIBARN CN(Cc1ccccc1)c1nc(N)c([N+](=O)[O-])c(Nc2cccc(Cl)c2)n1 ZINC000005218774 206600862 /nfs/dbraw/zinc/60/08/62/206600862.db2.gz LMJITRSQDSKCSP-UHFFFAOYSA-N 0 0 384.827 4.000 50 5 GIBARN O=C(Nc1cccc2cccnc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000006615517 206658320 /nfs/dbraw/zinc/65/83/20/206658320.db2.gz SUGALGNKNOAZHF-UHFFFAOYSA-N 0 0 376.416 4.386 50 5 GIBARN O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000006785386 206676902 /nfs/dbraw/zinc/67/69/02/206676902.db2.gz FKVWLJUBVUBABQ-UHFFFAOYSA-N 0 0 399.410 4.019 50 5 GIBARN O=C1OC(c2ccc([N+](=O)[O-])cc2)=NC1=CNc1cc(Cl)ccc1Cl ZINC000006883659 206690483 /nfs/dbraw/zinc/69/04/83/206690483.db2.gz APWJRBGHHFKHMQ-RIYZIHGNSA-N 0 0 378.171 4.159 50 5 GIBARN COc1cccc(CN(C)c2ccc(Br)cc2[N+](=O)[O-])c1OC ZINC000007270009 206708496 /nfs/dbraw/zinc/70/84/96/206708496.db2.gz JDWDLWCTHDLCFM-UHFFFAOYSA-N 0 0 381.226 4.011 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccncc21 ZINC000012644815 206921937 /nfs/dbraw/zinc/92/19/37/206921937.db2.gz HCIGCNWYSVZCGM-QGZVFWFLSA-N 0 0 377.400 4.256 50 5 GIBARN O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000015275528 207049421 /nfs/dbraw/zinc/04/94/21/207049421.db2.gz ZBBGDKGOOGTPRG-IBGZPJMESA-N 0 0 394.358 4.271 50 5 GIBARN Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000015545172 207052948 /nfs/dbraw/zinc/05/29/48/207052948.db2.gz QYCUIJPXFSBABK-INIZCTEOSA-N 0 0 396.472 4.289 50 5 GIBARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016752742 207077527 /nfs/dbraw/zinc/07/75/27/207077527.db2.gz WOGLHHLCUDUIBY-UHFFFAOYSA-N 0 0 380.400 4.104 50 5 GIBARN CCOc1ccc([C@@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000017076786 207082999 /nfs/dbraw/zinc/08/29/99/207082999.db2.gz IVXQRZYPWRIPKB-GFCCVEGCSA-N 0 0 375.450 4.050 50 5 GIBARN Cc1c(-c2ccc(F)cc2)nn(Cn2cc([N+](=O)[O-])cn2)c1-c1ccc(F)cc1 ZINC000017080772 207084387 /nfs/dbraw/zinc/08/43/87/207084387.db2.gz SYFCTXWPXCGPSX-UHFFFAOYSA-N 0 0 395.369 4.414 50 5 GIBARN Cc1cc(NC(=O)Cc2c(F)cccc2Cl)n(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000018196854 207094883 /nfs/dbraw/zinc/09/48/83/207094883.db2.gz SFACAKWCKWEVRX-UHFFFAOYSA-N 0 0 388.786 4.063 50 5 GIBARN COc1ccc(CCN2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000019882526 207167757 /nfs/dbraw/zinc/16/77/57/207167757.db2.gz NCQLEFFILIFVEK-UHFFFAOYSA-N 0 0 387.435 4.349 50 5 GIBARN Cc1[nH]nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000020293836 207186239 /nfs/dbraw/zinc/18/62/39/207186239.db2.gz SXSIETWNGXHYPV-UHFFFAOYSA-N 0 0 380.514 4.212 50 5 GIBARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000023010957 207267396 /nfs/dbraw/zinc/26/73/96/207267396.db2.gz QIJATOYCTACBJR-UHFFFAOYSA-N 0 0 376.372 4.491 50 5 GIBARN C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)C1 ZINC000024887736 207298000 /nfs/dbraw/zinc/29/80/00/207298000.db2.gz MYWSFYUYIQTWIY-NSHDSACASA-N 0 0 394.884 4.189 50 5 GIBARN Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000025033127 207299366 /nfs/dbraw/zinc/29/93/66/207299366.db2.gz MFUIMCSYROSETP-NRFANRHFSA-N 0 0 386.411 4.299 50 5 GIBARN O=[N+]([O-])c1cnc(N[C@@H](c2cccs2)c2ccc(F)cc2)nc1NC1CC1 ZINC000025494132 207303776 /nfs/dbraw/zinc/30/37/76/207303776.db2.gz YAEBMNXEJZEQIZ-MRXNPFEDSA-N 0 0 385.424 4.361 50 5 GIBARN CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccc(OC)cc1 ZINC000040127444 207344736 /nfs/dbraw/zinc/34/47/36/207344736.db2.gz BJLMAZPDWJIURS-UHFFFAOYSA-N 0 0 384.461 4.483 50 5 GIBARN CCOc1ccc([C@H](NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000040090743 207338500 /nfs/dbraw/zinc/33/85/00/207338500.db2.gz BDVQNVMMVFHJMJ-HSZRJFAPSA-N 0 0 390.439 4.442 50 5 GIBARN Cc1cccc(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1[N+](=O)[O-] ZINC000040106748 207340476 /nfs/dbraw/zinc/34/04/76/207340476.db2.gz HOVZAAGKYXFFGW-UHFFFAOYSA-N 0 0 389.411 4.086 50 5 GIBARN CN(C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCc2ccccc21 ZINC000029258464 207358845 /nfs/dbraw/zinc/35/88/45/207358845.db2.gz WWHQMEUBLCAFRU-SQUSKLHYSA-N 0 0 394.427 4.011 50 5 GIBARN Cc1cc(C)c2c(n1)sc1c3nc(COc4ccccc4C)nn3cnc12 ZINC000032117676 207392076 /nfs/dbraw/zinc/39/20/76/207392076.db2.gz LPDRMJGOXZUGJM-UHFFFAOYSA-N 0 0 375.457 4.391 50 5 GIBARN C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2ccccc2o1 ZINC000032777401 207406249 /nfs/dbraw/zinc/40/62/49/207406249.db2.gz WCRVZVWMVSVINO-NSHDSACASA-N 0 0 397.412 4.452 50 5 GIBARN O=C(Nc1ccccc1N1CCc2sccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000032915673 207420263 /nfs/dbraw/zinc/42/02/63/207420263.db2.gz WRYOWPJCTVFSIG-UHFFFAOYSA-N 0 0 379.441 4.471 50 5 GIBARN CC(C)CCn1ccc2nc3ccn(CCc4ccccc4)c(=O)c3cc2c1=O ZINC000040398821 207596911 /nfs/dbraw/zinc/59/69/11/207596911.db2.gz KSNBEOOSCBVWLW-UHFFFAOYSA-N 0 0 387.483 4.000 50 5 GIBARN O=C1NCCCC[C@@H]1Oc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000069421070 207927982 /nfs/dbraw/zinc/92/79/82/207927982.db2.gz WFKHMVXIJBQFRQ-KRWDZBQOSA-N 0 0 376.796 4.088 50 5 GIBARN CN(Cc1ccc(C(=O)N2CCCC2)cc1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000083862074 208085050 /nfs/dbraw/zinc/08/50/50/208085050.db2.gz KDYGKBGHORPQQU-UHFFFAOYSA-N 0 0 387.867 4.116 50 5 GIBARN Cc1ccc(C(=O)N[C@H](c2nc(-c3cccc([N+](=O)[O-])c3)no2)C(C)C)cc1 ZINC000096276878 208299817 /nfs/dbraw/zinc/29/98/17/208299817.db2.gz FBLDDXLKZDGUPF-KRWDZBQOSA-N 0 0 380.404 4.080 50 5 GIBARN CC[C@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccccc1 ZINC000096277171 208300058 /nfs/dbraw/zinc/30/00/58/208300058.db2.gz DWAXVYNNNGYXGW-HNNXBMFYSA-N 0 0 394.431 4.128 50 5 GIBARN CC1=C(C)C[C@H]2C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 ZINC000100596344 208376670 /nfs/dbraw/zinc/37/66/70/208376670.db2.gz FJCJXTYCNLBKCY-WOJBJXKFSA-N 0 0 376.412 4.498 50 5 GIBARN Cc1cccc(OC2CCN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC2)c1C ZINC000048287971 208448572 /nfs/dbraw/zinc/44/85/72/208448572.db2.gz JEKOAYHNRPJVKN-UHFFFAOYSA-N 0 0 380.448 4.062 50 5 GIBARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000003103934 208508350 /nfs/dbraw/zinc/50/83/50/208508350.db2.gz SUOLSICARLUFDE-UHFFFAOYSA-N 0 0 393.355 4.334 50 5 GIBARN O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007980093 208694007 /nfs/dbraw/zinc/69/40/07/208694007.db2.gz FQKYBEIJSDRHNO-UHFFFAOYSA-N 0 0 381.640 4.301 50 5 GIBARN CC(C)CC(=O)Nc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012983324 208778949 /nfs/dbraw/zinc/77/89/49/208778949.db2.gz XJMOFHZCWFXACO-UHFFFAOYSA-N 0 0 387.461 4.310 50 5 GIBARN C[C@@H]1C[C@@H]1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000020751699 208817668 /nfs/dbraw/zinc/81/76/68/208817668.db2.gz VJWGHXBQWAGDIY-HYSWKAIVSA-N 0 0 388.807 4.127 50 5 GIBARN CC(C)c1c(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cnn1-c1ccc(F)cc1 ZINC000032796878 208990264 /nfs/dbraw/zinc/99/02/64/208990264.db2.gz QOLDVLHKJHYXBP-UHFFFAOYSA-N 0 0 386.358 4.434 50 5 GIBARN CCCCOc1ccc(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OC ZINC000032749742 208991304 /nfs/dbraw/zinc/99/13/04/208991304.db2.gz BVMOFRNBMMMPPT-UHFFFAOYSA-N 0 0 392.839 4.366 50 5 GIBARN Cn1c2ccccc2nc1-c1cc2c(nc1N)oc1ccc(Cl)cc1c2=O ZINC000094986177 209006124 /nfs/dbraw/zinc/00/61/24/209006124.db2.gz SDEARYQCSFHDCO-UHFFFAOYSA-N 0 0 376.803 4.131 50 5 GIBARN Cc1ccc(S(=O)(=O)N2Cc3cc([N+](=O)[O-])ccc3Oc3ccccc32)cc1 ZINC000004108396 220683240 /nfs/dbraw/zinc/68/32/40/220683240.db2.gz DBDGVNWWGUHENK-UHFFFAOYSA-N 0 0 396.424 4.404 50 5 GIBARN CCCCSc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)OC)s1 ZINC000032923321 221749824 /nfs/dbraw/zinc/74/98/24/221749824.db2.gz ORCBJHQLLOLPKP-UHFFFAOYSA-N 0 0 385.492 4.276 50 5 GIBARN C[C@@H](c1ccccc1F)N(C1CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000048310606 570233056 /nfs/dbraw/zinc/23/30/56/570233056.db2.gz OADIUYRZQMPPLI-NSHDSACASA-N 0 0 398.843 4.302 50 5 GIBARN Cc1cc(C)n2nc(CCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2n1 ZINC000048324498 570235781 /nfs/dbraw/zinc/23/57/81/570235781.db2.gz HZCWSIWLRMBNKV-UHFFFAOYSA-N 0 0 393.369 4.318 50 5 GIBARN Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000012873736 570274456 /nfs/dbraw/zinc/27/44/56/570274456.db2.gz CJPQEDJFMNMPHP-SFHVURJKSA-N 0 0 382.416 4.042 50 5 GIBARN O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000012878152 570275046 /nfs/dbraw/zinc/27/50/46/570275046.db2.gz IPZHHVNLLIPBHQ-UHFFFAOYSA-N 0 0 395.793 4.130 50 5 GIBARN O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000012904682 570289478 /nfs/dbraw/zinc/28/94/78/570289478.db2.gz RPTHKABUJBGQRP-UHFFFAOYSA-N 0 0 386.791 4.203 50 5 GIBARN Cc1ccc(NC(=O)[C@H](Sc2cccc[n+]2[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000004825362 570292897 /nfs/dbraw/zinc/29/28/97/570292897.db2.gz ZCNSCJKSRCRHRJ-LJQANCHMSA-N 0 0 395.440 4.009 50 5 GIBARN C[C@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012928850 570298813 /nfs/dbraw/zinc/29/88/13/570298813.db2.gz NLIKUECXZSHHAT-SNVBAGLBSA-N 0 0 383.782 4.158 50 5 GIBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cc(Br)ccc1O ZINC000004833636 570306197 /nfs/dbraw/zinc/30/61/97/570306197.db2.gz XEQQFKWIMMGTSM-UHFFFAOYSA-N 0 0 386.585 4.073 50 5 GIBARN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004834346 570306350 /nfs/dbraw/zinc/30/63/50/570306350.db2.gz NARAISHEVAEJDY-LLVKDONJSA-N 0 0 379.210 4.072 50 5 GIBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000016037659 570313606 /nfs/dbraw/zinc/31/36/06/570313606.db2.gz AQNMCDPYPROWTM-ODAXIHTASA-N 0 0 397.434 4.071 50 5 GIBARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2[N+](=O)[O-])cc1 ZINC000004866881 570350920 /nfs/dbraw/zinc/35/09/20/570350920.db2.gz PJGRWCQYDDVUKJ-NTCAYCPXSA-N 0 0 399.406 4.473 50 5 GIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC[C@H]2CCCO2)cc1Cl ZINC000004873341 570351861 /nfs/dbraw/zinc/35/18/61/570351861.db2.gz OSGLXYXKUQNVGU-OAHLLOKOSA-N 0 0 389.839 4.400 50 5 GIBARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000004893815 570357943 /nfs/dbraw/zinc/35/79/43/570357943.db2.gz HUOLVRBTQRDTJE-UHFFFAOYSA-N 0 0 380.356 4.284 50 5 GIBARN Cc1ccc(NC(=O)[C@H](OC(=O)[C@H]2CC=CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006290914 570363308 /nfs/dbraw/zinc/36/33/08/570363308.db2.gz WUFSWNXTXVOHCA-FXAWDEMLSA-N 0 0 394.427 4.483 50 5 GIBARN COc1ccc(Nc2ccc(-c3n[nH]c(=O)c4ccccc43)cc2[N+](=O)[O-])cc1 ZINC000004950906 570380852 /nfs/dbraw/zinc/38/08/52/570380852.db2.gz RPDFTFDPQFGTDS-UHFFFAOYSA-N 0 0 388.383 4.251 50 5 GIBARN Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004953205 570381164 /nfs/dbraw/zinc/38/11/64/570381164.db2.gz SPDGPOUKYGHUQS-UHFFFAOYSA-N 0 0 381.413 4.469 50 5 GIBARN CCOc1ccc(Nc2nc(NCc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005025466 570399198 /nfs/dbraw/zinc/39/91/98/570399198.db2.gz RZKKBHJHOHPZEM-UHFFFAOYSA-N 0 0 394.435 4.030 50 5 GIBARN Cc1ccc2nc(-c3ccc(NC(=O)c4n[nH]cc4[N+](=O)[O-])cc3)sc2c1 ZINC000006413547 570405582 /nfs/dbraw/zinc/40/55/82/570405582.db2.gz YVISNCJCMLRNCB-UHFFFAOYSA-N 0 0 379.401 4.155 50 5 GIBARN O=c1c2c3nc4ccccc4nc3n(C3CCCC3)c2ncn1Cc1ccccc1 ZINC000004867314 570413905 /nfs/dbraw/zinc/41/39/05/570413905.db2.gz DBPYHVLPASDFQR-UHFFFAOYSA-N 0 0 395.466 4.458 50 5 GIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-c1ccccc1 ZINC000005109918 570419349 /nfs/dbraw/zinc/41/93/49/570419349.db2.gz UTKGJYSWZCJGKS-UHFFFAOYSA-N 0 0 376.368 4.057 50 5 GIBARN CC(C)OCCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2nc3ccccc3nc21 ZINC000001830392 570436464 /nfs/dbraw/zinc/43/64/64/570436464.db2.gz CKSIZLDZTLIYFV-UHFFFAOYSA-N 0 0 391.431 4.370 50 5 GIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000005156615 570436646 /nfs/dbraw/zinc/43/66/46/570436646.db2.gz WGXQOXBMTCYDBH-AWEZNQCLSA-N 0 0 399.454 4.263 50 5 GIBARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000100815621 570450149 /nfs/dbraw/zinc/45/01/49/570450149.db2.gz OXMGVIFSAAZMFS-SDXDJHTJSA-N 0 0 382.228 4.196 50 5 GIBARN O=c1c2ccccc2oc2nc(-c3ccccc3F)n(-c3ccccc3)c(=O)c12 ZINC000002237477 570450284 /nfs/dbraw/zinc/45/02/84/570450284.db2.gz RVBDVNARGIPDDA-UHFFFAOYSA-N 0 0 384.366 4.298 50 5 GIBARN Cc1cc(C)c2c(n1)sc1c2ncn2nc(-c3ccccc3[N+](=O)[O-])nc12 ZINC000006527947 570466137 /nfs/dbraw/zinc/46/61/37/570466137.db2.gz XTOXIACDMSNDMZ-UHFFFAOYSA-N 0 0 376.401 4.079 50 5 GIBARN O=C(Oc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000006548766 570472648 /nfs/dbraw/zinc/47/26/48/570472648.db2.gz LWHFETWUFXUIES-LJQANCHMSA-N 0 0 389.367 4.243 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccccc1C(F)(F)F ZINC000013207893 570483329 /nfs/dbraw/zinc/48/33/29/570483329.db2.gz JKGOSQYHLVOCKE-UHFFFAOYSA-N 0 0 396.350 4.221 50 5 GIBARN COc1ccc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000006590861 570488306 /nfs/dbraw/zinc/48/83/06/570488306.db2.gz FLXYCEZIYOGIAX-SFHVURJKSA-N 0 0 386.404 4.323 50 5 GIBARN COc1ccc2c(c1)oc1nc(-c3ccco3)n3c4ccccc4nc3c1c2=O ZINC000005208288 570506551 /nfs/dbraw/zinc/50/65/51/570506551.db2.gz BLDYGYGUKPPJTR-UHFFFAOYSA-N 0 0 383.363 4.411 50 5 GIBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc([N+](=O)[O-])ccc1Cl ZINC000002716183 570509779 /nfs/dbraw/zinc/50/97/79/570509779.db2.gz IGDPXZACBPFSDV-UHFFFAOYSA-N 0 0 378.771 4.066 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000005234724 570523590 /nfs/dbraw/zinc/52/35/90/570523590.db2.gz IJDISIAMYSTUPT-UHFFFAOYSA-N 0 0 384.413 4.496 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000005235459 570524148 /nfs/dbraw/zinc/52/41/48/570524148.db2.gz MAWAZQBWUQGXSM-FQEVSTJZSA-N 0 0 388.379 4.301 50 5 GIBARN Nc1nc(NCCc2ccccc2)nc(Nc2cccc(Cl)c2)c1[N+](=O)[O-] ZINC000005253059 570529362 /nfs/dbraw/zinc/52/93/62/570529362.db2.gz APYPVQLSJNELQW-UHFFFAOYSA-N 0 0 384.827 4.019 50 5 GIBARN Cc1ccc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2n1 ZINC000005377387 570567186 /nfs/dbraw/zinc/56/71/86/570567186.db2.gz KNPARKBDOCWPSU-UHFFFAOYSA-N 0 0 376.416 4.304 50 5 GIBARN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000005405714 570587419 /nfs/dbraw/zinc/58/74/19/570587419.db2.gz PIMLVXDDWOPGFU-SFHVURJKSA-N 0 0 390.823 4.147 50 5 GIBARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005508632 570617483 /nfs/dbraw/zinc/61/74/83/570617483.db2.gz MABATIDBWTYJKW-NSHDSACASA-N 0 0 386.791 4.466 50 5 GIBARN COc1c(C)cc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000006825879 570624865 /nfs/dbraw/zinc/62/48/65/570624865.db2.gz BARHQJVWFXHRIY-UHFFFAOYSA-N 0 0 383.173 4.066 50 5 GIBARN COc1cccc([C@@H]2c3cccn3CCCN2Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000036348327 570629737 /nfs/dbraw/zinc/62/97/37/570629737.db2.gz QUMRRFYQUVXASF-JOCHJYFZSA-N 0 0 377.444 4.400 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cs1 ZINC000012396426 570645998 /nfs/dbraw/zinc/64/59/98/570645998.db2.gz ZGIUOGMOLCACPA-UHFFFAOYSA-N 0 0 387.486 4.369 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000011117646 570648013 /nfs/dbraw/zinc/64/80/13/570648013.db2.gz GQXMIKDREOQHLS-HXUWFJFHSA-N 0 0 381.457 4.282 50 5 GIBARN O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(Cc2ccccc2)CC1 ZINC000005572051 570658167 /nfs/dbraw/zinc/65/81/67/570658167.db2.gz GOHXXPLXVVVIEP-UHFFFAOYSA-N 0 0 393.487 4.290 50 5 GIBARN O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000004615289 570666912 /nfs/dbraw/zinc/66/69/12/570666912.db2.gz PRUSCSDOVWQPSU-UHFFFAOYSA-N 0 0 375.222 4.189 50 5 GIBARN COc1cccc(Nc2cc(N3CCCCCC3)c3nonc3c2[N+](=O)[O-])c1 ZINC000004622069 570679222 /nfs/dbraw/zinc/67/92/22/570679222.db2.gz CQNDSZSQCODMQZ-UHFFFAOYSA-N 0 0 383.408 4.264 50 5 GIBARN CCN(C(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 ZINC000006944231 570715779 /nfs/dbraw/zinc/71/57/79/570715779.db2.gz BITIBFXLPMGBAR-UHFFFAOYSA-N 0 0 394.383 4.065 50 5 GIBARN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1ccco1 ZINC000000959468 570737089 /nfs/dbraw/zinc/73/70/89/570737089.db2.gz ZFAFSQSCJRJDCO-UHFFFAOYSA-N 0 0 386.385 4.345 50 5 GIBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OCc2ccccc2)cc1 ZINC000000971804 570740484 /nfs/dbraw/zinc/74/04/84/570740484.db2.gz RYQUYVMTPFJEFL-UHFFFAOYSA-N 0 0 391.379 4.214 50 5 GIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1 ZINC000001140110 570756666 /nfs/dbraw/zinc/75/66/66/570756666.db2.gz HRSQAYCZPWJGJN-UHFFFAOYSA-N 0 0 381.413 4.469 50 5 GIBARN COc1ccccc1/C=C\c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1ccccc2=O ZINC000211080922 570759162 /nfs/dbraw/zinc/75/91/62/570759162.db2.gz UQPFYZPQMCMWTQ-GDNBJRDFSA-N 0 0 399.406 4.473 50 5 GIBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000001174494 570787500 /nfs/dbraw/zinc/78/75/00/570787500.db2.gz BQNFFFZNRFPREH-UHFFFAOYSA-N 0 0 379.155 4.260 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)N[C@H]1CCCc2ccccc21 ZINC000032777316 570799555 /nfs/dbraw/zinc/79/95/55/570799555.db2.gz VMDFSLDPFSKUTI-HNNXBMFYSA-N 0 0 383.429 4.022 50 5 GIBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000004688229 570828155 /nfs/dbraw/zinc/82/81/55/570828155.db2.gz RYQXMQALKBZVLX-UHFFFAOYSA-N 0 0 387.745 4.109 50 5 GIBARN COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2C)c([N+](=O)[O-])c1 ZINC000004691182 570836270 /nfs/dbraw/zinc/83/62/70/570836270.db2.gz JMHWYKDLYNNODN-UHFFFAOYSA-N 0 0 378.812 4.363 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000004540026 570851463 /nfs/dbraw/zinc/85/14/63/570851463.db2.gz PLBGUGUNAYHKGR-HXUWFJFHSA-N 0 0 388.379 4.301 50 5 GIBARN O=C(CC12CC3CC(CC(C3)C1)C2)NCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000004703727 570854470 /nfs/dbraw/zinc/85/44/70/570854470.db2.gz DOQZILOZGJGXPQ-UHFFFAOYSA-N 0 0 391.899 4.383 50 5 GIBARN CC(C)[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1 ZINC000032858398 570856032 /nfs/dbraw/zinc/85/60/32/570856032.db2.gz YQYRXZVSZDGLHY-SFHVURJKSA-N 0 0 385.445 4.342 50 5 GIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102782117 570863235 /nfs/dbraw/zinc/86/32/35/570863235.db2.gz QKFPZJUOXPEDBT-HDICACEKSA-N 0 0 393.443 4.195 50 5 GIBARN COc1ccccc1-n1c(/C=C/c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000004729922 570863257 /nfs/dbraw/zinc/86/32/57/570863257.db2.gz ZZPBFUMULMNIMG-CCEZHUSRSA-N 0 0 399.406 4.473 50 5 GIBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@H](O)c3ccc(F)cc3)s2)cc1 ZINC000005715818 570864115 /nfs/dbraw/zinc/86/41/15/570864115.db2.gz FBZDMQZHMSSGDZ-AWEZNQCLSA-N 0 0 377.422 4.078 50 5 GIBARN C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl ZINC000012562414 570867464 /nfs/dbraw/zinc/86/74/64/570867464.db2.gz DLPAXUMPNIKHED-AWEZNQCLSA-N 0 0 387.867 4.342 50 5 GIBARN CCCN(CC1CC1)c1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000104798256 570905549 /nfs/dbraw/zinc/90/55/49/570905549.db2.gz LVKSKLUXEFCFLL-OLMNPRSZSA-N 0 0 399.491 4.147 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000005736181 570913212 /nfs/dbraw/zinc/91/32/12/570913212.db2.gz JWXUQRHGKNCBNX-NZQKXSOJSA-N 0 0 399.406 4.347 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(C=Cc2ccccc2)[nH]c(=S)n1 ZINC000005734133 570913478 /nfs/dbraw/zinc/91/34/78/570913478.db2.gz QGQAVJUNTICSCC-VOTSOKGWSA-N 0 0 378.413 4.470 50 5 GIBARN O=C1S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000033293732 570963532 /nfs/dbraw/zinc/96/35/32/570963532.db2.gz AMRWWHVYZJGSON-OVCLIPMQSA-N 0 0 390.804 4.190 50 5 GIBARN Cn1cc([C@H](CC(=O)N2CCCC2)c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000106798132 570967775 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CC[C@@H](C)n1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O ZINC000002400586 817387205 /nfs/dbraw/zinc/38/72/05/817387205.db2.gz ULKVYAPDIOQZTM-CYBMUJFWSA-N 0 0 387.443 4.215 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O ZINC000002411113 817387795 /nfs/dbraw/zinc/38/77/95/817387795.db2.gz SQHQWUQJXZKWCG-UHFFFAOYSA-N 0 0 383.455 4.061 50 5 GIBARN O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002721036 817398083 /nfs/dbraw/zinc/39/80/83/817398083.db2.gz OVDKJBLTYXVRFK-UHFFFAOYSA-N 0 0 375.837 4.252 50 5 GIBARN O=[N+]([O-])c1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)cc1 ZINC000002806495 817402380 /nfs/dbraw/zinc/40/23/80/817402380.db2.gz PZFNNISSSFJSRQ-UHFFFAOYSA-N 0 0 387.355 4.025 50 5 GIBARN CCCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000002821062 817402703 /nfs/dbraw/zinc/40/27/03/817402703.db2.gz CPRCCFUIZBEKPC-UHFFFAOYSA-N 0 0 376.796 4.457 50 5 GIBARN COc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 ZINC000002861312 817404034 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COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004040789 817499002 /nfs/dbraw/zinc/49/90/02/817499002.db2.gz CYALUACTDZXOGU-RUDMXATFSA-N 0 0 377.194 4.018 50 5 GIBARN O=C(NCCCNc1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000004081941 817501273 /nfs/dbraw/zinc/50/12/73/817501273.db2.gz SOBNHGUOXRUBKT-UHFFFAOYSA-N 0 0 389.455 4.345 50 5 GIBARN O=C1c2ccccc2N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N1C1CC1 ZINC000007889735 817952990 /nfs/dbraw/zinc/95/29/90/817952990.db2.gz BDMRFNJEPGUXBI-INIZCTEOSA-N 0 0 388.221 4.086 50 5 GIBARN O=C(CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccs1 ZINC000007997720 817978147 /nfs/dbraw/zinc/97/81/47/817978147.db2.gz ZWDUMJMGUOIWAY-UHFFFAOYSA-N 0 0 390.804 4.182 50 5 GIBARN Cc1[nH]c2ccccc2c1C(=O)COC(=O)C=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008038826 817987951 /nfs/dbraw/zinc/98/79/51/817987951.db2.gz DHULZUPITNQRFW-VQHVLOKHSA-N 0 0 398.802 4.477 50 5 GIBARN CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008202412 818017482 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COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000662643 206314763 /nfs/dbraw/zinc/31/47/63/206314763.db2.gz DRDUKTHQKWTNLR-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN CC(C)OC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000000687073 206317150 /nfs/dbraw/zinc/31/71/50/206317150.db2.gz IVOVECDJNPWDCY-UHFFFAOYSA-N 0 0 388.445 4.353 50 5 GIBARN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc([N+](=O)[O-])o1 ZINC000000830461 206325596 /nfs/dbraw/zinc/32/55/96/206325596.db2.gz UEIUKEJNUPDHKZ-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000823302 206325731 /nfs/dbraw/zinc/32/57/31/206325731.db2.gz ZWCRPWPNLGLRFN-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC ZINC000000947363 206336297 /nfs/dbraw/zinc/33/62/97/206336297.db2.gz ZQNVBKKJJAWLNQ-WEVVVXLNSA-N 0 0 376.796 4.307 50 5 GIBARN Cc1cc(C(=O)Nc2ccc(Br)c3cccnc23)ccc1[N+](=O)[O-] ZINC000001106081 206352498 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GIBARN CC1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)CCC5)CC1 ZINC000001465327 206383390 /nfs/dbraw/zinc/38/33/90/206383390.db2.gz GBJAVPWZZBLMSO-UHFFFAOYSA-N 0 0 390.512 4.182 50 5 GIBARN CC1(C)C(=O)[C@@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccccc1 ZINC000001149389 206359576 /nfs/dbraw/zinc/35/95/76/206359576.db2.gz QAPCTRAIFUQAND-PGRDOPGGSA-N 0 0 395.411 4.067 50 5 GIBARN COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000001143816 206360181 /nfs/dbraw/zinc/36/01/81/206360181.db2.gz GPCABEKOSPEIGT-UHFFFAOYSA-N 0 0 390.351 4.196 50 5 GIBARN O=C(Nc1ccc(-c2noc(-c3ccccc3[N+](=O)[O-])n2)cc1)c1ccco1 ZINC000001157121 206360798 /nfs/dbraw/zinc/36/07/98/206360798.db2.gz TZYSXLYZMFIMNQ-UHFFFAOYSA-N 0 0 376.328 4.157 50 5 GIBARN COC(=O)c1sc2cc([N+](=O)[O-])cc(SCC(C)C)c2c1NC(C)=O ZINC000002503705 206420829 /nfs/dbraw/zinc/42/08/29/206420829.db2.gz SZCGKRITYPADFI-UHFFFAOYSA-N 0 0 382.463 4.303 50 5 GIBARN C[C@H]1CCc2c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)csc2C1 ZINC000003334700 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LATQFWPCIRVICJ-KBRIMQKVSA-N 0 0 385.464 4.265 50 5 GIBARN CCCCOc1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000004644393 206535614 /nfs/dbraw/zinc/53/56/14/206535614.db2.gz JJYLRKBGOWWXJD-LDADJPATSA-N 0 0 380.400 4.427 50 5 GIBARN Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1Cl ZINC000004740908 206550238 /nfs/dbraw/zinc/55/02/38/206550238.db2.gz OEAYCTBGVJTTSE-UHFFFAOYSA-N 0 0 394.258 4.172 50 5 GIBARN COc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cccs1 ZINC000004778444 206553972 /nfs/dbraw/zinc/55/39/72/206553972.db2.gz JKTOZIAXXNEXAA-UHFFFAOYSA-N 0 0 397.412 4.170 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2F)c1)c1ccccc1F ZINC000004997431 206581131 /nfs/dbraw/zinc/58/11/31/206581131.db2.gz OYYYBXHWMZMUJW-UHFFFAOYSA-N 0 0 397.337 4.378 50 5 GIBARN Cc1ccc(NS(=O)(=O)c2ccc(NC3CCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000006653322 206660731 /nfs/dbraw/zinc/66/07/31/206660731.db2.gz ISASHGXXWJQJSH-UHFFFAOYSA-N 0 0 389.477 4.367 50 5 GIBARN Cc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1[N+](=O)[O-] ZINC000013856314 207002619 /nfs/dbraw/zinc/00/26/19/207002619.db2.gz WPVCTOLMLYWHIJ-UHFFFAOYSA-N 0 0 382.445 4.182 50 5 GIBARN Cc1ccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3C)C(C)C)n2)cc1 ZINC000013957829 207006235 /nfs/dbraw/zinc/00/62/35/207006235.db2.gz CHHADMJQUOTJHI-UHFFFAOYSA-N 0 0 394.431 4.312 50 5 GIBARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000015866734 207066476 /nfs/dbraw/zinc/06/64/76/207066476.db2.gz WDDDVEVZKSVLKM-MRXNPFEDSA-N 0 0 380.491 4.271 50 5 GIBARN C[C@@H]1CCO[P@](=O)([C@@H](Nc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)O1 ZINC000016157487 207072901 /nfs/dbraw/zinc/07/29/01/207072901.db2.gz OKDVAOWTAXOLHL-RAFFTOIBSA-N 0 0 378.321 4.430 50 5 GIBARN CCn1ncc(Cl)c1-c1nc2c3sc4nc(C)cc(C)c4c3ncn2n1 ZINC000017078395 207083943 /nfs/dbraw/zinc/08/39/43/207083943.db2.gz SKUYOOGXNKMDQD-UHFFFAOYSA-N 0 0 383.868 4.041 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc2ccccc21 ZINC000018221788 207096639 /nfs/dbraw/zinc/09/66/39/207096639.db2.gz GHDKIKFNWOTKGY-UHFFFAOYSA-N 0 0 378.413 4.355 50 5 GIBARN Cc1cc(C(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000040089258 207337718 /nfs/dbraw/zinc/33/77/18/207337718.db2.gz FREFEJFWLFMPMU-IBGZPJMESA-N 0 0 387.867 4.124 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1ccccc1)C1CC1 ZINC000031070839 207379452 /nfs/dbraw/zinc/37/94/52/207379452.db2.gz CULAHNCXBRRBND-UHFFFAOYSA-N 0 0 382.463 4.346 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@@H]1CCOc2ccccc21 ZINC000095349954 208157513 /nfs/dbraw/zinc/15/75/13/208157513.db2.gz QMDYOXYDHWODKZ-LLVKDONJSA-N 0 0 383.282 4.458 50 5 GIBARN CCc1ccc([C@@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(C)(C)C)o1 ZINC000095409773 208177772 /nfs/dbraw/zinc/17/77/72/208177772.db2.gz PYXGWRQJHRSBIJ-QGZVFWFLSA-N 0 0 380.466 4.353 50 5 GIBARN CC[C@H](C)[C@@H](NC(=O)c1cccc(F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096276993 208300860 /nfs/dbraw/zinc/30/08/60/208300860.db2.gz ZGABFJNNOBLWAV-YVEFUNNKSA-N 0 0 398.394 4.301 50 5 GIBARN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277334 208301099 /nfs/dbraw/zinc/30/10/99/208301099.db2.gz NWYRJAQXMBCWCV-DYVFJYSZSA-N 0 0 380.404 4.162 50 5 GIBARN O=[N+]([O-])c1ccc2c(c1Nc1ccccc1C(F)(F)F)=NC1(CCCCC1)N=2 ZINC000100639723 208378404 /nfs/dbraw/zinc/37/84/04/208378404.db2.gz QFKXSPITGLNEEA-UHFFFAOYSA-N 0 0 390.365 4.270 50 5 GIBARN CCCCOc1ccc(/C=C2/N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000003291657 208511647 /nfs/dbraw/zinc/51/16/47/208511647.db2.gz UZBHDJLUYGPMSB-GZTJUZNOSA-N 0 0 396.399 4.127 50 5 GIBARN O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 ZINC000004120682 208535716 /nfs/dbraw/zinc/53/57/16/208535716.db2.gz RRNMYBFSGACVNO-UHFFFAOYSA-N 0 0 381.413 4.086 50 5 GIBARN COc1c(Br)cc(F)cc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000012854527 221238831 /nfs/dbraw/zinc/23/88/31/221238831.db2.gz JKYNIHQLYZXVML-VOTSOKGWSA-N 0 0 395.184 4.157 50 5 GIBARN O=[N+]([O-])c1cc(CN2CCCc3cc(C(F)(F)F)ccc32)c2c(c1)COCO2 ZINC000058432554 136155604 /nfs/dbraw/zinc/15/56/04/136155604.db2.gz VJKIEAZYHSTPNI-UHFFFAOYSA-N 0 0 394.349 4.433 50 5 GIBARN Cc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c([N+](=O)[O-])cc1F ZINC000063121406 136156365 /nfs/dbraw/zinc/15/63/65/136156365.db2.gz SQKZRSPSSYDFKK-UHFFFAOYSA-N 0 0 397.372 4.383 50 5 GIBARN Cc1cccc(C)c1OC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000048272441 570225725 /nfs/dbraw/zinc/22/57/25/570225725.db2.gz CVBZUONCOOVSOS-UHFFFAOYSA-N 0 0 380.448 4.062 50 5 GIBARN O=[N+]([O-])c1c2nonc2c(Nc2ccc(O)cc2)cc1Nc1cccc(O)c1 ZINC000004817114 570235502 /nfs/dbraw/zinc/23/55/02/570235502.db2.gz OLPNMJZCBFRENF-UHFFFAOYSA-N 0 0 379.332 4.029 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000006154068 570278310 /nfs/dbraw/zinc/27/83/10/570278310.db2.gz XKTKKKIUOUBMAH-UHFFFAOYSA-N 0 0 388.383 4.156 50 5 GIBARN Cc1ccc(Sc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 ZINC000024716330 570280590 /nfs/dbraw/zinc/28/05/90/570280590.db2.gz SFLCMIKWZYCNEI-UHFFFAOYSA-N 0 0 392.502 4.229 50 5 GIBARN COc1cc(NC(=O)COc2cccc(Cl)c2Cl)c(C)cc1[N+](=O)[O-] ZINC000004821778 570288545 /nfs/dbraw/zinc/28/85/45/570288545.db2.gz XGDINYVEKKXDSA-UHFFFAOYSA-N 0 0 385.203 4.236 50 5 GIBARN CCNc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] ZINC000010550565 570330323 /nfs/dbraw/zinc/33/03/23/570330323.db2.gz BPSSMCGUPVUBQS-UHFFFAOYSA-N 0 0 394.387 4.124 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1ccc(Cl)cc1Cl ZINC000004873703 570352023 /nfs/dbraw/zinc/35/20/23/570352023.db2.gz NPIYXTHDYBKUPB-UHFFFAOYSA-N 0 0 391.642 4.479 50 5 GIBARN Cc1noc(C)c1COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004893470 570357973 /nfs/dbraw/zinc/35/79/73/570357973.db2.gz GXROZWYSHKUWRA-UHFFFAOYSA-N 0 0 381.388 4.169 50 5 GIBARN COc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccc(Br)c1 ZINC000004950657 570380862 /nfs/dbraw/zinc/38/08/62/570380862.db2.gz AAZZUIJPSDFTLU-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN O=[N+]([O-])c1cccc(-c2ccc(CN3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000004986826 570389369 /nfs/dbraw/zinc/38/93/69/570389369.db2.gz ZYZREHLXVQOLSN-UHFFFAOYSA-N 0 0 377.444 4.173 50 5 GIBARN COc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 ZINC000005034528 570403303 /nfs/dbraw/zinc/40/33/03/570403303.db2.gz HFDBUPXMVYZEHJ-UHFFFAOYSA-N 0 0 397.343 4.332 50 5 GIBARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000005060543 570408761 /nfs/dbraw/zinc/40/87/61/570408761.db2.gz JRROQAVNKANMQT-UHFFFAOYSA-N 0 0 384.413 4.496 50 5 GIBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000005069605 570410965 /nfs/dbraw/zinc/41/09/65/570410965.db2.gz DKZCYEHYTWNFGB-UHFFFAOYSA-N 0 0 394.364 4.220 50 5 GIBARN Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005137118 570423765 /nfs/dbraw/zinc/42/37/65/570423765.db2.gz ZGAQXZJZCHPFKI-UHFFFAOYSA-N 0 0 385.420 4.138 50 5 GIBARN CCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cccc(C)c3nc21 ZINC000005156915 570437389 /nfs/dbraw/zinc/43/73/89/570437389.db2.gz JQVZEAQHSHMQIN-UHFFFAOYSA-N 0 0 375.388 4.073 50 5 GIBARN O=C(COC(=O)CCC1CCCC1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000006505568 570459787 /nfs/dbraw/zinc/45/97/87/570459787.db2.gz KLMUORNOLLPFNV-UHFFFAOYSA-N 0 0 388.342 4.066 50 5 GIBARN COc1ccc(C(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000006590862 570488247 /nfs/dbraw/zinc/48/82/47/570488247.db2.gz FLXYCEZIYOGIAX-GOSISDBHSA-N 0 0 386.404 4.323 50 5 GIBARN Cc1cccc([C@@H]2CCCCN2c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)c1C ZINC000072307629 570524625 /nfs/dbraw/zinc/52/46/25/570524625.db2.gz QOHOUPCLSLFOOI-SFHVURJKSA-N 0 0 388.489 4.347 50 5 GIBARN O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000006660996 570524815 /nfs/dbraw/zinc/52/48/15/570524815.db2.gz XOIACMUKFPKNHX-UHFFFAOYSA-N 0 0 378.315 4.246 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005269396 570544779 /nfs/dbraw/zinc/54/47/79/570544779.db2.gz FPLRNGLFTPEENT-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1N[C@H](NC(=O)c1cccs1)C(=O)c1ccccc1 ZINC000004321252 570559219 /nfs/dbraw/zinc/55/92/19/570559219.db2.gz ZSXIIHJWIRVOAC-LJQANCHMSA-N 0 0 395.440 4.016 50 5 GIBARN CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1 ZINC000005346907 570561540 /nfs/dbraw/zinc/56/15/40/570561540.db2.gz HEKRWRHFSVHLMI-UHFFFAOYSA-N 0 0 391.446 4.109 50 5 GIBARN Cc1cccc(CN(c2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000036247921 570581881 /nfs/dbraw/zinc/58/18/81/570581881.db2.gz STCCOFWQQNKODT-UHFFFAOYSA-N 0 0 382.441 4.299 50 5 GIBARN CC(C)CCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1cccs1 ZINC000005424982 570589255 /nfs/dbraw/zinc/58/92/55/570589255.db2.gz RDURCJUKIWLITP-UHFFFAOYSA-N 0 0 379.485 4.023 50 5 GIBARN COc1ccc(C(C)(C)C)cc1NC(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000006787748 570593594 /nfs/dbraw/zinc/59/35/94/570593594.db2.gz XTNXAJCBQRHECS-UHFFFAOYSA-N 0 0 376.384 4.058 50 5 GIBARN CC(C)CCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1F ZINC000005450895 570598915 /nfs/dbraw/zinc/59/89/15/570598915.db2.gz NAQVKAPVYREKCG-UHFFFAOYSA-N 0 0 391.446 4.101 50 5 GIBARN CC(C)c1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000003371894 570604758 /nfs/dbraw/zinc/60/47/58/570604758.db2.gz IMYNZXZKCNSZBN-UHFFFAOYSA-N 0 0 376.796 4.167 50 5 GIBARN COc1cccc(CN2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000036347810 570630379 /nfs/dbraw/zinc/63/03/79/570630379.db2.gz GWSLORKOMLOZGX-JOCHJYFZSA-N 0 0 377.444 4.400 50 5 GIBARN C[C@@H](Sc1ccc2c(c1)OCCO2)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006844873 570646398 /nfs/dbraw/zinc/64/63/98/570646398.db2.gz XYSQKFYESKWZMM-LLVKDONJSA-N 0 0 385.401 4.269 50 5 GIBARN Cc1ccc(NC(=O)COc2c(C)cc(C)cc2Br)c([N+](=O)[O-])c1 ZINC000004616813 570674517 /nfs/dbraw/zinc/67/45/17/570674517.db2.gz RADQTILLFNEBCI-UHFFFAOYSA-N 0 0 393.237 4.300 50 5 GIBARN CCCCCCn1nc(C(=O)Oc2cccc([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000005635101 570677315 /nfs/dbraw/zinc/67/73/15/570677315.db2.gz BMCCDNCFZKVARC-UHFFFAOYSA-N 0 0 395.415 4.104 50 5 GIBARN CCOc1ccc(N2C(=S)N=NC2c2ccc3ccccc3n2)c([N+](=O)[O-])c1 ZINC000005794208 570691076 /nfs/dbraw/zinc/69/10/76/570691076.db2.gz UIIXFWNIUPZDNR-UHFFFAOYSA-N 0 0 393.428 4.078 50 5 GIBARN C[C@@H]1C[C@@H](N2CN=C(SCc3ccc([N+](=O)[O-])cc3)NC2)CC(C)(C)C1 ZINC000004365429 570706767 /nfs/dbraw/zinc/70/67/67/570706767.db2.gz HPIRSHRPVUJCMB-RHSMWYFYSA-N 0 0 376.526 4.219 50 5 GIBARN COc1cc(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC ZINC000007067452 570779454 /nfs/dbraw/zinc/77/94/54/570779454.db2.gz ATDBOBBKOLUDQV-LLVKDONJSA-N 0 0 378.812 4.099 50 5 GIBARN CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000001172662 570787537 /nfs/dbraw/zinc/78/75/37/570787537.db2.gz RMWBYEWIILNJMO-UHFFFAOYSA-N 0 0 379.372 4.456 50 5 GIBARN Cc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000005681380 570807626 /nfs/dbraw/zinc/80/76/26/570807626.db2.gz CURDGEHOTXXIJI-UHFFFAOYSA-N 0 0 398.440 4.283 50 5 GIBARN CC(C)(C)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000036759912 570809794 /nfs/dbraw/zinc/80/97/94/570809794.db2.gz REQFAOQVBVGUOV-UHFFFAOYSA-N 0 0 382.395 4.469 50 5 GIBARN CC(=O)N(c1nc(COc2ccc(C)nc2[N+](=O)[O-])cs1)c1ccccc1 ZINC000007229500 570817764 /nfs/dbraw/zinc/81/77/64/570817764.db2.gz QUDDROHQLQHQQS-UHFFFAOYSA-N 0 0 384.417 4.018 50 5 GIBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cn1 ZINC000004674851 570820841 /nfs/dbraw/zinc/82/08/41/570820841.db2.gz HVCZWKYAEHCTKZ-QHHAFSJGSA-N 0 0 382.601 4.058 50 5 GIBARN Cc1ccc(C)n1C1CCN(C(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)CC1 ZINC000065487524 570824527 /nfs/dbraw/zinc/82/45/27/570824527.db2.gz OETRPTJIYMVSEX-UHFFFAOYSA-N 0 0 382.464 4.065 50 5 GIBARN CN(Cc1ccc(Cl)cc1Cl)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000012520642 570827071 /nfs/dbraw/zinc/82/70/71/570827071.db2.gz ZMEJAXWNJNXESC-UHFFFAOYSA-N 0 0 379.203 4.050 50 5 GIBARN Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-] ZINC000007357406 570833409 /nfs/dbraw/zinc/83/34/09/570833409.db2.gz RUNSEBKRVQNAQF-UHFFFAOYSA-N 0 0 375.450 4.026 50 5 GIBARN O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004695970 570841370 /nfs/dbraw/zinc/84/13/70/570841370.db2.gz LIVINRKNVIDGOT-UHFFFAOYSA-N 0 0 388.638 4.397 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1ccccc1Cl ZINC000004702050 570842909 /nfs/dbraw/zinc/84/29/09/570842909.db2.gz GQFCTUXKNHLTAM-CMDGGOBGSA-N 0 0 376.865 4.311 50 5 GIBARN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCCCC1 ZINC000004713411 570855664 /nfs/dbraw/zinc/85/56/64/570855664.db2.gz UCPBIZLXWBJSRB-UHFFFAOYSA-N 0 0 399.403 4.240 50 5 GIBARN Cc1cccc(Nc2nnc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)s2)c1 ZINC000004550457 570865262 /nfs/dbraw/zinc/86/52/62/570865262.db2.gz CYWSQGZWGGFFRM-UHFFFAOYSA-N 0 0 380.385 4.272 50 5 GIBARN CC[C@H](C)N(CCc1nc(-c2ccccc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000102850759 570867739 /nfs/dbraw/zinc/86/77/39/570867739.db2.gz NSNJDEBCOIQELW-HNNXBMFYSA-N 0 0 394.431 4.128 50 5 GIBARN CC(C)c1ccc(CN2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000013322849 570895169 /nfs/dbraw/zinc/89/51/69/570895169.db2.gz ADMNEWORYPBHIH-UHFFFAOYSA-N 0 0 382.464 4.068 50 5 GIBARN Cc1ccc([C@H]2CCCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000170634381 570928706 /nfs/dbraw/zinc/92/87/06/570928706.db2.gz IPAGKVHSTRGKGZ-LJQANCHMSA-N 0 0 394.431 4.439 50 5 GIBARN O=C(c1ccccc1)c1ccc(N2CCO[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000012644591 570934439 /nfs/dbraw/zinc/93/44/39/570934439.db2.gz OVXLNPLYMWPLJT-JOCHJYFZSA-N 0 0 388.423 4.404 50 5 GIBARN Cc1nc(SCc2nc3ccccc3c3ccccc23)sc1CC(N)=O ZINC000054443438 570942130 /nfs/dbraw/zinc/94/21/30/570942130.db2.gz CLCBJGMGGVBKRE-UHFFFAOYSA-N 0 0 379.510 4.473 50 5 GIBARN CC1=Nc2nc3ccccc3n2[C@@H](c2ccc([N+](=O)[O-])cc2)C1C(=O)OC(C)C ZINC000004742025 570957727 /nfs/dbraw/zinc/95/77/27/570957727.db2.gz JGAUQBDIDDUXMY-IBGZPJMESA-N 0 0 392.415 4.185 50 5 GIBARN CCc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)sc1C ZINC000083820180 570966897 /nfs/dbraw/zinc/96/68/97/570966897.db2.gz HOXMGBBABPEFKK-UHFFFAOYSA-N 0 0 388.493 4.411 50 5 GIBARN Cc1cc(C(F)(F)F)nc2sc3c4nc(-c5cccnc5)nn4cnc3c21 ZINC000033326973 570980754 /nfs/dbraw/zinc/98/07/54/570980754.db2.gz GWCDDBDPJGLMSE-UHFFFAOYSA-N 0 0 386.362 4.276 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1COc1cc2oc(=O)cc(C)c2cc1Cl ZINC000004819062 570998342 /nfs/dbraw/zinc/99/83/42/570998342.db2.gz OHVWNHXOVYDDHX-UHFFFAOYSA-N 0 0 375.764 4.251 50 5 GIBARN CCCOc1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000004812749 570999053 /nfs/dbraw/zinc/99/90/53/570999053.db2.gz ULPBTYBJCGXARQ-YBEGLDIGSA-N 0 0 386.791 4.382 50 5 GIBARN O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1[N+](=O)[O-] ZINC000012774730 571027715 /nfs/dbraw/zinc/02/77/15/571027715.db2.gz GKRZLBYAOJGKFT-UHFFFAOYSA-N 0 0 379.397 4.395 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl ZINC000007748272 571030871 /nfs/dbraw/zinc/03/08/71/571030871.db2.gz ZOPKWBILKLORLH-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NCCC1=CCCCC1 ZINC000007777351 571035778 /nfs/dbraw/zinc/03/57/78/571035778.db2.gz CBHRKTQGZORLPS-UHFFFAOYSA-N 0 0 398.415 4.018 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3ccco3)nc21 ZINC000002431355 817388957 /nfs/dbraw/zinc/38/89/57/817388957.db2.gz IQLRRAQQPLWJBB-UHFFFAOYSA-N 0 0 375.428 4.014 50 5 GIBARN O=C(OCc1ccc(C(=O)Oc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002845180 817403226 /nfs/dbraw/zinc/40/32/26/817403226.db2.gz YXWXKCWITFCFFW-UHFFFAOYSA-N 0 0 377.352 4.171 50 5 GIBARN CCCCc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)cc1 ZINC000002842894 817403539 /nfs/dbraw/zinc/40/35/39/817403539.db2.gz OJLTTZGQCRIGOE-UHFFFAOYSA-N 0 0 396.399 4.305 50 5 GIBARN O=C(NCCc1ccccc1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970403 817409398 /nfs/dbraw/zinc/40/93/98/817409398.db2.gz AEFGBLXSIBSOEO-UHFFFAOYSA-N 0 0 398.491 4.297 50 5 GIBARN Cc1cc(C)cc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)c1 ZINC000003008081 817410643 /nfs/dbraw/zinc/41/06/43/817410643.db2.gz CQZSDUXMZAOTHX-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000003162713 817419046 /nfs/dbraw/zinc/41/90/46/817419046.db2.gz OSZMAPYEMBHJQS-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN CCOP(=O)(OCC)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000003213952 817422531 /nfs/dbraw/zinc/42/25/31/817422531.db2.gz BKKXRVGCZAAGEO-GOSISDBHSA-N 0 0 392.348 4.290 50 5 GIBARN CCCCOc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC ZINC000003291659 817432001 /nfs/dbraw/zinc/43/20/01/817432001.db2.gz UZBHDJLUYGPMSB-BOPFTXTBSA-N 0 0 396.399 4.127 50 5 GIBARN CC(=O)c1ccc(N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000004002401 817496415 /nfs/dbraw/zinc/49/64/15/817496415.db2.gz KEGVJXWNKOWKGA-UHFFFAOYSA-N 0 0 380.404 4.165 50 5 GIBARN O=C(Nc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 ZINC000004014437 817496512 /nfs/dbraw/zinc/49/65/12/817496512.db2.gz IVHFQFKHUZACAR-UHFFFAOYSA-N 0 0 392.371 4.367 50 5 GIBARN Cc1csc(NC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)n1 ZINC000004032981 817497824 /nfs/dbraw/zinc/49/78/24/817497824.db2.gz BZWGTNXOQUROAI-UHFFFAOYSA-N 0 0 399.457 4.297 50 5 GIBARN COc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000004038147 817498996 /nfs/dbraw/zinc/49/89/96/817498996.db2.gz ZLCSGBYZBQGRGM-YCRREMRBSA-N 0 0 377.194 4.018 50 5 GIBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004122603 817505656 /nfs/dbraw/zinc/50/56/56/817505656.db2.gz ADYHUUDCKBDVOI-UHFFFAOYSA-N 0 0 379.338 4.466 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCc1ccccc1 ZINC000004158840 817507357 /nfs/dbraw/zinc/50/73/57/817507357.db2.gz RBGBHKBLHATRQE-UHFFFAOYSA-N 0 0 383.429 4.008 50 5 GIBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1[N+](=O)[O-])CSC2 ZINC000004175977 817507980 /nfs/dbraw/zinc/50/79/80/817507980.db2.gz FZLVXLIGVAYNJZ-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c([N+](=O)[O-])c1 ZINC000004182615 817509273 /nfs/dbraw/zinc/50/92/73/817509273.db2.gz LYESGTPNLULAQU-UHFFFAOYSA-N 0 0 387.355 4.418 50 5 GIBARN O=C(Cn1cc(SCc2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCCC1 ZINC000004272466 817515060 /nfs/dbraw/zinc/51/50/60/817515060.db2.gz HGWKIODJAAERDN-UHFFFAOYSA-N 0 0 395.484 4.464 50 5 GIBARN COc1cc(/C=C\C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)ccc1OC(F)F ZINC000006683548 817716926 /nfs/dbraw/zinc/71/69/26/817716926.db2.gz GOTJJIWAHJYVKI-ALCCZGGFSA-N 0 0 392.358 4.474 50 5 GIBARN COc1ccccc1CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000008156720 818008550 /nfs/dbraw/zinc/00/85/50/818008550.db2.gz TXDHXQHRCHEJIN-UHFFFAOYSA-N 0 0 386.791 4.447 50 5 GIBARN CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012801903 818182476 /nfs/dbraw/zinc/18/24/76/818182476.db2.gz IIRFSGRSAHAUHR-ZDUSSCGKSA-N 0 0 386.882 4.008 50 5 GIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)o2)cs1 ZINC000012994745 818199045 /nfs/dbraw/zinc/19/90/45/818199045.db2.gz ZFRFALBLEKOASZ-UHFFFAOYSA-N 0 0 377.809 4.203 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CCc2ccc(C)cc2)CC1 ZINC000012998730 818200021 /nfs/dbraw/zinc/20/00/21/818200021.db2.gz AOJQXCGVTCHFHT-UHFFFAOYSA-N 0 0 382.460 4.397 50 5 GIBARN C[C@@H](OC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000058004752 823354160 /nfs/dbraw/zinc/35/41/60/823354160.db2.gz YDRODFDHGORDMU-CYBMUJFWSA-N 0 0 399.378 4.411 50 5 GIBARN O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1cc(F)ccc1[N+](=O)[O-] ZINC000058055133 823357740 /nfs/dbraw/zinc/35/77/40/823357740.db2.gz CUUBZOCHNOMOSN-UHFFFAOYSA-N 0 0 375.356 4.173 50 5 GIBARN CC[C@H](c1ccccc1)[C@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000058544428 823406978 /nfs/dbraw/zinc/40/69/78/823406978.db2.gz YBPGGRDMUKOEFK-QZTJIDSGSA-N 0 0 388.489 4.161 50 5 GIBARN COC(=O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 ZINC000051105279 822746634 /nfs/dbraw/zinc/74/66/34/822746634.db2.gz VVPBKUQWAPRYTH-FOWTUZBSSA-N 0 0 389.367 4.445 50 5 GIBARN Cc1cccc([C@H]2N[C@@H](c3cccc(C)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])c1 ZINC000239377955 206279773 /nfs/dbraw/zinc/27/97/73/206279773.db2.gz OGCYJIVSWQMNJB-FGYAAKKASA-N 0 0 383.448 4.006 50 5 GIBARN COCCOC(=O)c1c(C)oc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc21 ZINC000002667121 206292167 /nfs/dbraw/zinc/29/21/67/206292167.db2.gz OBEFHOTYVDNFBI-UHFFFAOYSA-N 0 0 385.372 4.032 50 5 GIBARN Cc1nn(C)cc1C(=O)Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000000653952 206312934 /nfs/dbraw/zinc/31/29/34/206312934.db2.gz QXVKBZAIFHKYDZ-UHFFFAOYSA-N 0 0 386.795 4.335 50 5 GIBARN O=C1c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C(=O)N1c1ccc(Cl)cn1 ZINC000000822784 206325097 /nfs/dbraw/zinc/32/50/97/206325097.db2.gz RCUYNVKYFNDQLG-UHFFFAOYSA-N 0 0 395.758 4.236 50 5 GIBARN O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000000822849 206325284 /nfs/dbraw/zinc/32/52/84/206325284.db2.gz XEBVPLDXZLWQTH-UHFFFAOYSA-N 0 0 389.363 4.259 50 5 GIBARN Cc1cccc(Cn2cnc3scc(-c4cccc([N+](=O)[O-])c4)c3c2=O)c1 ZINC000000951898 206337383 /nfs/dbraw/zinc/33/73/83/206337383.db2.gz NBLCJKXJYUGVIA-UHFFFAOYSA-N 0 0 377.425 4.390 50 5 GIBARN Cc1ccc(NC(=O)CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000000976138 206338123 /nfs/dbraw/zinc/33/81/23/206338123.db2.gz HKMZPQHFVIETLI-UHFFFAOYSA-N 0 0 389.411 4.189 50 5 GIBARN O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000996664 206340481 /nfs/dbraw/zinc/34/04/81/206340481.db2.gz TVVSVIRQZZDPTJ-KRXBUXKQSA-N 0 0 395.396 4.099 50 5 GIBARN O=C(Sc1ccccn1)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F ZINC000001027132 206341789 /nfs/dbraw/zinc/34/17/89/206341789.db2.gz DTXWABVVMFZIFM-UHFFFAOYSA-N 0 0 394.334 4.127 50 5 GIBARN O=C(NC[C@@H]1CCCO1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000001140830 206358139 /nfs/dbraw/zinc/35/81/39/206358139.db2.gz YFFKWHBGEYEHEV-ZDUSSCGKSA-N 0 0 392.864 4.308 50 5 GIBARN COc1ccc(CCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000001055232 206347018 /nfs/dbraw/zinc/34/70/18/206347018.db2.gz SKOZIOWGSAPBDM-UHFFFAOYSA-N 0 0 383.429 4.298 50 5 GIBARN O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccc(F)cc1 ZINC000001109145 206353154 /nfs/dbraw/zinc/35/31/54/206353154.db2.gz HPTQEENVGGCLGJ-UHFFFAOYSA-N 0 0 394.358 4.248 50 5 aggregator GIBARN Cc1ccc(OCCN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000001114571 206353315 /nfs/dbraw/zinc/35/33/15/206353315.db2.gz CJATZNWOSVKALC-ATVHPVEESA-N 0 0 384.413 4.019 50 5 GIBARN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1C ZINC000001416729 206379065 /nfs/dbraw/zinc/37/90/65/206379065.db2.gz PMWBLVZBSTZPMD-LICLKQGHSA-N 0 0 384.413 4.148 50 5 GIBARN O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001185459 206365244 /nfs/dbraw/zinc/36/52/44/206365244.db2.gz ZNTJPPZJARBDOK-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000001194902 206365526 /nfs/dbraw/zinc/36/55/26/206365526.db2.gz GVJADIBFJXPQLR-IBGZPJMESA-N 0 0 390.395 4.006 50 5 GIBARN O=C(Nc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001200456 206366422 /nfs/dbraw/zinc/36/64/22/206366422.db2.gz GVKULQIQPFJBRS-HMMYKYKNSA-N 0 0 387.395 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206497905 /nfs/dbraw/zinc/49/79/05/206497905.db2.gz YVOXPNLOWYVTMC-UHFFFAOYSA-N 0 0 398.419 4.362 50 5 GIBARN Cc1cc(C)n2nc(SCc3cc(=O)oc4ccc5ccccc5c34)nc2n1 ZINC000003467070 206482328 /nfs/dbraw/zinc/48/23/28/206482328.db2.gz SLSZAFOYSVDWSD-UHFFFAOYSA-N 0 0 388.452 4.293 50 5 GIBARN CC(C)(C)OC(=O)N1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004299373 206511452 /nfs/dbraw/zinc/51/14/52/206511452.db2.gz BJFXAYXIJMFMFK-UHFFFAOYSA-N 0 0 389.374 4.061 50 5 GIBARN O=C(NCc1ccc(F)cc1)c1ccc(N2CCc3ccccc32)c([N+](=O)[O-])c1 ZINC000004660543 206536981 /nfs/dbraw/zinc/53/69/81/206536981.db2.gz POCKUPJBUMFSBA-UHFFFAOYSA-N 0 0 391.402 4.358 50 5 aggregator GIBARN Cc1cccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)c1 ZINC000004810846 206556067 /nfs/dbraw/zinc/55/60/67/206556067.db2.gz SFVAMZZQYNUDGV-UHFFFAOYSA-N 0 0 394.431 4.312 50 5 GIBARN CCc1cc(C(=O)OC)c(NC(=S)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC000004999046 206582817 /nfs/dbraw/zinc/58/28/17/206582817.db2.gz CNVQEBJIFRKKMI-UHFFFAOYSA-N 0 0 379.463 4.123 50 5 GIBARN Cc1ccc(-n2nc(C)c(=O)c3c4nc5ccccc5n4c(C(C)C)nc32)cc1 ZINC000005207463 206599194 /nfs/dbraw/zinc/59/91/94/206599194.db2.gz MXJDJBLZUMSOKW-UHFFFAOYSA-N 0 0 383.455 4.322 50 5 GIBARN CC(=O)N(c1nc(COC(=O)c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1 ZINC000005672217 206624162 /nfs/dbraw/zinc/62/41/62/206624162.db2.gz CSGPMEJDZUYWPF-UHFFFAOYSA-N 0 0 397.412 4.093 50 5 GIBARN S=c1[nH]c2c(c3nc4ccccc4nc3n2CCc2ccccc2)c(=S)[nH]1 ZINC000006190236 206643704 /nfs/dbraw/zinc/64/37/04/206643704.db2.gz IPEVLICWPDHOFO-UHFFFAOYSA-N 0 0 389.509 4.348 50 5 GIBARN Cc1ccc(C(=O)Nc2nnc(CCCOc3ccccc3)s2)cc1[N+](=O)[O-] ZINC000009355777 206785430 /nfs/dbraw/zinc/78/54/30/206785430.db2.gz MHUFRHDEQQDNJV-UHFFFAOYSA-N 0 0 398.444 4.019 50 5 GIBARN O=C(NCc1ccco1)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000009356002 206785598 /nfs/dbraw/zinc/78/55/98/206785598.db2.gz WDXAJBRVRSKTAE-UHFFFAOYSA-N 0 0 399.790 4.024 50 5 GIBARN Cc1noc(/C=C/c2ccccc2OCC(=O)Nc2ccccc2)c1[N+](=O)[O-] ZINC000009295464 206782145 /nfs/dbraw/zinc/78/21/45/206782145.db2.gz RHBLGMGOQJTTFU-VAWYXSNFSA-N 0 0 379.372 4.079 50 5 GIBARN CNc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000010426867 206813244 /nfs/dbraw/zinc/81/32/44/206813244.db2.gz ANICYPAFZJAFRO-UHFFFAOYSA-N 0 0 397.460 4.099 50 5 GIBARN C[C@H](NC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000012564339 206914117 /nfs/dbraw/zinc/91/41/17/206914117.db2.gz ZAQLJGOLGPKHGQ-LBPRGKRZSA-N 0 0 396.369 4.086 50 5 GIBARN CSc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000012528273 206909269 /nfs/dbraw/zinc/90/92/69/206909269.db2.gz GMYKILFUOIDMPJ-UHFFFAOYSA-N 0 0 399.516 4.192 50 5 GIBARN Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000012765826 206934701 /nfs/dbraw/zinc/93/47/01/206934701.db2.gz MQYMUCMTYBZHCJ-LBPRGKRZSA-N 0 0 387.461 4.146 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012975162 206958094 /nfs/dbraw/zinc/95/80/94/206958094.db2.gz HOBQJBFBHYHJCA-UHFFFAOYSA-N 0 0 379.420 4.359 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1nc2c(s1)CCCC2 ZINC000014213943 207017072 /nfs/dbraw/zinc/01/70/72/207017072.db2.gz WUTSINKTEBSVQP-UHFFFAOYSA-N 0 0 389.480 4.129 50 5 GIBARN Cc1sc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)C)c1C ZINC000016676424 207075698 /nfs/dbraw/zinc/07/56/98/207075698.db2.gz JFHBEIXGXMSSEX-JXMROGBWSA-N 0 0 388.445 4.490 50 5 GIBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@H]1c1c(Cl)cccc1Cl ZINC000021091472 207225909 /nfs/dbraw/zinc/22/59/09/207225909.db2.gz CBVQCHCUFDIGRS-MRXNPFEDSA-N 0 0 380.187 4.141 50 5 GIBARN O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)s1 ZINC000023053324 207268916 /nfs/dbraw/zinc/26/89/16/207268916.db2.gz HIKZRNNUUOSFFR-UVTDQMKNSA-N 0 0 386.820 4.436 50 5 GIBARN Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000025033132 207299701 /nfs/dbraw/zinc/29/97/01/207299701.db2.gz MFUIMCSYROSETP-OAQYLSRUSA-N 0 0 386.411 4.299 50 5 GIBARN O=[N+]([O-])c1ccc(NCc2cccnc2OCC(F)(F)F)c2ccncc21 ZINC000025569336 207304611 /nfs/dbraw/zinc/30/46/11/207304611.db2.gz XMJGQNZPQBUQQJ-UHFFFAOYSA-N 0 0 378.310 4.091 50 5 GIBARN C[C@@H](Sc1ncc2ccccn21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000026371929 207313114 /nfs/dbraw/zinc/31/31/14/207313114.db2.gz ZCBNUFZAUSSFJR-SNVBAGLBSA-N 0 0 376.825 4.015 50 5 GIBARN C[C@H](Sc1ncc2ccccn21)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000026371931 207313143 /nfs/dbraw/zinc/31/31/43/207313143.db2.gz ZCBNUFZAUSSFJR-JTQLQIEISA-N 0 0 376.825 4.015 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCCn1ccc2ccccc21 ZINC000040068740 207336582 /nfs/dbraw/zinc/33/65/82/207336582.db2.gz MOJRCRIPFPUFSS-INIZCTEOSA-N 0 0 380.448 4.342 50 5 GIBARN C[C@@H](c1nc2ccccc2s1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000084667961 208096211 /nfs/dbraw/zinc/09/62/11/208096211.db2.gz ICLDWXFZHWYPDO-HNNXBMFYSA-N 0 0 382.489 4.083 50 5 GIBARN O=[N+]([O-])c1ccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)cc1 ZINC000095481699 208196017 /nfs/dbraw/zinc/19/60/17/208196017.db2.gz RLQOSNKTUVRQAG-UHFFFAOYSA-N 0 0 381.461 4.229 50 5 GIBARN O=C(COC(=O)c1c2ccccc2nc2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000000868259 208482445 /nfs/dbraw/zinc/48/24/45/208482445.db2.gz AFTLQZGWOKVPPI-UHFFFAOYSA-N 0 0 390.395 4.062 50 5 GIBARN O=Cc1ccc(OC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000000959447 208489460 /nfs/dbraw/zinc/48/94/60/208489460.db2.gz CUFSKSWQJZEYSS-UHFFFAOYSA-N 0 0 385.319 4.124 50 5 GIBARN O=c1c2c(nc(SCc3ccc([N+](=O)[O-])cc3)n1-c1ccccc1)CCS2 ZINC000002459459 208504103 /nfs/dbraw/zinc/50/41/03/208504103.db2.gz SFHAALQQTNTGAV-UHFFFAOYSA-N 0 0 397.481 4.081 50 5 GIBARN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000008149576 208693846 /nfs/dbraw/zinc/69/38/46/208693846.db2.gz GUJHYVFVVCQRLW-XUXNNNHQSA-N 0 0 378.494 4.015 50 5 GIBARN COc1ccc(C(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1[N+](=O)[O-] ZINC000031993818 208987696 /nfs/dbraw/zinc/98/76/96/208987696.db2.gz GKJCQRFOOKCESS-UHFFFAOYSA-N 0 0 387.392 4.042 50 5 GIBARN C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 ZINC000008748527 221055098 /nfs/dbraw/zinc/05/50/98/221055098.db2.gz FSVMVHJCJQPHPI-ZDUSSCGKSA-N 0 0 375.450 4.185 50 5 GIBARN CCCCOc1ccc(-c2cc(=O)oc(-c3cccc([N+](=O)[O-])c3O)n2)cc1 ZINC000015856501 221348848 /nfs/dbraw/zinc/34/88/48/221348848.db2.gz BKQQJVVZNKHGIS-UHFFFAOYSA-N 0 0 382.372 4.162 50 5 GIBARN O=C(c1ccc(O)cc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000095437061 136179064 /nfs/dbraw/zinc/17/90/64/136179064.db2.gz KVEPGLCGKHTXPM-UHFFFAOYSA-N 0 0 394.349 4.419 50 5 GIBARN COc1ccc(OC)c(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)c1 ZINC000002112823 136193229 /nfs/dbraw/zinc/19/32/29/136193229.db2.gz ABPPOUKYOONLLW-UHFFFAOYSA-N 0 0 389.407 4.320 50 5 GIBARN O=C1N[C@@H]2[C@H](Cc3cccc([N+](=O)[O-])c3)c3ccccc3CN2c2ccccc21 ZINC000004338629 136193853 /nfs/dbraw/zinc/19/38/53/136193853.db2.gz OHYRYMBSWUTISU-IRLDBZIGSA-N 0 0 385.423 4.011 50 5 GIBARN COc1cc2c(cc1OC)CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)CC2 ZINC000007155768 136195183 /nfs/dbraw/zinc/19/51/83/136195183.db2.gz FEZBUXNLIHPXSP-UHFFFAOYSA-N 0 0 382.338 4.194 50 5 GIBARN Cc1ccc(OC2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)cc1C ZINC000048273934 570226053 /nfs/dbraw/zinc/22/60/53/570226053.db2.gz SPWCOIHYQSRMSR-UHFFFAOYSA-N 0 0 380.448 4.062 50 5 GIBARN Cc1occc1C(=O)N1CCC(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000048251460 570226652 /nfs/dbraw/zinc/22/66/52/570226652.db2.gz UKQKRIAMSQXTJT-UHFFFAOYSA-N 0 0 397.353 4.232 50 5 GIBARN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000004839508 570306979 /nfs/dbraw/zinc/30/69/79/570306979.db2.gz DFCBNEBGRJIHKN-UHFFFAOYSA-N 0 0 394.258 4.172 50 5 GIBARN O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000012945633 570317064 /nfs/dbraw/zinc/31/70/64/570317064.db2.gz BYKDECUXOUUSQM-UHFFFAOYSA-N 0 0 376.372 4.491 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000117645537 570330817 /nfs/dbraw/zinc/33/08/17/570330817.db2.gz YIAQUUVMAJDWBI-UHFFFAOYSA-N 0 0 397.822 4.092 50 5 GIBARN CC(C)c1ccccc1N(C1CSC1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000004858583 570348113 /nfs/dbraw/zinc/34/81/13/570348113.db2.gz VEQZQTKXEHSMBZ-UHFFFAOYSA-N 0 0 392.502 4.029 50 5 GIBARN CCOc1ccc(OCCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000010900341 570352442 /nfs/dbraw/zinc/35/24/42/570352442.db2.gz JFQXOMTYJYAKLM-UHFFFAOYSA-N 0 0 392.839 4.074 50 5 GIBARN CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000004917973 570365335 /nfs/dbraw/zinc/36/53/35/570365335.db2.gz VWMZHQFDPWUUCQ-UHFFFAOYSA-N 0 0 380.356 4.284 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc(F)c2)c1)c1cccc(F)c1 ZINC000005007078 570393328 /nfs/dbraw/zinc/39/33/28/570393328.db2.gz KBBGGRCWSJYBNL-UHFFFAOYSA-N 0 0 397.337 4.378 50 5 GIBARN Cc1ccc(-n2c3ncn(CC(C)C)c(=O)c3c3nc4ccccc4nc32)cc1 ZINC000005021720 570398058 /nfs/dbraw/zinc/39/80/58/570398058.db2.gz OKALQAVNCSYZAN-UHFFFAOYSA-N 0 0 383.455 4.248 50 5 GIBARN CC(=O)c1ccc(Nc2cc(N3CCC[C@@H](C)C3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005024381 570399088 /nfs/dbraw/zinc/39/90/88/570399088.db2.gz YUXWTVJPRYZXAT-GFCCVEGCSA-N 0 0 395.419 4.314 50 5 GIBARN Cc1ccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])cc1 ZINC000005044387 570404663 /nfs/dbraw/zinc/40/46/63/570404663.db2.gz JLTNQBKUXUXAAC-UHFFFAOYSA-N 0 0 380.448 4.277 50 5 aggregator GIBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2nc3ccccc3o2)CC1 ZINC000035672605 570411681 /nfs/dbraw/zinc/41/16/81/570411681.db2.gz IHIOIHPJCONLIZ-UHFFFAOYSA-N 0 0 385.807 4.409 50 5 GIBARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005164932 570476353 /nfs/dbraw/zinc/47/63/53/570476353.db2.gz FLFWZMZCCJDKHW-UHFFFAOYSA-N 0 0 376.324 4.214 50 5 GIBARN COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000006559473 570477026 /nfs/dbraw/zinc/47/70/26/570477026.db2.gz YHCSFKZFYSSXIQ-AWEZNQCLSA-N 0 0 383.429 4.190 50 5 GIBARN COc1ccc(-c2nc(COc3cc(F)ccc3[N+](=O)[O-])cs2)cc1OC ZINC000005170188 570491249 /nfs/dbraw/zinc/49/12/49/570491249.db2.gz LSDPKAZIYGIGID-UHFFFAOYSA-N 0 0 390.392 4.454 50 5 GIBARN O=C(Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000005173430 570492602 /nfs/dbraw/zinc/49/26/02/570492602.db2.gz MTADNNSYPOLVMS-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl)c1ccco1 ZINC000005175624 570493420 /nfs/dbraw/zinc/49/34/20/570493420.db2.gz SCIDFOILHXKPSX-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN CCCCOC(=O)c1ccc(-n2c(=O)c3ccccc3c3ccccc3c2=O)cc1 ZINC000002716176 570509606 /nfs/dbraw/zinc/50/96/06/570509606.db2.gz AQUKCROGYVNNBQ-UHFFFAOYSA-N 0 0 399.446 4.461 50 5 GIBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(OCCOc2ccccc2)cc1 ZINC000008105404 570522331 /nfs/dbraw/zinc/52/23/31/570522331.db2.gz RGYZMQYBZJMIRK-UHFFFAOYSA-N 0 0 396.374 4.444 50 5 GIBARN Cn1c(Br)c(Br)nc1Sc1ccc([N+](=O)[O-])cc1 ZINC000006659066 570522896 /nfs/dbraw/zinc/52/28/96/570522896.db2.gz GVVPIODGZFRTFQ-UHFFFAOYSA-N 0 0 393.060 4.005 50 5 GIBARN O=C(Nc1ccc2c(=O)c3cccc(F)c3oc2c1)c1cccc([N+](=O)[O-])c1 ZINC000006660632 570523144 /nfs/dbraw/zinc/52/31/44/570523144.db2.gz CKSVQMBZRJEYHE-UHFFFAOYSA-N 0 0 378.315 4.246 50 5 GIBARN Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000005264812 570532687 /nfs/dbraw/zinc/53/26/87/570532687.db2.gz IAJVODOFRFQRRP-UHFFFAOYSA-N 0 0 394.412 4.348 50 5 GIBARN CCCNC(=O)c1nn(-c2ccc(C)cc2)c(Oc2ccccc2[N+](=O)[O-])c1C ZINC000006766833 570577092 /nfs/dbraw/zinc/57/70/92/570577092.db2.gz DHFITLSJGLUOMR-UHFFFAOYSA-N 0 0 394.431 4.329 50 5 GIBARN COc1ccccc1-n1c(N)c(-c2ccccc2)c2ccc([N+](=O)[O-])cc2c1=O ZINC000005396184 570581152 /nfs/dbraw/zinc/58/11/52/570581152.db2.gz JSIBRLGTUYEQTO-UHFFFAOYSA-N 0 0 387.395 4.157 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1 ZINC000005478021 570608088 /nfs/dbraw/zinc/60/80/88/570608088.db2.gz SQLPNFYPEOLVDY-UHFFFAOYSA-N 0 0 377.429 4.075 50 5 GIBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000036347284 570629219 /nfs/dbraw/zinc/62/92/19/570629219.db2.gz BPIJBPGMBYMFPU-NRFANRHFSA-N 0 0 392.415 4.300 50 5 GIBARN CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000006872016 570663654 /nfs/dbraw/zinc/66/36/54/570663654.db2.gz AWBMKRHIWOVOHG-AZUAARDMSA-N 0 0 395.415 4.083 50 5 GIBARN O=[N+]([O-])c1cc([S@](=O)C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1 ZINC000005595151 570666041 /nfs/dbraw/zinc/66/60/41/570666041.db2.gz DIAKURVCPJJYRG-RUZDIDTESA-N 0 0 387.364 4.250 50 5 GIBARN CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004614013 570666744 /nfs/dbraw/zinc/66/67/44/570666744.db2.gz AEOMELWRHSHWFU-UHFFFAOYSA-N 0 0 385.203 4.318 50 5 GIBARN O=C(N[C@@H](c1cccs1)c1ccccc1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000036395045 570678617 /nfs/dbraw/zinc/67/86/17/570678617.db2.gz CMDBMYJOARIGBR-QGZVFWFLSA-N 0 0 378.413 4.052 50 5 GIBARN CCC(=O)N(c1cccc(OC)c1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675659 570678833 /nfs/dbraw/zinc/67/88/33/570678833.db2.gz JZCZUAAASHDDGJ-UHFFFAOYSA-N 0 0 397.475 4.011 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)NCCOc1ccc(Cl)cc1 ZINC000036396667 570680826 /nfs/dbraw/zinc/68/08/26/570680826.db2.gz PQDGKAVYCJFDMN-ZDUSSCGKSA-N 0 0 377.828 4.030 50 5 GIBARN Cc1cccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])c1 ZINC000006912900 570700020 /nfs/dbraw/zinc/70/00/20/570700020.db2.gz IPNLWZXJJXUTNA-UHFFFAOYSA-N 0 0 389.477 4.212 50 5 GIBARN C[C@@H]1C[C@H](N2CN=C(SCc3ccc([N+](=O)[O-])cc3)NC2)CC(C)(C)C1 ZINC000004365420 570706628 /nfs/dbraw/zinc/70/66/28/570706628.db2.gz HPIRSHRPVUJCMB-PBHICJAKSA-N 0 0 376.526 4.219 50 5 GIBARN O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000006926328 570707773 /nfs/dbraw/zinc/70/77/73/570707773.db2.gz OOYWHZLXHPSODW-OVCLIPMQSA-N 0 0 390.804 4.190 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000004368225 570716642 /nfs/dbraw/zinc/71/66/42/570716642.db2.gz XVCAWBJNWONTKW-LBPRGKRZSA-N 0 0 378.812 4.280 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1Cl ZINC000005101312 570731344 /nfs/dbraw/zinc/73/13/44/570731344.db2.gz CGXLCOSXHFQXNA-UHFFFAOYSA-N 0 0 381.624 4.356 50 5 GIBARN Cc1cc(Br)ccc1OCc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001159413 570757595 /nfs/dbraw/zinc/75/75/95/570757595.db2.gz MXBAEPGFHKVGED-UHFFFAOYSA-N 0 0 390.193 4.295 50 5 GIBARN CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000001174592 570787482 /nfs/dbraw/zinc/78/74/82/570787482.db2.gz VUUBZKWYFSVINM-UHFFFAOYSA-N 0 0 393.852 4.082 50 5 GIBARN COc1ccc(Nc2nc(COC(=O)c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000005672308 570796569 /nfs/dbraw/zinc/79/65/69/570796569.db2.gz AWWZQNDBOTWHAP-UHFFFAOYSA-N 0 0 385.401 4.161 50 5 GIBARN COc1cc(C=C2SC(=S)NC2=O)c([N+](=O)[O-])cc1OCCC(C)C ZINC000004501960 570817249 /nfs/dbraw/zinc/81/72/49/570817249.db2.gz ZUFBRQFSGQVRBJ-VGOFMYFVSA-N 0 0 382.463 4.357 50 5 GIBARN Cn1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000004675057 570821230 /nfs/dbraw/zinc/82/12/30/570821230.db2.gz CJGABGUEBQDNDR-VCHYOVAHSA-N 0 0 393.424 4.323 50 5 GIBARN COc1cc(Br)c(CNc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000004685558 570828324 /nfs/dbraw/zinc/82/83/24/570828324.db2.gz VKGCPERCCMTYIW-UHFFFAOYSA-N 0 0 381.226 4.295 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H]1CCCc2ccccc21 ZINC000012528174 570832555 /nfs/dbraw/zinc/83/25/55/570832555.db2.gz ZNGBRYJKCOJFDO-LJQANCHMSA-N 0 0 396.490 4.391 50 5 GIBARN Cc1cc(C)cc(OCCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000065552917 570833935 /nfs/dbraw/zinc/83/39/35/570833935.db2.gz JRRBWEYMBKPRDW-UHFFFAOYSA-N 0 0 376.840 4.293 50 5 GIBARN COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c(O)c1 ZINC000007396510 570837037 /nfs/dbraw/zinc/83/70/37/570837037.db2.gz QHXMJYLEPMLYLK-UHFFFAOYSA-N 0 0 376.364 4.017 50 5 GIBARN COC(CCCC(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000170619844 570876361 /nfs/dbraw/zinc/87/63/61/570876361.db2.gz ASQPAGBAFMMUAA-UHFFFAOYSA-N 0 0 387.864 4.185 50 5 GIBARN Cc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000009883523 570886287 /nfs/dbraw/zinc/88/62/87/570886287.db2.gz SUEUNACLMJUSJB-UHFFFAOYSA-N 0 0 379.372 4.108 50 5 GIBARN Cc1ccc(C(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004687400 570897321 /nfs/dbraw/zinc/89/73/21/570897321.db2.gz OPKMXSJVDPOJSK-UHFFFAOYSA-N 0 0 381.354 4.154 50 5 aggregator GIBARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000004740453 570906397 /nfs/dbraw/zinc/90/63/97/570906397.db2.gz SKQZOYPBDOBXEG-UHFFFAOYSA-N 0 0 385.420 4.230 50 5 GIBARN Cc1c2ccccc2oc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004581797 570913214 /nfs/dbraw/zinc/91/32/14/570913214.db2.gz QGYWKAGNOUFROC-UHFFFAOYSA-N 0 0 388.763 4.098 50 5 GIBARN O=C(NCc1ccccc1COCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000032925099 570935299 /nfs/dbraw/zinc/93/52/99/570935299.db2.gz BLVRJYXXJOMJOF-UHFFFAOYSA-N 0 0 376.412 4.242 50 5 GIBARN O=c1c2cc([N+](=O)[O-])ccc2ncn1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000010618139 570938121 /nfs/dbraw/zinc/93/81/21/570938121.db2.gz SDKOVEYJLPIOKG-UHFFFAOYSA-N 0 0 398.831 4.130 50 5 GIBARN Cc1cccc(CSc2nc3nccc(-c4cccc([N+](=O)[O-])c4)n3n2)c1 ZINC000004736760 570951476 /nfs/dbraw/zinc/95/14/76/570951476.db2.gz HDOGNRBSIDCHQU-UHFFFAOYSA-N 0 0 377.429 4.300 50 5 GIBARN O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCc2ccc(O)cc2C1 ZINC000052865638 570951883 /nfs/dbraw/zinc/95/18/83/570951883.db2.gz ZQXXQEOBKXHWJM-UHFFFAOYSA-N 0 0 398.802 4.412 50 5 GIBARN CCNc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000012734100 570976820 /nfs/dbraw/zinc/97/68/20/570976820.db2.gz MCQDIOQLTRHNAN-GFCCVEGCSA-N 0 0 385.420 4.001 50 5 GIBARN O=C(Nc1cccc(Cl)c1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000004809640 570995841 /nfs/dbraw/zinc/99/58/41/570995841.db2.gz MRALWYHQBGJNBG-CQSZACIVSA-N 0 0 376.796 4.058 50 5 GIBARN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000045797504 570996655 /nfs/dbraw/zinc/99/66/55/570996655.db2.gz IQMWGHDPIJMZBJ-JTQLQIEISA-N 0 0 389.260 4.082 50 5 GIBARN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084383270 571015905 /nfs/dbraw/zinc/01/59/05/571015905.db2.gz MVWKSTXMRFNNPB-HZPDHXFCSA-N 0 0 383.404 4.143 50 5 GIBARN O=C(COc1ccc(Oc2ccncc2)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000084414867 571017019 /nfs/dbraw/zinc/01/70/19/571017019.db2.gz VJZOFQBUQIZUEN-UHFFFAOYSA-N 0 0 399.790 4.453 50 5 GIBARN Cc1cccc(C(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1[N+](=O)[O-] ZINC000012777683 571031538 /nfs/dbraw/zinc/03/15/38/571031538.db2.gz JRTDLWQIMWFHGW-UHFFFAOYSA-N 0 0 389.383 4.481 50 5 GIBARN CC(C)Cn1c2[nH]c3c(nc4ccccc4c3-c3ccccc3)c2c(=O)n(C)c1=O ZINC000007778770 571036640 /nfs/dbraw/zinc/03/66/40/571036640.db2.gz FFPKISVNCHSYRL-UHFFFAOYSA-N 0 0 398.466 4.053 50 5 GIBARN Cc1nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c(=O)n1CC(C)C ZINC000002246131 817380893 /nfs/dbraw/zinc/38/08/93/817380893.db2.gz YABKWCAMQZQBMH-UHFFFAOYSA-N 0 0 383.455 4.248 50 5 GIBARN COc1ccc2c(c1)oc1nc(-c3ccccc3)n(-c3ccccc3)c(=O)c1c2=O ZINC000002436813 817389364 /nfs/dbraw/zinc/38/93/64/817389364.db2.gz MMHGSUIGVLKRFK-UHFFFAOYSA-N 0 0 396.402 4.168 50 5 GIBARN CCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cccc(C)c3nc21 ZINC000002448466 817389784 /nfs/dbraw/zinc/38/97/84/817389784.db2.gz YOQUUEFBNVMLMI-UHFFFAOYSA-N 0 0 375.388 4.073 50 5 GIBARN CC(=O)C1=NN(c2ccc(C)c(C)c2)[C@H](c2ccc([N+](=O)[O-])o2)N1C(C)(C)C ZINC000002502426 817391575 /nfs/dbraw/zinc/39/15/75/817391575.db2.gz CNXMGYOHQPZJTP-LJQANCHMSA-N 0 0 384.436 4.326 50 5 GIBARN O=C(NCCSc1c[nH]c2ccccc12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002721004 817398119 /nfs/dbraw/zinc/39/81/19/817398119.db2.gz CLLQZVNFTGUWDQ-UHFFFAOYSA-N 0 0 375.837 4.252 50 5 GIBARN CCc1c(C)sc2ncn3nc([C@@H](C)Oc4ccccc4[N+](=O)[O-])nc3c12 ZINC000002790335 817400497 /nfs/dbraw/zinc/40/04/97/817400497.db2.gz QVXGSUCHBZHKTQ-SNVBAGLBSA-N 0 0 383.433 4.258 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCSCc1c(F)cccc1Cl ZINC000002813443 817402712 /nfs/dbraw/zinc/40/27/12/817402712.db2.gz IPROIRBCLBIEBH-BQYQJAHWSA-N 0 0 394.855 4.450 50 5 GIBARN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002849312 817403326 /nfs/dbraw/zinc/40/33/26/817403326.db2.gz JUJVOPYEGIMYBE-UHFFFAOYSA-N 0 0 388.836 4.137 50 5 GIBARN O=[N+]([O-])c1ccc2[nH]c(=NNc3ccccc3)c(=NNc3ccccc3)[nH]c2c1 ZINC000002861805 817404235 /nfs/dbraw/zinc/40/42/35/817404235.db2.gz UYQBBOHMWCESNJ-UHFFFAOYSA-N 0 0 387.403 4.416 50 5 GIBARN CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000003415535 817452111 /nfs/dbraw/zinc/45/21/11/817452111.db2.gz KDICOFPOCNRHMH-UHFFFAOYSA-N 0 0 390.823 4.495 50 5 GIBARN CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OCC ZINC000004070584 817500513 /nfs/dbraw/zinc/50/05/13/817500513.db2.gz RVCSTIKFIDJJDZ-YRNVUSSQSA-N 0 0 386.404 4.053 50 5 GIBARN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000004091684 817503420 /nfs/dbraw/zinc/50/34/20/817503420.db2.gz RWZXUTZRUVTINA-UHFFFAOYSA-N 0 0 391.452 4.240 50 5 GIBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000004107408 817504072 /nfs/dbraw/zinc/50/40/72/817504072.db2.gz JEAOUQIAFYHAEM-VQHVLOKHSA-N 0 0 396.428 4.237 50 5 GIBARN COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O ZINC000004142510 817506914 /nfs/dbraw/zinc/50/69/14/817506914.db2.gz HQCBMSSGZLMNBC-ZRDIBKRKSA-N 0 0 389.367 4.066 50 5 GIBARN CC(=O)Oc1cc2sc3ccccc3[nH]c2c2c(=O)c3ccccc3c(=O)c12 ZINC000004256089 817514462 /nfs/dbraw/zinc/51/44/62/817514462.db2.gz INYFLZWDOVMJQR-UHFFFAOYSA-N 0 0 387.416 4.335 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1cccnc1)c1nc2c(cccc2F)s1 ZINC000004273253 817515397 /nfs/dbraw/zinc/51/53/97/817515397.db2.gz MKFKGKLSUDGVPJ-UHFFFAOYSA-N 0 0 398.375 4.179 50 5 GIBARN CC(C)[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 ZINC000007781469 817913984 /nfs/dbraw/zinc/91/39/84/817913984.db2.gz ZOBUAVZZELEFDJ-XBFAEUMISA-N 0 0 396.443 4.283 50 5 GIBARN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2c(c1)OCO2 ZINC000007889575 817953002 /nfs/dbraw/zinc/95/30/02/817953002.db2.gz BZGWLEJEYHFBJR-HXUWFJFHSA-N 0 0 389.367 4.095 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1OCCOc1ccccc1 ZINC000008158043 818009153 /nfs/dbraw/zinc/00/91/53/818009153.db2.gz BKHXKRTXVNVHNC-UHFFFAOYSA-N 0 0 378.384 4.305 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1cccc(C(F)(F)F)c1 ZINC000012655248 818174861 /nfs/dbraw/zinc/17/48/61/818174861.db2.gz XJBMXIDOMRAJNL-UHFFFAOYSA-N 0 0 396.350 4.221 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1NC(=O)c1cccs1 ZINC000058310034 823377286 /nfs/dbraw/zinc/37/72/86/823377286.db2.gz MPPKXDFXBXAYNZ-UHFFFAOYSA-N 0 0 381.413 4.090 50 5 GIBARN O=C(c1ccccc1)c1ccc(Sc2nnc3n2CCCCC3)c([N+](=O)[O-])c1 ZINC000058378179 823383949 /nfs/dbraw/zinc/38/39/49/823383949.db2.gz YOGISBVLLNLWOT-UHFFFAOYSA-N 0 0 394.456 4.295 50 5 GIBARN C[C@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000058393719 823385578 /nfs/dbraw/zinc/38/55/78/823385578.db2.gz XPXDCUXKMHWVBW-AWEZNQCLSA-N 0 0 377.400 4.187 50 5 GIBARN Cn1c2ccccc2nc1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000058426748 823389783 /nfs/dbraw/zinc/38/97/83/823389783.db2.gz YPDRVLNSJBMESK-HXUWFJFHSA-N 0 0 386.411 4.001 50 5 GIBARN Cc1sc(-c2cccc([N+](=O)[O-])c2)nc1-c1ccc(NS(C)(=O)=O)cc1 ZINC000055050718 822935361 /nfs/dbraw/zinc/93/53/61/822935361.db2.gz BXZHUYUHEOSWGS-UHFFFAOYSA-N 0 0 389.458 4.065 50 5 GIBARN COC(=O)c1cncnc1/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000170612941 823920851 /nfs/dbraw/zinc/92/08/51/823920851.db2.gz YSKCIEITINYNPX-KRXBUXKQSA-N 0 0 395.346 4.273 50 5 GIBARN Cc1cc(C(=O)Oc2ccccc2C(=O)Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000001100774 209116593 /nfs/dbraw/zinc/11/65/93/209116593.db2.gz MZYBETNFSOKTKD-UHFFFAOYSA-N 0 0 377.352 4.342 50 5 GIBARN CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1 ZINC000000654247 206313652 /nfs/dbraw/zinc/31/36/52/206313652.db2.gz IFVIGNROMGMRCE-UHFFFAOYSA-N 0 0 385.449 4.112 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Oc1cccc(Br)c1 ZINC000000934669 206334118 /nfs/dbraw/zinc/33/41/18/206334118.db2.gz JXWSNHYPEGXEPV-NSHDSACASA-N 0 0 379.210 4.072 50 5 GIBARN O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001068260 206348159 /nfs/dbraw/zinc/34/81/59/206348159.db2.gz CCACFHBQEJMMNK-WJDWOHSUSA-N 0 0 378.315 4.338 50 5 GIBARN O=C1c2ccccc2N[C@@H](c2cc3c(cc2[N+](=O)[O-])OCO3)N1c1ccccc1 ZINC000001089435 206351158 /nfs/dbraw/zinc/35/11/58/206351158.db2.gz REXLDFGVCFKFPF-HXUWFJFHSA-N 0 0 389.367 4.095 50 5 GIBARN O=C(CSc1c2ccccc2oc(=O)c1[N+](=O)[O-])Nc1cccc(Cl)c1 ZINC000001107833 206351893 /nfs/dbraw/zinc/35/18/93/206351893.db2.gz AJNWXRFJCRXORK-UHFFFAOYSA-N 0 0 390.804 4.085 50 5 GIBARN O=C(COc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000001111843 206354076 /nfs/dbraw/zinc/35/40/76/206354076.db2.gz WIEXCOPQRPQBMZ-UHFFFAOYSA-N 0 0 394.358 4.248 50 5 GIBARN O=C(O[C@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000001406580 206379479 /nfs/dbraw/zinc/37/94/79/206379479.db2.gz DSQVOWOSMHYSOX-QRRJMBGHSA-N 0 0 382.391 4.026 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1C)CCC3 ZINC000001150503 206359381 /nfs/dbraw/zinc/35/93/81/206359381.db2.gz 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Cc1ccc(NC(=O)[C@@H](OC(=O)[C@@H]2CC=CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006290917 570363710 /nfs/dbraw/zinc/36/37/10/570363710.db2.gz WUFSWNXTXVOHCA-XLIONFOSSA-N 0 0 394.427 4.483 50 5 GIBARN Cc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])c(C)c3)C(C)C)n2)cc1 ZINC000004958769 570381649 /nfs/dbraw/zinc/38/16/49/570381649.db2.gz KOSUWEWNVCOGKF-UHFFFAOYSA-N 0 0 394.431 4.312 50 5 GIBARN COc1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)c([N+](=O)[O-])c1 ZINC000005034580 570403231 /nfs/dbraw/zinc/40/32/31/570403231.db2.gz XBHULVPSAUGPMR-UHFFFAOYSA-N 0 0 378.384 4.456 50 5 GIBARN COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000005064094 570409010 /nfs/dbraw/zinc/40/90/10/570409010.db2.gz VNRXIOOTFRECIH-UHFFFAOYSA-N 0 0 379.210 4.235 50 5 GIBARN [O-][n+]1c2ccccc2[n+]([O-])c2cc3[nH]c(-c4c(Cl)cccc4Cl)nc3cc21 ZINC000005739566 570454700 /nfs/dbraw/zinc/45/47/00/570454700.db2.gz UIUOLIDOCBJWFF-UHFFFAOYSA-N 0 0 397.221 4.110 50 5 GIBARN C[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12)c1ccccc1 ZINC000035870197 570468508 /nfs/dbraw/zinc/46/85/08/570468508.db2.gz PBUSDTBIYYQWGU-PAXLWEDBSA-N 0 0 379.460 4.003 50 5 GIBARN CCc1ccccc1OCC(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000006549634 570472943 /nfs/dbraw/zinc/47/29/43/570472943.db2.gz YFYSREJKTGGQNL-UHFFFAOYSA-N 0 0 383.429 4.298 50 5 GIBARN CC(=O)Nc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000006804523 570493550 /nfs/dbraw/zinc/49/35/50/570493550.db2.gz KORUIFDWCUUZBC-UHFFFAOYSA-N 0 0 386.407 4.261 50 5 GIBARN CCOc1ccccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000005199941 570501106 /nfs/dbraw/zinc/50/11/06/570501106.db2.gz TUJNUAMHKHSIJA-HNNXBMFYSA-N 0 0 383.448 4.482 50 5 GIBARN CC(=O)Oc1cn(CCc2ccccc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000005236116 570524603 /nfs/dbraw/zinc/52/46/03/570524603.db2.gz TWKGUMQMNMAKJS-UHFFFAOYSA-N 0 0 384.439 4.314 50 5 GIBARN NC(=O)[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)c1ccccc1 ZINC000008744843 570539350 /nfs/dbraw/zinc/53/93/50/570539350.db2.gz WIIMCBDDJLVCKE-IBGZPJMESA-N 0 0 384.464 4.354 50 5 GIBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000006720412 570548460 /nfs/dbraw/zinc/54/84/60/570548460.db2.gz GHFJMRBGGQLLPO-UHFFFAOYSA-N 0 0 391.214 4.399 50 5 GIBARN O=C([C@H]1CC=CCC1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000032983663 570572522 /nfs/dbraw/zinc/57/25/22/570572522.db2.gz GYVVQLWFFVABRU-INIZCTEOSA-N 0 0 396.447 4.272 50 5 GIBARN C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)c1cccc(-n2cncn2)c1 ZINC000225438970 570574112 /nfs/dbraw/zinc/57/41/12/570574112.db2.gz ORZDFGSUQNELKU-MRXNPFEDSA-N 0 0 393.450 4.460 50 5 GIBARN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCCO2 ZINC000005405718 570587430 /nfs/dbraw/zinc/58/74/30/570587430.db2.gz PIMLVXDDWOPGFU-GOSISDBHSA-N 0 0 390.823 4.147 50 5 GIBARN CC(C)CCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(F)cc1 ZINC000005427945 570590742 /nfs/dbraw/zinc/59/07/42/570590742.db2.gz NAUBPECPFSANHO-UHFFFAOYSA-N 0 0 391.446 4.101 50 5 GIBARN COc1ccc(OCCOC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000005449584 570595793 /nfs/dbraw/zinc/59/57/93/570595793.db2.gz QTQCTPCLNIALSH-UHFFFAOYSA-N 0 0 383.356 4.099 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000006824968 570623816 /nfs/dbraw/zinc/62/38/16/570623816.db2.gz KUWBKGMPUUIILW-UHFFFAOYSA-N 0 0 386.795 4.003 50 5 GIBARN Cc1cc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)ccc1[N+](=O)[O-] ZINC000064980068 570624569 /nfs/dbraw/zinc/62/45/69/570624569.db2.gz DQFWVKQTTKOMQK-UHFFFAOYSA-N 0 0 390.403 4.480 50 5 GIBARN CCOc1ccc2c(c1[N+](=O)[O-])/C(=C(\C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2 ZINC000004594565 570627195 /nfs/dbraw/zinc/62/71/95/570627195.db2.gz PZZKSRRVUISBRV-LUAWRHEFSA-N 0 0 380.571 4.250 50 5 GIBARN COc1ccc([C@H]2c3cccn3CCCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347557 570629822 /nfs/dbraw/zinc/62/98/22/570629822.db2.gz IERFYPBGNXFFRD-QFIPXVFZSA-N 0 0 377.444 4.400 50 5 GIBARN O=[N+]([O-])c1ccc([C@@H]2c3cccn3CCCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347760 570630246 /nfs/dbraw/zinc/63/02/46/570630246.db2.gz DDEORTKNVKVSBV-OAQYLSRUSA-N 0 0 392.415 4.300 50 5 GIBARN Cc1ccc2cc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)(C)C)c(=O)[nH]c2c1 ZINC000013750296 570674537 /nfs/dbraw/zinc/67/45/37/570674537.db2.gz WQPMACUQHWPSEJ-UHFFFAOYSA-N 0 0 393.443 4.186 50 5 GIBARN CN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000025254462 570745073 /nfs/dbraw/zinc/74/50/73/570745073.db2.gz DXECVJPWSTVWBK-UHFFFAOYSA-N 0 0 398.422 4.477 50 5 GIBARN CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001120327 570754751 /nfs/dbraw/zinc/75/47/51/570754751.db2.gz HQEYNMKCMUNTTG-ONNFQVAWSA-N 0 0 387.823 4.495 50 5 GIBARN COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000001170829 570787015 /nfs/dbraw/zinc/78/70/15/570787015.db2.gz UCRSSYZXBOCTCR-IZZDOVSWSA-N 0 0 395.440 4.303 50 5 GIBARN Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2c1 ZINC000001170944 570787106 /nfs/dbraw/zinc/78/71/06/570787106.db2.gz XGTPLSKNYNSLQG-UHFFFAOYSA-N 0 0 398.802 4.453 50 5 aggregator GIBARN CCOc1cc(C=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 ZINC000001173404 570787405 /nfs/dbraw/zinc/78/74/05/570787405.db2.gz XBSBTMHPLUSZRD-UHFFFAOYSA-N 0 0 380.194 4.148 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000032755155 570797757 /nfs/dbraw/zinc/79/77/57/570797757.db2.gz YWSCGVIDJZGHNF-UHFFFAOYSA-N 0 0 385.420 4.431 50 5 GIBARN Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000012462175 570804998 /nfs/dbraw/zinc/80/49/98/570804998.db2.gz GXVHPKCGWFYFNF-KPKJPENVSA-N 0 0 399.410 4.289 50 5 GIBARN Cc1ccc2nc(Cc3ccccc3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)n2c1 ZINC000034913115 570809057 /nfs/dbraw/zinc/80/90/57/570809057.db2.gz PYNSEEREFDZXRT-UHFFFAOYSA-N 0 0 386.411 4.394 50 5 GIBARN CC(=O)c1ccc(Oc2ncccc2[N+](=O)[O-])c(CSC2=NCCS2)c1 ZINC000005688445 570809814 /nfs/dbraw/zinc/80/98/14/570809814.db2.gz WBBIEYJLSQNGKC-UHFFFAOYSA-N 0 0 389.458 4.321 50 5 GIBARN CN(Cc1ccc(F)cc1F)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012537174 570836698 /nfs/dbraw/zinc/83/66/98/570836698.db2.gz MGOXRSGUOJGNBL-UHFFFAOYSA-N 0 0 392.405 4.092 50 5 GIBARN C[C@H](NC(=O)NCCNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000032863035 570861205 /nfs/dbraw/zinc/86/12/05/570861205.db2.gz BXBIPRIKTJQHEX-NSHDSACASA-N 0 0 397.262 4.374 50 5 GIBARN C[C@@H](Nc1ncccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170616195 570873872 /nfs/dbraw/zinc/87/38/72/570873872.db2.gz NAYVNFXLZINFQX-SNVBAGLBSA-N 0 0 388.225 4.316 50 5 GIBARN CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000004553361 570880225 /nfs/dbraw/zinc/88/02/25/570880225.db2.gz WKFWZHNEBYLTNX-VQHVLOKHSA-N 0 0 387.823 4.495 50 5 GIBARN O=C(CCSc1nccn1-c1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000032903424 570899920 /nfs/dbraw/zinc/89/99/20/570899920.db2.gz JUNJMZBKZMFFHP-UHFFFAOYSA-N 0 0 386.408 4.041 50 5 GIBARN Cc1cc(C)c(NC(=O)CN(C)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000032906208 570904674 /nfs/dbraw/zinc/90/46/74/570904674.db2.gz ZOLYBXXPIABAIO-UHFFFAOYSA-N 0 0 378.432 4.143 50 5 GIBARN O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000005737187 570913181 /nfs/dbraw/zinc/91/31/81/570913181.db2.gz XDLIHLDZGQTQLB-HXUWFJFHSA-N 0 0 391.383 4.217 50 5 GIBARN CN(C(=O)c1cccc([N+](=O)[O-])c1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078437 570930768 /nfs/dbraw/zinc/93/07/68/570930768.db2.gz LGHFUZQTURDULX-UHFFFAOYSA-N 0 0 398.488 4.191 50 5 GIBARN CCN1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2[C@@]1(O)c1ccccc1 ZINC000002149525 570967917 /nfs/dbraw/zinc/96/79/17/570967917.db2.gz LPFQMSKRAJNKOH-NRFANRHFSA-N 0 0 391.383 4.203 50 5 GIBARN COc1ccc(Nc2nc(C)nc(Nc3ccc(OC)cc3)c2[N+](=O)[O-])cc1 ZINC000004164045 570968061 /nfs/dbraw/zinc/96/80/61/570968061.db2.gz SZKLSJUAZZQPMH-UHFFFAOYSA-N 0 0 381.392 4.198 50 5 GIBARN Cc1ccccc1Cc1cnc(NC(=O)N2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC000170643960 570969939 /nfs/dbraw/zinc/96/99/39/570969939.db2.gz XFMPKDFYIIIAHJ-UHFFFAOYSA-N 0 0 394.456 4.498 50 5 GIBARN CCNc1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000012734098 570976836 /nfs/dbraw/zinc/97/68/36/570976836.db2.gz MCQDIOQLTRHNAN-LBPRGKRZSA-N 0 0 385.420 4.001 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@H](c2ccccc2)C1 ZINC000084525609 571021600 /nfs/dbraw/zinc/02/16/00/571021600.db2.gz DEXMFGHBZDOWEV-HNNXBMFYSA-N 0 0 397.309 4.100 50 5 GIBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2ccncc2)c1 ZINC000037522517 571023918 /nfs/dbraw/zinc/02/39/18/571023918.db2.gz FGLZPNZNFFUCRX-HXUWFJFHSA-N 0 0 382.851 4.440 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CSC3)cc1 ZINC000002483560 817391286 /nfs/dbraw/zinc/39/12/86/817391286.db2.gz KWDZRZLZJZDFOL-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000002628664 817394102 /nfs/dbraw/zinc/39/41/02/817394102.db2.gz AYYBTRKDSAFRLP-UHFFFAOYSA-N 0 0 398.422 4.378 50 5 aggregator GIBARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 ZINC000002835589 817402474 /nfs/dbraw/zinc/40/24/74/817402474.db2.gz RRWDSSWLRJOECD-UHFFFAOYSA-N 0 0 391.811 4.004 50 5 GIBARN Cc1cc(N2C(=O)CS[C@@H]2c2ccccc2[N+](=O)[O-])ccc1Br ZINC000002949305 817408018 /nfs/dbraw/zinc/40/80/18/817408018.db2.gz LGLZTDNYGHTEBN-MRXNPFEDSA-N 0 0 393.262 4.444 50 5 GIBARN O=C(CCC1CCCC1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000003008078 817410906 /nfs/dbraw/zinc/41/09/06/817410906.db2.gz UYYUKLHSGQQUEV-UHFFFAOYSA-N 0 0 386.477 4.436 50 5 GIBARN CCOc1ccc(Nc2ncccc2C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000003278590 817431465 /nfs/dbraw/zinc/43/14/65/817431465.db2.gz XIAOSOWGAVZHNI-UHFFFAOYSA-N 0 0 393.399 4.489 50 5 GIBARN C[C@@H]1CCc2sc(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2C1 ZINC000003429245 817454108 /nfs/dbraw/zinc/45/41/08/817454108.db2.gz XHWWWLFUCLTQNL-LLVKDONJSA-N 0 0 389.429 4.005 50 5 GIBARN O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000003880207 817495026 /nfs/dbraw/zinc/49/50/26/817495026.db2.gz DKWPNHNWEMFWEU-UHFFFAOYSA-N 0 0 387.439 4.224 50 5 GIBARN COC(=O)c1ccc(NCCc2csc(-c3ccc(C)cc3)n2)c([N+](=O)[O-])c1 ZINC000004051729 817499390 /nfs/dbraw/zinc/49/93/90/817499390.db2.gz ATUMNUCZSFGITC-UHFFFAOYSA-N 0 0 397.456 4.468 50 5 GIBARN COc1cc(OC)c(CNc2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000004309325 817518922 /nfs/dbraw/zinc/51/89/22/817518922.db2.gz BZTNKRLKYKTGNW-UHFFFAOYSA-N 0 0 381.226 4.295 50 5 GIBARN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CNc1ccc2c(c1)oc1ccccc12 ZINC000004320310 817520698 /nfs/dbraw/zinc/52/06/98/817520698.db2.gz GFVOLSOBQDGPBB-UHFFFAOYSA-N 0 0 387.351 4.160 50 5 GIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000008062671 817991403 /nfs/dbraw/zinc/99/14/03/817991403.db2.gz REPBGADAUKIUPS-CYBMUJFWSA-N 0 0 380.853 4.131 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008115125 818002766 /nfs/dbraw/zinc/00/27/66/818002766.db2.gz VYWLITWFAFCMKK-NRFANRHFSA-N 0 0 394.452 4.209 50 5 GIBARN CC(=O)c1ccc(NC[C@@H](c2c(F)cccc2Cl)N(C)C)c([N+](=O)[O-])c1 ZINC000057697192 823322834 /nfs/dbraw/zinc/32/28/34/823322834.db2.gz ONQQPQIKUYDQBL-KRWDZBQOSA-N 0 0 379.819 4.305 50 5 GIBARN C[C@H](OC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccccc1[N+](=O)[O-] ZINC000058004750 823354261 /nfs/dbraw/zinc/35/42/61/823354261.db2.gz YDRODFDHGORDMU-ZDUSSCGKSA-N 0 0 399.378 4.411 50 5 GIBARN COc1ccc2cc(COC(=O)c3ccc([N+](=O)[O-])s3)c(Cl)nc2c1 ZINC000022011236 818763542 /nfs/dbraw/zinc/76/35/42/818763542.db2.gz YHVHENJZUKOWQV-UHFFFAOYSA-N 0 0 378.793 4.224 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCc1ccc(-n2ccnc2)nc1 ZINC000022227726 818784427 /nfs/dbraw/zinc/78/44/27/818784427.db2.gz DRHCZCJISNGVMX-UHFFFAOYSA-N 0 0 397.744 4.460 50 5 GIBARN Cc1cc(-n2c(C)cc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)c2C)no1 ZINC000022325747 818794037 /nfs/dbraw/zinc/79/40/37/818794037.db2.gz KTXRUVNIKFRZRF-AWEZNQCLSA-N 0 0 382.420 4.132 50 5 GIBARN Cc1c(C(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000022476499 818813463 /nfs/dbraw/zinc/81/34/63/818813463.db2.gz INZLQLSIQZLRAH-UHFFFAOYSA-N 0 0 390.321 4.360 50 5 GIBARN O=[N+]([O-])c1c2nonc2c(Nc2cccc(O)c2)cc1NCc1ccccc1 ZINC000023114671 818899785 /nfs/dbraw/zinc/89/97/85/818899785.db2.gz BDVVMTSGTSKKFI-UHFFFAOYSA-N 0 0 377.360 4.192 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1c(-c2ccc(F)cc2)nc2sccn21 ZINC000025738081 820020126 /nfs/dbraw/zinc/02/01/26/820020126.db2.gz AUPNEPLRMNKGRP-UHFFFAOYSA-N 0 0 396.403 4.291 50 5 GIBARN CC(C)Sc1ncc(Cl)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000028287105 820322686 /nfs/dbraw/zinc/32/26/86/820322686.db2.gz RPIDJMZUDKFIIQ-UHFFFAOYSA-N 0 0 377.813 4.256 50 5 GIBARN CCOCc1cc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)ccc1OC ZINC000040013215 821125238 /nfs/dbraw/zinc/12/52/38/821125238.db2.gz SLJYNMZRDHNOGM-UHFFFAOYSA-N 0 0 392.839 4.066 50 5 GIBARN Cc1c(CN2C(=O)N[C@](C)(c3cccc4ccccc43)C2=O)cccc1[N+](=O)[O-] ZINC000040116366 821141168 /nfs/dbraw/zinc/14/11/68/821141168.db2.gz QEITZTAXANARAS-JOCHJYFZSA-N 0 0 389.411 4.024 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054783634 822912714 /nfs/dbraw/zinc/91/27/14/822912714.db2.gz ZMZBODHHSNLEEZ-SCLBCKFNSA-N 0 0 387.411 4.350 50 5 GIBARN COC(=O)/C=C/c1ccc(N[C@@H]2CCCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000064916426 823911657 /nfs/dbraw/zinc/91/16/57/823911657.db2.gz FFBLNOPXVCOVIU-DXWDOBMASA-N 0 0 386.379 4.246 50 5 GIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCCC[C@@H]2c2cccc(F)c2)cc1 ZINC000064983970 823922336 /nfs/dbraw/zinc/92/23/36/823922336.db2.gz NZMSGALJDCOHBK-GOSISDBHSA-N 0 0 378.425 4.040 50 5 GIBARN C[C@H](Sc1nc(-c2ccc(F)cc2)c[nH]1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000017750000 210210770 /nfs/dbraw/zinc/21/07/70/210210770.db2.gz LCRGRPDEQOJUGR-NSHDSACASA-N 0 0 386.408 4.243 50 5 GIBARN CC[C@H]1CCCCN1c1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000015833831 210172397 /nfs/dbraw/zinc/17/23/97/210172397.db2.gz XAUKANUCVIDQJC-INIZCTEOSA-N 0 0 379.420 4.476 50 5 GIBARN O=C(C1CCCCC1)n1nc(-c2ccco2)nc1NCc1cccc([N+](=O)[O-])c1 ZINC000013844114 210094304 /nfs/dbraw/zinc/09/43/04/210094304.db2.gz IRNVXEAKTKZDMU-UHFFFAOYSA-N 0 0 395.419 4.279 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)Nc2ccn(Cc3ccccc3Cl)n2)cc1 ZINC000013330835 210057383 /nfs/dbraw/zinc/05/73/83/210057383.db2.gz BHRIIXJCTLHRGY-UHFFFAOYSA-N 0 0 387.852 4.302 50 5 GIBARN C[C@@H]1C[C@H](C)CN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])C1 ZINC000013153886 210052743 /nfs/dbraw/zinc/05/27/43/210052743.db2.gz LYIIIUYETRXFHT-IYBDPMFKSA-N 0 0 377.444 4.381 50 5 GIBARN Cc1nc2[nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2cc1Br ZINC000013125656 210051201 /nfs/dbraw/zinc/05/12/01/210051201.db2.gz UYYPTSVUGCHBAV-UHFFFAOYSA-N 0 0 379.239 4.229 50 5 GIBARN Cc1nc(-c2ccc(CNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cs1 ZINC000012928885 210031575 /nfs/dbraw/zinc/03/15/75/210031575.db2.gz GLGIZSVZWDMWRW-UHFFFAOYSA-N 0 0 377.809 4.203 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cccc(OCc2cscn2)c1 ZINC000012866699 210020486 /nfs/dbraw/zinc/02/04/86/210020486.db2.gz UONCNIJXYBZACH-CQSZACIVSA-N 0 0 397.456 4.464 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3cccc(C)c3[N+](=O)[O-])s2)cs1 ZINC000012396344 209948795 /nfs/dbraw/zinc/94/87/95/209948795.db2.gz ILQOTAJUWXSTAG-UHFFFAOYSA-N 0 0 387.486 4.369 50 5 GIBARN COc1cc(C(=O)N2CCC(CCc3ccccc3)CC2)c([N+](=O)[O-])cc1OC ZINC000011452238 209873436 /nfs/dbraw/zinc/87/34/36/209873436.db2.gz KOZKBRDWIPSEDM-UHFFFAOYSA-N 0 0 398.459 4.097 50 5 GIBARN O=C(NC1=NCCS1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000009153972 209813647 /nfs/dbraw/zinc/81/36/47/209813647.db2.gz UQZLLAVIBQIEOH-UHFFFAOYSA-N 0 0 393.877 4.232 50 5 GIBARN O=C1N[C@@H](c2cccc([N+](=O)[O-])c2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000008741136 209796891 /nfs/dbraw/zinc/79/68/91/209796891.db2.gz QDVLEZKBWCTXOP-AWEZNQCLSA-N 0 0 384.442 4.031 50 5 GIBARN COc1ccc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1[N+](=O)[O-] ZINC000006897750 209704379 /nfs/dbraw/zinc/70/43/79/209704379.db2.gz ZFFAGUUHWMVAQI-UHFFFAOYSA-N 0 0 391.355 4.257 50 5 GIBARN O=[N+]([O-])c1cc(-c2ncnn2-c2cccc(Br)c2)ccc1Cl ZINC000005816374 209615577 /nfs/dbraw/zinc/61/55/77/209615577.db2.gz YUTFYACJXYHNEA-UHFFFAOYSA-N 0 0 379.601 4.258 50 5 GIBARN COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000005101364 209568624 /nfs/dbraw/zinc/56/86/24/209568624.db2.gz IMXUDQRAPNGJAU-XNWCZRBMSA-N 0 0 377.194 4.018 50 5 GIBARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005060139 209564403 /nfs/dbraw/zinc/56/44/03/209564403.db2.gz PIQUCHGELSOMSH-UHFFFAOYSA-N 0 0 378.340 4.368 50 5 GIBARN O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000004809740 209527832 /nfs/dbraw/zinc/52/78/32/209527832.db2.gz NHUQLJZCDNWTMV-UHFFFAOYSA-N 0 0 393.790 4.210 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc(I)cc2C)cc1[N+](=O)[O-] ZINC000004719154 209516924 /nfs/dbraw/zinc/51/69/24/209516924.db2.gz XERDZSAVQBWPBB-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ncc([N+](=O)[O-])s1 ZINC000004427275 209486477 /nfs/dbraw/zinc/48/64/77/209486477.db2.gz MOSTVNRKWSNBRO-UHFFFAOYSA-N 0 0 376.221 4.156 50 5 GIBARN CC[C@@H](C)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000003316047 209423193 /nfs/dbraw/zinc/42/31/93/209423193.db2.gz XXVMKMWLOLRXNC-CJTWTEFWSA-N 0 0 390.443 4.375 50 5 GIBARN CCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002912003 209397661 /nfs/dbraw/zinc/39/76/61/209397661.db2.gz VBVVFCPMVVRRAI-KRWDZBQOSA-N 0 0 395.444 4.452 50 5 GIBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(I)cc2)c1 ZINC000002852958 209391436 /nfs/dbraw/zinc/39/14/36/209391436.db2.gz GQYSTFYIOPKXGZ-UHFFFAOYSA-N 0 0 399.213 4.008 50 5 GIBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002573595 209370126 /nfs/dbraw/zinc/37/01/26/209370126.db2.gz LRCWBLBDCLMVJN-UHFFFAOYSA-N 0 0 389.673 4.428 50 5 GIBARN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000002638673 209374692 /nfs/dbraw/zinc/37/46/92/209374692.db2.gz JNWIYCNYLTWLBH-UHFFFAOYSA-N 0 0 380.731 4.068 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(CC)c2)c1=O ZINC000002418894 209362366 /nfs/dbraw/zinc/36/23/66/209362366.db2.gz FHJUOQGVGMHKBG-UHFFFAOYSA-N 0 0 383.455 4.256 50 5 GIBARN Cc1nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c(=O)n1CC(C)C ZINC000002246950 209352008 /nfs/dbraw/zinc/35/20/08/209352008.db2.gz CQMHBNRHRRPEBQ-UHFFFAOYSA-N 0 0 397.482 4.307 50 5 GIBARN CCOC(=O)c1sc2cc([N+](=O)[O-])cc(SCc3ccco3)c2c1N ZINC000002113291 209347905 /nfs/dbraw/zinc/34/79/05/209347905.db2.gz BQORHSPVVUVTQU-UHFFFAOYSA-N 0 0 378.431 4.454 50 5 GIBARN Cc1c(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000002102397 209347799 /nfs/dbraw/zinc/34/77/99/209347799.db2.gz LHTSCGQAYAOCSH-UHFFFAOYSA-N 0 0 399.281 4.005 50 5 GIBARN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000002124428 209346888 /nfs/dbraw/zinc/34/68/88/209346888.db2.gz UXCRAPMXCPIKLH-UHFFFAOYSA-N 0 0 390.421 4.130 50 5 GIBARN Cc1c(OC(=O)[C@H](C)NC(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000001800787 209340323 /nfs/dbraw/zinc/34/03/23/209340323.db2.gz ROQYJJWFGHAUSK-ZDUSSCGKSA-N 0 0 397.427 4.073 50 5 GIBARN CCCCCC(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000001787073 209340117 /nfs/dbraw/zinc/34/01/17/209340117.db2.gz UVVIAVQLJFBILM-ZDUSSCGKSA-N 0 0 383.659 4.366 50 5 GIBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000001218455 209315772 /nfs/dbraw/zinc/31/57/72/209315772.db2.gz XCQKLPRGRSJANQ-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN Cc1cc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Br ZINC000001215793 209314897 /nfs/dbraw/zinc/31/48/97/209314897.db2.gz XHKSRANQQJHMOM-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN CCOC(=O)C1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001195834 209313372 /nfs/dbraw/zinc/31/33/72/209313372.db2.gz FUXWHCQQFKUUIF-GOSISDBHSA-N 0 0 390.395 4.006 50 5 GIBARN COc1ccc(C(=O)n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2C)cc1 ZINC000001185595 209311749 /nfs/dbraw/zinc/31/17/49/209311749.db2.gz ZKMCWISVBZNXIR-UHFFFAOYSA-N 0 0 383.429 4.256 50 5 GIBARN CCOc1ccc(C(=O)NC(=S)Nc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-] ZINC000001174091 209309682 /nfs/dbraw/zinc/30/96/82/209309682.db2.gz MPVKZMVSLFJNKC-UHFFFAOYSA-N 0 0 393.852 4.082 50 5 GIBARN Cc1ccc2nc(C)cc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC000001170933 209310264 /nfs/dbraw/zinc/31/02/64/209310264.db2.gz VMBSYDNCXMJHDL-UHFFFAOYSA-N 0 0 378.384 4.108 50 5 GIBARN CC[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000001161365 209308198 /nfs/dbraw/zinc/30/81/98/209308198.db2.gz CIPDMYPQZKWAJR-HNNXBMFYSA-N 0 0 392.205 4.176 50 5 GIBARN O=[N+]([O-])c1c2nsnc2c(Cl)cc1Sc1ncnc2ccccc21 ZINC000001153618 209307838 /nfs/dbraw/zinc/30/78/38/209307838.db2.gz VWJPUJZLTOVMJH-UHFFFAOYSA-N 0 0 375.822 4.347 50 5 GIBARN CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000001148678 209307113 /nfs/dbraw/zinc/30/71/13/209307113.db2.gz QJNRWXHQZWADIY-ZBFHGGJFSA-N 0 0 381.432 4.100 50 5 GIBARN O=[N+]([O-])c1ccc(-c2ccc(-c3nn4c(nnc4-c4ccco4)s3)o2)cc1 ZINC000001113596 209302266 /nfs/dbraw/zinc/30/22/66/209302266.db2.gz ZDMATLHEEYCKBD-UHFFFAOYSA-N 0 0 379.357 4.281 50 5 GIBARN Cc1cc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000001073122 209296821 /nfs/dbraw/zinc/29/68/21/209296821.db2.gz BXRVJFFNZOEXKH-UHFFFAOYSA-N 0 0 394.258 4.172 50 5 GIBARN COC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000000995069 209287719 /nfs/dbraw/zinc/28/77/19/209287719.db2.gz PVMZVBRFRCTNLS-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN NC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2 ZINC000000996953 209287589 /nfs/dbraw/zinc/28/75/89/209287589.db2.gz JYCRCUBPIBNIED-ZHACJKMWSA-N 0 0 399.472 4.066 50 5 GIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 ZINC000000971803 209285083 /nfs/dbraw/zinc/28/50/83/209285083.db2.gz ZFUWCPFIYQGTMT-UHFFFAOYSA-N 0 0 391.379 4.214 50 5 GIBARN COc1ccc(NC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000959526 209285154 /nfs/dbraw/zinc/28/51/54/209285154.db2.gz DPCVGNSNBMRYML-UHFFFAOYSA-N 0 0 392.367 4.075 50 5 GIBARN COc1ccc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)cc1 ZINC000000850637 209271449 /nfs/dbraw/zinc/27/14/49/209271449.db2.gz ZOSPGPPHXQCQAF-UHFFFAOYSA-N 0 0 390.351 4.196 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(Cl)c1 ZINC000000674383 209257359 /nfs/dbraw/zinc/25/73/59/209257359.db2.gz GKWNTURWIDSVGG-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)Nc1nc2ccccc2s1 ZINC000045068320 212043577 /nfs/dbraw/zinc/04/35/77/212043577.db2.gz RMSBUTWWRYWUNU-UHFFFAOYSA-N 0 0 386.414 4.077 50 5 GIBARN COc1ccc(CNC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004542797 209138239 /nfs/dbraw/zinc/13/82/39/209138239.db2.gz VZSUWDUHEMYPKN-ZRDIBKRKSA-N 0 0 378.384 4.193 50 5 GIBARN O=C(COc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000014674850 211707159 /nfs/dbraw/zinc/70/71/59/211707159.db2.gz BTBHMIHWRCXBPB-UHFFFAOYSA-N 0 0 384.388 4.044 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000007574186 211585983 /nfs/dbraw/zinc/58/59/83/211585983.db2.gz FSKCWFDTBGDBFX-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)c1cc(Cl)sc1Cl ZINC000004134689 211532513 /nfs/dbraw/zinc/53/25/13/211532513.db2.gz SXHFZSYEKQLMNU-UHFFFAOYSA-N 0 0 395.245 4.454 50 5 GIBARN CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CSC2 ZINC000004088669 211531558 /nfs/dbraw/zinc/53/15/58/211531558.db2.gz UENKSYANHFVPSH-UHFFFAOYSA-N 0 0 380.857 4.199 50 5 GIBARN O=C(N1CCN=C1SCc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004120091 211530710 /nfs/dbraw/zinc/53/07/10/211530710.db2.gz GCVBDXDYTNSOMM-UHFFFAOYSA-N 0 0 399.516 4.243 50 5 GIBARN CCOC(=O)c1c(C)oc2ccc(OC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc21 ZINC000003177411 211520243 /nfs/dbraw/zinc/52/02/43/211520243.db2.gz QZMCLLFNHBAGLI-IZZDOVSWSA-N 0 0 395.367 4.445 50 5 GIBARN Cc1c(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cccc1[N+](=O)[O-] ZINC000003008135 211518976 /nfs/dbraw/zinc/51/89/76/211518976.db2.gz NLCSNUPUUSDLHT-UHFFFAOYSA-N 0 0 398.419 4.227 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CSC3)c(C)c1 ZINC000002483546 211514682 /nfs/dbraw/zinc/51/46/82/211514682.db2.gz GQGQDJVREXKBRW-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C\c1c(C)nn(-c2ccccc2)c1C ZINC000097999038 211375946 /nfs/dbraw/zinc/37/59/46/211375946.db2.gz AGKFDBIZBBXBLY-KHPPLWFESA-N 0 0 392.415 4.139 50 5 GIBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)CC(C)(C)C ZINC000096288370 211331566 /nfs/dbraw/zinc/33/15/66/211331566.db2.gz XUYYZSLAAMTXGK-AWEZNQCLSA-N 0 0 388.468 4.251 50 5 GIBARN CC[C@@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277252 211329694 /nfs/dbraw/zinc/32/96/94/211329694.db2.gz PBLHRQJQAMRNJG-KDOFPFPSSA-N 0 0 394.431 4.470 50 5 GIBARN O=[N+]([O-])c1cccc(-c2nn3c(nnc3C34CC5CC(CC(C5)C3)C4)s2)c1 ZINC000095481698 211249776 /nfs/dbraw/zinc/24/97/76/211249776.db2.gz LICVBMYATJBBPI-UHFFFAOYSA-N 0 0 381.461 4.229 50 5 GIBARN O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c2ncccc12 ZINC000095377630 211229802 /nfs/dbraw/zinc/22/98/02/211229802.db2.gz HIQJTWJTBAWIFC-CYBMUJFWSA-N 0 0 384.386 4.360 50 5 GIBARN Cn1c2ccccc2nc1[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000089749638 211184412 /nfs/dbraw/zinc/18/44/12/211184412.db2.gz GKAITJNJCDUJNF-SFHVURJKSA-N 0 0 392.440 4.062 50 5 GIBARN Cn1c2ccccc2nc1[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000089749636 211183778 /nfs/dbraw/zinc/18/37/78/211183778.db2.gz GKAITJNJCDUJNF-GOSISDBHSA-N 0 0 392.440 4.062 50 5 GIBARN O=C(C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1)N1CCC1 ZINC000084600474 211170320 /nfs/dbraw/zinc/17/03/20/211170320.db2.gz CYICYZPPEPHVQB-QINSGFPZSA-N 0 0 379.441 4.368 50 5 GIBARN C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1cc2ccccc2o1 ZINC000032777399 210585446 /nfs/dbraw/zinc/58/54/46/210585446.db2.gz WCRVZVWMVSVINO-LLVKDONJSA-N 0 0 397.412 4.452 50 5 GIBARN CCc1ccc(CN(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000028286872 210524441 /nfs/dbraw/zinc/52/44/41/210524441.db2.gz BBDWNTKPYMWASF-UHFFFAOYSA-N 0 0 391.427 4.164 50 5 GIBARN CCOc1ccc(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])cc1OCC ZINC000025126538 210478722 /nfs/dbraw/zinc/47/87/22/210478722.db2.gz YAHDAUVCVIGVRT-UHFFFAOYSA-N 0 0 394.811 4.063 50 5 GIBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1[N+](=O)[O-] ZINC000021112403 210378891 /nfs/dbraw/zinc/37/88/91/210378891.db2.gz OSXYJFAYLUMIAV-KPKJPENVSA-N 0 0 399.428 4.171 50 5 GIBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@H]1c1c(Cl)cccc1Cl ZINC000021091476 210376684 /nfs/dbraw/zinc/37/66/84/210376684.db2.gz CBVQCHCUFDIGRS-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000021091517 210376225 /nfs/dbraw/zinc/37/62/25/210376225.db2.gz JEFZNEMVGRTRDD-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN COc1ccccc1CCN1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000019882564 210304152 /nfs/dbraw/zinc/30/41/52/210304152.db2.gz PPWWKYOIIDRWFN-UHFFFAOYSA-N 0 0 387.435 4.349 50 5 GIBARN COc1ccc(OC)c(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2C)c1 ZINC000001184194 220482630 /nfs/dbraw/zinc/48/26/30/220482630.db2.gz IFDNGMGPYSWHTK-UHFFFAOYSA-N 0 0 399.428 4.296 50 5 GIBARN CC(=O)c1ccc(N2CCC(N3c4ccccc4C[C@H]3C)CC2)c([N+](=O)[O-])c1 ZINC000040135253 136153757 /nfs/dbraw/zinc/15/37/57/136153757.db2.gz KYDANKKVBMSBCI-OAHLLOKOSA-N 0 0 379.460 4.217 50 5 GIBARN O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000078903660 136172757 /nfs/dbraw/zinc/17/27/57/136172757.db2.gz XKCDYHANGHINAK-ZDUSSCGKSA-N 0 0 391.374 4.051 50 5 GIBARN CCOC(=O)c1ccnc(N2CC[C@H](C)C[C@@H]2c2ccc(CC)o2)c1[N+](=O)[O-] ZINC000089286673 136175484 /nfs/dbraw/zinc/17/54/84/136175484.db2.gz JKPMMQUZBUDIOZ-XJKSGUPXSA-N 0 0 387.436 4.300 50 5 GIBARN O=C(C1CCCCC1)N1CCC(Nc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000048299848 570233692 /nfs/dbraw/zinc/23/36/92/570233692.db2.gz GDJOJKINWONYGP-UHFFFAOYSA-N 0 0 382.464 4.126 50 5 GIBARN COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000011612198 570234396 /nfs/dbraw/zinc/23/43/96/570234396.db2.gz GWLNMGOAGQEQOY-UHFFFAOYSA-N 0 0 382.397 4.362 50 5 GIBARN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Oc1ccc(Oc2ccccc2)cc1 ZINC000048325248 570236119 /nfs/dbraw/zinc/23/61/19/570236119.db2.gz HVEXOWJJFFWSMU-UHFFFAOYSA-N 0 0 389.360 4.294 50 5 GIBARN CC(=O)Nc1ccc2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2c1 ZINC000048523431 570252859 /nfs/dbraw/zinc/25/28/59/570252859.db2.gz OAUQWCPIOLNZMR-UHFFFAOYSA-N 0 0 390.402 4.222 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010810838 570301139 /nfs/dbraw/zinc/30/11/39/570301139.db2.gz UUJIKSPYMBWYQJ-UHFFFAOYSA-N 0 0 386.791 4.203 50 5 GIBARN O=c1oc2ccc(Br)cc2cc1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004831770 570305454 /nfs/dbraw/zinc/30/54/54/570305454.db2.gz CZXWWNOMUNQTPF-UHFFFAOYSA-N 0 0 391.133 4.039 50 5 GIBARN Cc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)ccc1[N+](=O)[O-] ZINC000024832308 570310352 /nfs/dbraw/zinc/31/03/52/570310352.db2.gz IQGSDPAUGITGHA-UHFFFAOYSA-N 0 0 381.413 4.214 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(Br)c1 ZINC000225848443 570342638 /nfs/dbraw/zinc/34/26/38/570342638.db2.gz NHJXRUVWBAZPKK-KRWDZBQOSA-N 0 0 388.221 4.055 50 5 GIBARN O=C(COc1cccc(CNc2cccc([N+](=O)[O-])c2)c1)Nc1ccccc1 ZINC000004851272 570346772 /nfs/dbraw/zinc/34/67/72/570346772.db2.gz DHTZUXVCNGFLQE-UHFFFAOYSA-N 0 0 377.400 4.224 50 5 GIBARN O=C(c1ccccc1)c1ccc(NC[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000006346120 570395013 /nfs/dbraw/zinc/39/50/13/570395013.db2.gz LUSUZSMDTFGHOG-KRWDZBQOSA-N 0 0 390.395 4.078 50 5 GIBARN CCc1ccc(CCC(=O)Nc2ncc(Cc3cccc([N+](=O)[O-])c3)s2)o1 ZINC000005016832 570397025 /nfs/dbraw/zinc/39/70/25/570397025.db2.gz LIBNXUFQQYNBRV-UHFFFAOYSA-N 0 0 385.445 4.369 50 5 GIBARN CCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005031613 570402326 /nfs/dbraw/zinc/40/23/26/570402326.db2.gz OUXYWVQQIXBWNP-UHFFFAOYSA-N 0 0 394.435 4.470 50 5 GIBARN CCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3ccccc3nc21 ZINC000005047141 570405817 /nfs/dbraw/zinc/40/58/17/570405817.db2.gz QTOJRZVHETXWAM-UHFFFAOYSA-N 0 0 375.388 4.155 50 5 GIBARN CC1(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CCOCC1 ZINC000130151226 570422076 /nfs/dbraw/zinc/42/20/76/570422076.db2.gz VMKYECDMAINDAM-UHFFFAOYSA-N 0 0 390.823 4.339 50 5 GIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 ZINC000006471887 570443226 /nfs/dbraw/zinc/44/32/26/570443226.db2.gz HNLRGXHYDYKEGK-KPKJPENVSA-N 0 0 390.399 4.176 50 5 GIBARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000006554167 570475681 /nfs/dbraw/zinc/47/56/81/570475681.db2.gz BKCXNRAQBXZAPS-FQEVSTJZSA-N 0 0 386.411 4.185 50 5 GIBARN CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002053745 570500693 /nfs/dbraw/zinc/50/06/93/570500693.db2.gz ZFGRJOXROYABKT-UHFFFAOYSA-N 0 0 393.852 4.164 50 5 GIBARN Cc1ccc2cc(COC(=O)COc3ccccc3[N+](=O)[O-])c(Cl)nc2c1 ZINC000011083363 570510014 /nfs/dbraw/zinc/51/00/14/570510014.db2.gz ZYIKPYPGLIDWAQ-UHFFFAOYSA-N 0 0 386.791 4.227 50 5 GIBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347796 570630221 /nfs/dbraw/zinc/63/02/21/570630221.db2.gz SCJUYTUFYIAEBC-NRFANRHFSA-N 0 0 392.415 4.300 50 5 GIBARN O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000024990263 570662260 /nfs/dbraw/zinc/66/22/60/570662260.db2.gz WWNFXAYQSAKNQI-UHFFFAOYSA-N 0 0 391.431 4.222 50 5 GIBARN Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000851576 570662716 /nfs/dbraw/zinc/66/27/16/570662716.db2.gz OJKMVOMPAKGIDF-UHFFFAOYSA-N 0 0 384.413 4.496 50 5 GIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)n(-c2nc(-c3ccccc3)cs2)n1 ZINC000012441801 570677160 /nfs/dbraw/zinc/67/71/60/570677160.db2.gz RUVSZQMIOYRQEB-UHFFFAOYSA-N 0 0 395.400 4.058 50 5 GIBARN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675630 570678836 /nfs/dbraw/zinc/67/88/36/570678836.db2.gz BADPJQNKMNCWEI-UHFFFAOYSA-N 0 0 385.439 4.142 50 5 GIBARN COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000001053033 570748467 /nfs/dbraw/zinc/74/84/67/570748467.db2.gz STCNQJLDNGWZOK-UHFFFAOYSA-N 0 0 376.412 4.446 50 5 GIBARN Cc1ccc(NC(=O)CSc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000001126986 570753861 /nfs/dbraw/zinc/75/38/61/570753861.db2.gz ZVQNDWKQAINNEX-UHFFFAOYSA-N 0 0 381.251 4.397 50 5 GIBARN O=[N+]([O-])c1ccc(OC[C@@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000001115472 570753921 /nfs/dbraw/zinc/75/39/21/570753921.db2.gz BYBPUZPUFIIZSC-NRFANRHFSA-N 0 0 378.428 4.041 50 5 GIBARN COc1ccc2ccccc2c1/C=C1/N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000004644380 570776127 /nfs/dbraw/zinc/77/61/27/570776127.db2.gz GLLIUUDBOIKCMA-LDADJPATSA-N 0 0 388.379 4.410 50 5 GIBARN COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c([N+](=O)[O-])c1 ZINC000005675642 570795314 /nfs/dbraw/zinc/79/53/14/570795314.db2.gz IVZOEJKHNZZLTR-UHFFFAOYSA-N 0 0 386.335 4.167 50 5 GIBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 ZINC000005671823 570796660 /nfs/dbraw/zinc/79/66/60/570796660.db2.gz UADIUDQFSOUXHZ-UHFFFAOYSA-N 0 0 384.775 4.197 50 5 GIBARN CC(C)(C)CC(C)(C)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000005897423 570801797 /nfs/dbraw/zinc/80/17/97/570801797.db2.gz ZHTLLAXKWWNTKE-UHFFFAOYSA-N 0 0 397.541 4.396 50 5 GIBARN N=c1sc(Cc2cccc([N+](=O)[O-])c2)cn1CC(=O)c1ccc(Cl)cc1 ZINC000004486214 570803893 /nfs/dbraw/zinc/80/38/93/570803893.db2.gz ZIXKOBMEXHHGHF-UHFFFAOYSA-N 0 0 387.848 4.064 50 5 GIBARN O=C(Nc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000012517234 570826114 /nfs/dbraw/zinc/82/61/14/570826114.db2.gz KXDZWHSUUUKDRN-UHFFFAOYSA-N 0 0 393.365 4.469 50 5 GIBARN COc1ccc(CSCC(=O)N[C@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000032816109 570828714 /nfs/dbraw/zinc/82/87/14/570828714.db2.gz VYKPCYBBVJZWON-GFCCVEGCSA-N 0 0 394.880 4.367 50 5 GIBARN Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000007389640 570836629 /nfs/dbraw/zinc/83/66/29/570836629.db2.gz XWEXARDKJMFQPR-UHFFFAOYSA-N 0 0 388.383 4.036 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 ZINC000065585793 570837283 /nfs/dbraw/zinc/83/72/83/570837283.db2.gz ZRWONHGGHLKFSX-HZMBPMFUSA-N 0 0 393.852 4.022 50 5 GIBARN COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004702865 570842846 /nfs/dbraw/zinc/84/28/46/570842846.db2.gz OTDNAUOMSWNMEF-SECBINFHSA-N 0 0 385.203 4.316 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl ZINC000004706770 570842907 /nfs/dbraw/zinc/84/29/07/570842907.db2.gz CGCUVGJXYBZCDR-UHFFFAOYSA-N 0 0 384.244 4.337 50 5 GIBARN C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F ZINC000032855844 570855392 /nfs/dbraw/zinc/85/53/92/570855392.db2.gz BHOCMFNVPMKCMB-JTQLQIEISA-N 0 0 391.334 4.463 50 5 GIBARN O=[N+]([O-])c1ccc(-c2nnc(SC[C@@H](O)c3ccc(F)cc3)s2)cc1 ZINC000005715820 570864288 /nfs/dbraw/zinc/86/42/88/570864288.db2.gz FBZDMQZHMSSGDZ-CQSZACIVSA-N 0 0 377.422 4.078 50 5 GIBARN CC(=O)N1c2ccc([N+](=O)[O-])cc2[C@](C)(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000004729011 570883559 /nfs/dbraw/zinc/88/35/59/570883559.db2.gz KLBIXOJBCZEUBC-FQEVSTJZSA-N 0 0 383.404 4.344 50 5 GIBARN O=C(Nc1ccnn1C1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000012606637 570888542 /nfs/dbraw/zinc/88/85/42/570888542.db2.gz QXNUDTJMOZDJEW-UHFFFAOYSA-N 0 0 383.452 4.149 50 5 GIBARN CSc1nc2n(n1)[C@@H](c1ccccc1[N+](=O)[O-])C1C(=O)CC(C)(C)CC1=N2 ZINC000104159996 570896179 /nfs/dbraw/zinc/89/61/79/570896179.db2.gz VQCARNMMXJKKME-HNNXBMFYSA-N 0 0 385.449 4.216 50 5 GIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000004577046 570903850 /nfs/dbraw/zinc/90/38/50/570903850.db2.gz OEIWBJPBLMAOOU-UHFFFAOYSA-N 0 0 390.321 4.111 50 5 GIBARN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000023107733 570904024 /nfs/dbraw/zinc/90/40/24/570904024.db2.gz PSBJRTKDMXCEAJ-UHFFFAOYSA-N 0 0 398.728 4.255 50 5 GIBARN CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CCOc1cccc([N+](=O)[O-])c1 ZINC000032916105 570927427 /nfs/dbraw/zinc/92/74/27/570927427.db2.gz RZFJLMLDLCINLL-UHFFFAOYSA-N 0 0 382.338 4.041 50 5 GIBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(F)c(F)c2)c(-c2cccs2)c1 ZINC000015359203 570928223 /nfs/dbraw/zinc/92/82/23/570928223.db2.gz LMASIALIDZVIRA-UHFFFAOYSA-N 0 0 397.380 4.369 50 5 GIBARN O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)OCc1ccc(Cl)c(Cl)c1 ZINC000032933296 570946980 /nfs/dbraw/zinc/94/69/80/570946980.db2.gz SSJSHJDZCNWACD-UHFFFAOYSA-N 0 0 394.214 4.385 50 5 GIBARN COc1ccc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1Cc1ccccc1 ZINC000012041257 570957283 /nfs/dbraw/zinc/95/72/83/570957283.db2.gz ILFZGADPCYUXAE-UHFFFAOYSA-N 0 0 377.400 4.029 50 5 GIBARN O=C(Nc1ccc(Cl)c2ncsc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000007598976 570964824 /nfs/dbraw/zinc/96/48/24/570964824.db2.gz LVMQNFRNWMAYLW-UHFFFAOYSA-N 0 0 378.753 4.018 50 5 GIBARN CCC(=O)c1ccc(Br)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004778401 570975793 /nfs/dbraw/zinc/97/57/93/570975793.db2.gz UBFLXHGVBDCQEI-UHFFFAOYSA-N 0 0 377.194 4.202 50 5 GIBARN COc1ccccc1CN(C)C(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000012733655 570977683 /nfs/dbraw/zinc/97/76/83/570977683.db2.gz NTTPZEGUSPDOCB-INIZCTEOSA-N 0 0 397.475 4.112 50 5 GIBARN Cc1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1O ZINC000170684167 571010610 /nfs/dbraw/zinc/01/06/10/571010610.db2.gz LRFPVJFDVJDKLG-UHFFFAOYSA-N 0 0 383.326 4.068 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCO[C@@H](c2ccccc2)C1 ZINC000084525610 571021732 /nfs/dbraw/zinc/02/17/32/571021732.db2.gz DEXMFGHBZDOWEV-OAHLLOKOSA-N 0 0 397.309 4.100 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1F)N(Cc1ccccn1)c1ccc(F)cc1F ZINC000084610001 571026950 /nfs/dbraw/zinc/02/69/50/571026950.db2.gz MWBDRHJRPLRFKV-UHFFFAOYSA-N 0 0 387.317 4.254 50 5 GIBARN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000004815181 571048124 /nfs/dbraw/zinc/04/81/24/571048124.db2.gz SRPCYXIHMACGPB-LLVKDONJSA-N 0 0 375.812 4.029 50 5 GIBARN COCCCNC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000003020107 817411685 /nfs/dbraw/zinc/41/16/85/817411685.db2.gz WCJIDACXLDBLAS-UHFFFAOYSA-N 0 0 380.853 4.166 50 5 GIBARN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000003067854 817416778 /nfs/dbraw/zinc/41/67/78/817416778.db2.gz ZLTLWQREWGVWAM-HNNXBMFYSA-N 0 0 382.441 4.301 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1 ZINC000003150564 817418867 /nfs/dbraw/zinc/41/88/67/817418867.db2.gz QNKHCKYCJGHEJM-UHFFFAOYSA-N 0 0 385.335 4.204 50 5 GIBARN O=C(Nc1ccccc1)[C@@H](C(=O)c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000003201270 817421806 /nfs/dbraw/zinc/42/18/06/817421806.db2.gz VXVZXDKQCWZUDQ-LEWJYISDSA-N 0 0 388.423 4.185 50 5 GIBARN COc1cc(/C=C/C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)ccc1OC(F)F ZINC000003277409 817431349 /nfs/dbraw/zinc/43/13/49/817431349.db2.gz GOTJJIWAHJYVKI-FNORWQNLSA-N 0 0 392.358 4.474 50 5 GIBARN COC(=O)c1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc([N+](=O)[O-])c1 ZINC000003366036 817442576 /nfs/dbraw/zinc/44/25/76/817442576.db2.gz KECYKFIYCCZRQQ-UHFFFAOYSA-N 0 0 392.367 4.426 50 5 GIBARN CCOc1ccc(C(C)=O)cc1COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003510819 817474079 /nfs/dbraw/zinc/47/40/79/817474079.db2.gz TYHOTUYOGMDADT-UHFFFAOYSA-N 0 0 377.780 4.207 50 5 GIBARN O=[N+]([O-])c1ccc2[nH]c(CSc3nnc4sc5ccccc5n34)nc2c1 ZINC000003633378 817493695 /nfs/dbraw/zinc/49/36/95/817493695.db2.gz KJDIQVIOJNWPSC-UHFFFAOYSA-N 0 0 382.430 4.021 50 5 GIBARN CCN(CC)C(=O)c1c([N+](=O)[O-])cc(SCc2ccccc2)cc1[N+](=O)[O-] ZINC000003671595 817494020 /nfs/dbraw/zinc/49/40/20/817494020.db2.gz YXQMTNPDJPGVES-UHFFFAOYSA-N 0 0 389.433 4.277 50 5 GIBARN CNc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004014450 817496418 /nfs/dbraw/zinc/49/64/18/817496418.db2.gz KWYHFBBWXJSXLW-UHFFFAOYSA-N 0 0 385.163 4.104 50 5 GIBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2N2CCCCC2)cc1 ZINC000004014495 817497219 /nfs/dbraw/zinc/49/72/19/817497219.db2.gz VDWNZTNDWDYGAR-UHFFFAOYSA-N 0 0 384.392 4.054 50 5 GIBARN COc1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004037735 817498836 /nfs/dbraw/zinc/49/88/36/817498836.db2.gz YKLMXXUCHVPHSN-UHFFFAOYSA-N 0 0 378.384 4.288 50 5 GIBARN CCC(CC)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000004246537 817512111 /nfs/dbraw/zinc/51/21/11/817512111.db2.gz ZSMUVABAQZQAAH-UHFFFAOYSA-N 0 0 378.501 4.433 50 5 GIBARN C[C@@H]1C[C@@H](C)CN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])C1 ZINC000004264095 817514448 /nfs/dbraw/zinc/51/44/48/817514448.db2.gz LYIIIUYETRXFHT-HZPDHXFCSA-N 0 0 377.444 4.381 50 5 GIBARN CCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000006591587 817706963 /nfs/dbraw/zinc/70/69/63/817706963.db2.gz ZAAPIDOAJKMHRI-QFIPXVFZSA-N 0 0 392.411 4.289 50 5 GIBARN O=C1c2ccccc2N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N1C1CC1 ZINC000007889734 817952891 /nfs/dbraw/zinc/95/28/91/817952891.db2.gz BDMRFNJEPGUXBI-MRXNPFEDSA-N 0 0 388.221 4.086 50 5 GIBARN Cc1c(NC(=O)CN[C@@H](c2cccs2)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000012795378 818181974 /nfs/dbraw/zinc/18/19/74/818181974.db2.gz QHWQZOFYIQSBBI-HXUWFJFHSA-N 0 0 399.447 4.422 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])N(Cc1ccco1)c1ccc(Cl)cc1 ZINC000027795325 820286819 /nfs/dbraw/zinc/28/68/19/820286819.db2.gz HTEWFEIVDQAURM-UHFFFAOYSA-N 0 0 386.791 4.453 50 5 GIBARN Cc1cc([C@H]2CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])no1 ZINC000029527205 820469068 /nfs/dbraw/zinc/46/90/68/820469068.db2.gz WINAFGLMEAQDGX-GOSISDBHSA-N 0 0 377.400 4.464 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(COc2ccccc2)cc1 ZINC000032304955 820910902 /nfs/dbraw/zinc/91/09/02/820910902.db2.gz RDCATLWOVVYIJZ-UHFFFAOYSA-N 0 0 376.412 4.033 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000042730525 821327774 /nfs/dbraw/zinc/32/77/74/821327774.db2.gz WUWWBONVDJXTHY-UHFFFAOYSA-N 0 0 399.834 4.338 50 5 GIBARN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016488798 210190202 /nfs/dbraw/zinc/19/02/02/210190202.db2.gz INDIHWINDJCCGR-GASCZTMLSA-N 0 0 381.432 4.250 50 5 GIBARN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000016206794 210187546 /nfs/dbraw/zinc/18/75/46/210187546.db2.gz HSCOMTVWJUAUMW-UHFFFAOYSA-N 0 0 396.472 4.266 50 5 GIBARN Cc1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 ZINC000015359172 210155814 /nfs/dbraw/zinc/15/58/14/210155814.db2.gz GLNMSSZDACBWFU-UHFFFAOYSA-N 0 0 375.427 4.399 50 5 GIBARN O=C(C1CCCC1)N(Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCCC1 ZINC000014576596 210121493 /nfs/dbraw/zinc/12/14/93/210121493.db2.gz WJFYGDHKHSKNQO-UHFFFAOYSA-N 0 0 384.436 4.106 50 5 GIBARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000013957838 210098056 /nfs/dbraw/zinc/09/80/56/210098056.db2.gz HSMYIMCJOIGNGY-OAHLLOKOSA-N 0 0 394.431 4.186 50 5 GIBARN O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013957953 210097839 /nfs/dbraw/zinc/09/78/39/210097839.db2.gz ZAOOBKLTMREFGO-UHFFFAOYSA-N 0 0 378.215 4.355 50 5 GIBARN Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013331421 210057408 /nfs/dbraw/zinc/05/74/08/210057408.db2.gz XYNJSRZNNVWNCK-UHFFFAOYSA-N 0 0 379.420 4.409 50 5 GIBARN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013015272 210047141 /nfs/dbraw/zinc/04/71/41/210047141.db2.gz BGOLOFLZXMIJCV-OAHLLOKOSA-N 0 0 376.416 4.440 50 5 GIBARN Cc1cc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)ccc1[N+](=O)[O-] ZINC000012905071 210026038 /nfs/dbraw/zinc/02/60/38/210026038.db2.gz AWPHIHUAHPSUDG-UHFFFAOYSA-N 0 0 394.456 4.262 50 5 GIBARN CCOC(=O)c1oc2ccccc2c1COC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000012906776 210025711 /nfs/dbraw/zinc/02/57/11/210025711.db2.gz NBBVNRQBMLQKMW-VAWYXSNFSA-N 0 0 395.367 4.274 50 5 GIBARN Cc1ccc(OCc2nc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000012775164 210006756 /nfs/dbraw/zinc/00/67/56/210006756.db2.gz XTXXILVLBVNLOI-UHFFFAOYSA-N 0 0 383.429 4.499 50 5 GIBARN Cc1c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cccc1[N+](=O)[O-] ZINC000012786391 210008553 /nfs/dbraw/zinc/00/85/53/210008553.db2.gz LAOSCGFBQYAPIK-UHFFFAOYSA-N 0 0 394.406 4.359 50 5 GIBARN Cc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c1[N+](=O)[O-] ZINC000012761171 210003252 /nfs/dbraw/zinc/00/32/52/210003252.db2.gz QKPLTRTVHKDXBY-UHFFFAOYSA-N 0 0 390.321 4.360 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCCOc2ccccc2)c1 ZINC000008563445 209785923 /nfs/dbraw/zinc/78/59/23/209785923.db2.gz KXAYDDOEHJDRTQ-UHFFFAOYSA-N 0 0 378.384 4.305 50 5 GIBARN COc1ccc(CCNC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)oc2C)cc1 ZINC000007813368 209747073 /nfs/dbraw/zinc/74/70/73/209747073.db2.gz SNTWWJDPBPIZOR-UHFFFAOYSA-N 0 0 380.400 4.144 50 5 GIBARN CCN(CC)c1cccc(OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000005568389 209603698 /nfs/dbraw/zinc/60/36/98/209603698.db2.gz USXXUAVMBCLZMW-UHFFFAOYSA-N 0 0 383.448 4.260 50 5 GIBARN Cc1ccc(-c2noc(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)C)n2)cc1 ZINC000004958719 209551865 /nfs/dbraw/zinc/55/18/65/209551865.db2.gz RXLQWERCLAGMHZ-UHFFFAOYSA-N 0 0 380.404 4.004 50 5 GIBARN O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004820793 209529672 /nfs/dbraw/zinc/52/96/72/209529672.db2.gz UQPXNUJZQZJWOT-UHFFFAOYSA-N 0 0 386.795 4.260 50 5 GIBARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000004663306 209507523 /nfs/dbraw/zinc/50/75/23/209507523.db2.gz FUVNLUXYMXHPBV-UHFFFAOYSA-N 0 0 387.461 4.209 50 5 GIBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1C[C@@H]1CCCO1 ZINC000003345996 209425928 /nfs/dbraw/zinc/42/59/28/209425928.db2.gz OQCPBSBGMWNCIE-HNNXBMFYSA-N 0 0 392.839 4.107 50 5 GIBARN CCCCn1c(=O)c2sccc2nc1SCc1cccc([N+](=O)[O-])c1 ZINC000002909260 209397165 /nfs/dbraw/zinc/39/71/65/209397165.db2.gz DBZBOVOHDZZQOD-UHFFFAOYSA-N 0 0 375.475 4.459 50 5 GIBARN O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)N1CCCCCC1 ZINC000002890898 209395909 /nfs/dbraw/zinc/39/59/09/209395909.db2.gz GQBVKTQACSFXRU-UHFFFAOYSA-N 0 0 377.491 4.213 50 5 GIBARN COc1ccc2c(c1)CCc1sc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)nc1-2 ZINC000002879133 209392939 /nfs/dbraw/zinc/39/29/39/209392939.db2.gz YUFYAEVDDHIMEP-UHFFFAOYSA-N 0 0 395.440 4.007 50 5 GIBARN Cc1nn(Cc2ccccc2C(=O)Nc2ccc(C)c(F)c2)c(C)c1[N+](=O)[O-] ZINC000002796461 209386223 /nfs/dbraw/zinc/38/62/23/209386223.db2.gz MNEZXQXJUBKAAB-UHFFFAOYSA-N 0 0 382.395 4.156 50 5 GIBARN CCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(C)ccc3nc21 ZINC000002453275 209365092 /nfs/dbraw/zinc/36/50/92/209365092.db2.gz YUMWYOLLGYBTON-UHFFFAOYSA-N 0 0 375.388 4.073 50 5 GIBARN O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000002767417 209383923 /nfs/dbraw/zinc/38/39/23/209383923.db2.gz PUJUZFBFSZCKSG-UHFFFAOYSA-N 0 0 391.214 4.399 50 5 GIBARN Cc1ccccc1-c1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccccc1 ZINC000002230954 209351543 /nfs/dbraw/zinc/35/15/43/209351543.db2.gz NUYXFGPPOAHCHT-UHFFFAOYSA-N 0 0 393.446 4.213 50 5 GIBARN O=c1c2ccccc2oc2nc(-c3ccccc3F)n(Cc3ccccc3)c(=O)c12 ZINC000002214895 209350048 /nfs/dbraw/zinc/35/00/48/209350048.db2.gz YIPLOGINMBEKMJ-UHFFFAOYSA-N 0 0 398.393 4.357 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1C ZINC000002101308 209347684 /nfs/dbraw/zinc/34/76/84/209347684.db2.gz ZURQUDDQWRDUNR-UHFFFAOYSA-N 0 0 378.812 4.363 50 5 GIBARN CCOC(=O)Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000001860795 209341200 /nfs/dbraw/zinc/34/12/00/209341200.db2.gz OFIDORUTRSFBQN-UHFFFAOYSA-N 0 0 384.233 4.063 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(Br)cc1 ZINC000001230457 209315862 /nfs/dbraw/zinc/31/58/62/209315862.db2.gz DZDZGEKTPDUBNX-UHFFFAOYSA-N 0 0 392.234 4.209 50 5 GIBARN COc1cc(CNc2ccc(Br)cc2C)c([N+](=O)[O-])cc1OC ZINC000001214907 209314290 /nfs/dbraw/zinc/31/42/90/209314290.db2.gz SMBDSFHJTAWCDO-UHFFFAOYSA-N 0 0 381.226 4.295 50 5 GIBARN Cc1nn(C(=O)COc2ccccc2)c(C)c1Sc1ccccc1[N+](=O)[O-] ZINC000001191483 209311938 /nfs/dbraw/zinc/31/19/38/209311938.db2.gz MCNQFFUAFNTNNL-UHFFFAOYSA-N 0 0 383.429 4.279 50 5 GIBARN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000001178923 209311143 /nfs/dbraw/zinc/31/11/43/209311143.db2.gz VAFNITVUYZZDGL-UHFFFAOYSA-N 0 0 388.207 4.168 50 5 GIBARN O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1 ZINC000001161195 209308804 /nfs/dbraw/zinc/30/88/04/209308804.db2.gz VPBQKWUAEWQTNS-QHCPKHFHSA-N 0 0 398.418 4.235 50 5 GIBARN CCc1ccc(-n2nc3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3n2)cc1 ZINC000001166788 209308256 /nfs/dbraw/zinc/30/82/56/209308256.db2.gz IQLMNGNHSYBGIO-UHFFFAOYSA-N 0 0 387.399 4.143 50 5 GIBARN O=C(Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 ZINC000001136726 209304542 /nfs/dbraw/zinc/30/45/42/209304542.db2.gz RSESSBKUUOGBBV-UHFFFAOYSA-N 0 0 376.368 4.204 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1cccc(C(=O)Oc2ccccc2)c1 ZINC000001124927 209303995 /nfs/dbraw/zinc/30/39/95/209303995.db2.gz LBCZNWVQORRDLV-UHFFFAOYSA-N 0 0 391.379 4.100 50 5 GIBARN O=C(CCC(=O)OCc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000001135900 209305462 /nfs/dbraw/zinc/30/54/62/209305462.db2.gz RGTKCENPFXWLIS-UHFFFAOYSA-N 0 0 397.214 4.364 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000001109917 209301638 /nfs/dbraw/zinc/30/16/38/209301638.db2.gz NADBRSAHUXICCF-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN O=C(COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1)c1ccc(F)cc1 ZINC000001109698 209300848 /nfs/dbraw/zinc/30/08/48/209300848.db2.gz VWRZFZPCYGMXCP-UHFFFAOYSA-N 0 0 394.358 4.248 50 5 GIBARN COc1ccc(Br)c(-c2nnc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000001044607 209292532 /nfs/dbraw/zinc/29/25/32/209292532.db2.gz GCIOCHKCTAPXHW-UHFFFAOYSA-N 0 0 376.166 4.083 50 5 GIBARN O=[N+]([O-])c1ccccc1SCC1N=NC(=S)N1c1ccccc1Cl ZINC000001025168 209290541 /nfs/dbraw/zinc/29/05/41/209290541.db2.gz KMQHJONIFBBHPO-UHFFFAOYSA-N 0 0 378.866 4.410 50 5 GIBARN O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000000971147 209284833 /nfs/dbraw/zinc/28/48/33/209284833.db2.gz FEURUIGBQJUPJK-AWEZNQCLSA-N 0 0 388.638 4.133 50 5 GIBARN O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000009468861 209274635 /nfs/dbraw/zinc/27/46/35/209274635.db2.gz XSBYKQRFRMXUPL-UHFFFAOYSA-N 0 0 379.338 4.118 50 5 GIBARN CCC(=O)Nc1nc(-c2ccc(Cl)cc2)nc2c3ccccc3oc(=O)c12 ZINC000000753962 209263310 /nfs/dbraw/zinc/26/33/10/209263310.db2.gz BTXUVNAGZMGJGB-UHFFFAOYSA-N 0 0 379.803 4.405 50 5 GIBARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000034840282 209250550 /nfs/dbraw/zinc/25/05/50/209250550.db2.gz LTFABNOGXCOYBW-UHFFFAOYSA-N 0 0 379.372 4.351 50 5 GIBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000096842712 209242111 /nfs/dbraw/zinc/24/21/11/209242111.db2.gz PENHKOAFWKUQRT-YPKPFQOOSA-N 0 0 390.443 4.069 50 5 GIBARN C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008782997 212076591 /nfs/dbraw/zinc/07/65/91/212076591.db2.gz CKSXMNYRZXOVPC-MRXNPFEDSA-N 0 0 395.459 4.294 50 5 GIBARN CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000058103603 211778278 /nfs/dbraw/zinc/77/82/78/211778278.db2.gz XZESQMKGGWCALV-UHFFFAOYSA-N 0 0 384.413 4.212 50 5 GIBARN Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])o3)nc21 ZINC000004273218 211540467 /nfs/dbraw/zinc/54/04/67/211540467.db2.gz VJSDYBSXAKVMCW-UHFFFAOYSA-N 0 0 394.412 4.348 50 5 GIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccccc1C(F)(F)F ZINC000004079014 211530718 /nfs/dbraw/zinc/53/07/18/211530718.db2.gz MEXLMRAEADNUQH-UHFFFAOYSA-N 0 0 394.334 4.384 50 5 GIBARN Cc1c(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cccc1[N+](=O)[O-] ZINC000001934507 211511056 /nfs/dbraw/zinc/51/10/56/211511056.db2.gz BQVFJTZEFBLBIJ-UHFFFAOYSA-N 0 0 383.187 4.006 50 5 GIBARN CC(C)CNC(=O)C[C@H](c1cn(C)c2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000101856521 211406850 /nfs/dbraw/zinc/40/68/50/211406850.db2.gz AQDRXWFBYLRZPU-IBGZPJMESA-N 0 0 379.460 4.381 50 5 GIBARN C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000101744375 211404439 /nfs/dbraw/zinc/40/44/39/211404439.db2.gz LATQFWPCIRVICJ-XOKHGSTOSA-N 0 0 385.464 4.265 50 5 GIBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c1 ZINC000101070103 211395556 /nfs/dbraw/zinc/39/55/56/211395556.db2.gz COTGSFMTOPCRFQ-MRXNPFEDSA-N 0 0 398.220 4.005 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N[C@H]1CCOc2ccccc21 ZINC000095349955 211220238 /nfs/dbraw/zinc/22/02/38/211220238.db2.gz QMDYOXYDHWODKZ-NSHDSACASA-N 0 0 383.282 4.458 50 5 GIBARN CNC(=O)c1ccc(N2CCC[C@H]2c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000083882268 211165516 /nfs/dbraw/zinc/16/55/16/211165516.db2.gz HKVRFONKUAFHSG-IBGZPJMESA-N 0 0 375.428 4.449 50 5 GIBARN CCn1ncc([C@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C ZINC000071785126 211062413 /nfs/dbraw/zinc/06/24/13/211062413.db2.gz UELPIRRKLQDQNC-OAQYLSRUSA-N 0 0 391.431 4.181 50 5 GIBARN CCCn1cc([C@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)cn1 ZINC000071785157 211061768 /nfs/dbraw/zinc/06/17/68/211061768.db2.gz KURAHJYSMCTERH-OAQYLSRUSA-N 0 0 391.431 4.263 50 5 GIBARN Cc1c(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)cccc1[N+](=O)[O-] ZINC000064980059 210958635 /nfs/dbraw/zinc/95/86/35/210958635.db2.gz FITOGTBEMWNMRL-UHFFFAOYSA-N 0 0 390.403 4.480 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCc3[nH]c4c(cccc4Br)c3C2)s1 ZINC000064029827 210938130 /nfs/dbraw/zinc/93/81/30/210938130.db2.gz DSSFJFLVHAOGGB-UHFFFAOYSA-N 0 0 378.251 4.463 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1ccc(F)cc1F ZINC000059785517 210925595 /nfs/dbraw/zinc/92/55/95/210925595.db2.gz MPNCJTADXWAUPC-UHFFFAOYSA-N 0 0 383.354 4.044 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000054783635 210878628 /nfs/dbraw/zinc/87/86/28/210878628.db2.gz ZMZBODHHSNLEEZ-FZKQIMNGSA-N 0 0 387.411 4.350 50 5 GIBARN C[C@H](OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C(=O)N(C)c1ccccc1 ZINC000023081378 210435010 /nfs/dbraw/zinc/43/50/10/210435010.db2.gz MHEKODQQKCBXML-LBPRGKRZSA-N 0 0 384.413 4.018 50 5 GIBARN O=c1oc2c(ccc3c2CN(CCc2ccc(F)cc2)CO3)c2ccccc12 ZINC000019882503 210304637 /nfs/dbraw/zinc/30/46/37/210304637.db2.gz UNRFIMIKCYDFIO-UHFFFAOYSA-N 0 0 375.399 4.480 50 5 GIBARN COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1[N+](=O)[O-] ZINC000012785079 221231063 /nfs/dbraw/zinc/23/10/63/221231063.db2.gz LRSKCSNDMAZMQS-UHFFFAOYSA-N 0 0 384.388 4.287 50 5 GIBARN CCOc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000006125010 136196818 /nfs/dbraw/zinc/19/68/18/136196818.db2.gz ZTPBWGZRDAVVPO-OAHLLOKOSA-N 0 0 383.448 4.482 50 5 GIBARN Cc1cc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Cl)cc1[N+](=O)[O-] ZINC000170649891 136199232 /nfs/dbraw/zinc/19/92/32/136199232.db2.gz SZZMBPDUJBQAHV-CQSZACIVSA-N 0 0 389.887 4.259 50 5 GIBARN Cc1c(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cnn1C ZINC000079495739 525504147 /nfs/dbraw/zinc/50/41/47/525504147.db2.gz CZHGUNWKIARFJT-UHFFFAOYSA-N 0 0 377.404 4.032 50 5 GIBARN Cc1sc2nc3c4ccccc4c(N4CCC(C)CC4)nn3c(=O)c2c1C ZINC000000719321 526895876 /nfs/dbraw/zinc/89/58/76/526895876.db2.gz ZMSKWKBIDNNSJK-UHFFFAOYSA-N 0 0 378.501 4.311 50 5 GIBARN CC(C)(C)OC(=O)Nc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000043214937 570271454 /nfs/dbraw/zinc/27/14/54/570271454.db2.gz HDOFIIQIDFBFQG-UHFFFAOYSA-N 0 0 398.372 4.197 50 5 GIBARN CCN(Cc1cccc(F)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000024654454 570277430 /nfs/dbraw/zinc/27/74/30/570277430.db2.gz PWUPQXWRBDKGRE-UHFFFAOYSA-N 0 0 381.201 4.159 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000000728433 570303943 /nfs/dbraw/zinc/30/39/43/570303943.db2.gz BODPNKYZDOQZIJ-UHFFFAOYSA-N 0 0 387.779 4.473 50 5 GIBARN COc1ccc(-n2c(/C=C\c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 ZINC000033414261 570312608 /nfs/dbraw/zinc/31/26/08/570312608.db2.gz VKQANZLYMKQMBT-GDNBJRDFSA-N 0 0 399.406 4.473 50 5 GIBARN O=C1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc3c(cc2N1)OCO3 ZINC000004912349 570363536 /nfs/dbraw/zinc/36/35/36/570363536.db2.gz ONJPBTYMAUAOSL-CQSZACIVSA-N 0 0 378.340 4.058 50 5 GIBARN COc1ccc(NC(=O)c2ccc(COc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004985707 570389367 /nfs/dbraw/zinc/38/93/67/570389367.db2.gz INCKCAMZGGCXDK-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN CCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 ZINC000005030252 570401178 /nfs/dbraw/zinc/40/11/78/570401178.db2.gz PYHLHSOOOVFXSL-UHFFFAOYSA-N 0 0 392.375 4.263 50 5 GIBARN CS(=O)(=O)c1ccc(Oc2ccc3oc4c(c3c2)CCCC4)c([N+](=O)[O-])c1 ZINC000006399220 570404630 /nfs/dbraw/zinc/40/46/30/570404630.db2.gz JARYTLFYTZGHKS-UHFFFAOYSA-N 0 0 387.413 4.416 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000005050409 570405605 /nfs/dbraw/zinc/40/56/05/570405605.db2.gz BTINIPRCWMGLSB-UHFFFAOYSA-N 0 0 382.397 4.477 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1Br ZINC000005102766 570417643 /nfs/dbraw/zinc/41/76/43/570417643.db2.gz NYOMHKURZLZAPQ-UHFFFAOYSA-N 0 0 383.173 4.147 50 5 GIBARN O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cccc([N+](=O)[O-])c1 ZINC000005127584 570420576 /nfs/dbraw/zinc/42/05/76/570420576.db2.gz DOYFZSWZUCTQBL-XYOKQWHBSA-N 0 0 387.317 4.268 50 5 GIBARN Cc1cccc(N(CC(=O)c2ccccc2)CC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000005131285 570423365 /nfs/dbraw/zinc/42/33/65/570423365.db2.gz OHEFFNIXRQDPRT-UHFFFAOYSA-N 0 0 388.423 4.475 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000005142984 570426160 /nfs/dbraw/zinc/42/61/60/570426160.db2.gz JNQNSSMSKDFHPC-MGPUTAFESA-N 0 0 398.459 4.344 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Br ZINC000005093873 570428941 /nfs/dbraw/zinc/42/89/41/570428941.db2.gz JBIISCNTVACCAH-UHFFFAOYSA-N 0 0 379.210 4.317 50 5 GIBARN Cc1ccc2nc3ccc(N4CCC(Cc5ccccc5)CC4)nn3c(=O)c2c1 ZINC000005152288 570429101 /nfs/dbraw/zinc/42/91/01/570429101.db2.gz CABPIZZOFVKABU-UHFFFAOYSA-N 0 0 384.483 4.010 50 5 GIBARN Cc1ccc2[nH]c(=O)c(-c3c4c[nH]nc4nc4c5ccc(O)cc5oc43)cc2c1 ZINC000218239710 570457946 /nfs/dbraw/zinc/45/79/46/570457946.db2.gz YQXHAVRKGTYJHM-UHFFFAOYSA-N 0 0 382.379 4.380 50 5 GIBARN NC(=O)CCn1ccc(NCc2c3ccccc3c(Cl)c3ccccc32)n1 ZINC000134145439 570469223 /nfs/dbraw/zinc/46/92/23/570469223.db2.gz PVOCNCXRHSQOES-UHFFFAOYSA-N 0 0 378.863 4.330 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000006602273 570492283 /nfs/dbraw/zinc/49/22/83/570492283.db2.gz HUCFITUGCRPMIX-SNVBAGLBSA-N 0 0 384.310 4.028 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCC2 ZINC000005193346 570499610 /nfs/dbraw/zinc/49/96/10/570499610.db2.gz MUKSGUOROZNQGR-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN CCCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccccc1F ZINC000005347894 570562362 /nfs/dbraw/zinc/56/23/62/570562362.db2.gz PAOUGFRUHIQUGE-UHFFFAOYSA-N 0 0 391.446 4.245 50 5 GIBARN Cc1nc2c(sc3nc4ccccc4n32)c(=O)n1Cc1ccc(Cl)cc1 ZINC000036646017 570567055 /nfs/dbraw/zinc/56/70/55/570567055.db2.gz CZMAWGKFWFMZRN-UHFFFAOYSA-N 0 0 380.860 4.269 50 5 GIBARN COc1ccc([C@@H]2c3cccn3CCCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347556 570629717 /nfs/dbraw/zinc/62/97/17/570629717.db2.gz IERFYPBGNXFFRD-JOCHJYFZSA-N 0 0 377.444 4.400 50 5 GIBARN O=C(COc1ccc2c(c1)oc(=O)c1c2CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000005547002 570630890 /nfs/dbraw/zinc/63/08/90/570630890.db2.gz SJTGUILOFCEIQE-UHFFFAOYSA-N 0 0 393.395 4.232 50 5 GIBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2c1ccc1ccccc12 ZINC000005568692 570646597 /nfs/dbraw/zinc/64/65/97/570646597.db2.gz ZCQBOLNEYPRPFO-UHFFFAOYSA-N 0 0 388.379 4.408 50 5 GIBARN COC(=O)c1cc(NC(=O)c2oc3ccc(Cl)cc3c2C)cc([N+](=O)[O-])c1 ZINC000524049136 570703083 /nfs/dbraw/zinc/70/30/83/570703083.db2.gz YALGYLBJGMMTGK-UHFFFAOYSA-N 0 0 388.763 4.342 50 5 GIBARN C[C@H](OC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006929209 570708530 /nfs/dbraw/zinc/70/85/30/570708530.db2.gz WIKIVLKNHMKPCG-JHMRYYBSSA-N 0 0 386.448 4.072 50 5 GIBARN CCOC(=O)c1ccc(Cl)cc1Nc1ccc([N+](=O)[O-])cc1C(=O)OCC ZINC000004377421 570723993 /nfs/dbraw/zinc/72/39/93/570723993.db2.gz LQIBGHJGSFMSOT-UHFFFAOYSA-N 0 0 392.795 4.345 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 ZINC000007002958 570737423 /nfs/dbraw/zinc/73/74/23/570737423.db2.gz JLEZORQRSNSRNC-HNNXBMFYSA-N 0 0 398.463 4.033 50 5 GIBARN CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000025201315 570740521 /nfs/dbraw/zinc/74/05/21/570740521.db2.gz QXNUDKSNVPATIV-UHFFFAOYSA-N 0 0 387.194 4.078 50 5 GIBARN COc1cccc2cc(C(=O)c3cc4c(ccc5ccccc54)oc3=O)c(=O)oc21 ZINC000000977804 570741626 /nfs/dbraw/zinc/74/16/26/570741626.db2.gz YIMFMCSWQTUUEV-UHFFFAOYSA-N 0 0 398.370 4.292 50 5 GIBARN Cc1ccc(CN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C2CC2)cc1 ZINC000025292918 570746445 /nfs/dbraw/zinc/74/64/45/570746445.db2.gz BMUSFTSMGCJGHT-UHFFFAOYSA-N 0 0 393.487 4.311 50 5 GIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)s1 ZINC000001055933 570748684 /nfs/dbraw/zinc/74/86/84/570748684.db2.gz GQFKJSFEGGSAOP-UHFFFAOYSA-N 0 0 384.236 4.281 50 5 GIBARN CCOC(=O)c1cc(C(=O)c2cccc([N+](=O)[O-])c2)n2c1ccc1ccccc12 ZINC000001098852 570752083 /nfs/dbraw/zinc/75/20/83/570752083.db2.gz VTVIDSLOEUWAHQ-UHFFFAOYSA-N 0 0 388.379 4.408 50 5 GIBARN COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001125664 570755283 /nfs/dbraw/zinc/75/52/83/570755283.db2.gz CONPVFXWICQINP-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN COc1ccccc1/C=C/c1nn(-c2ccc([N+](=O)[O-])cc2)c2c1ccccc2=O ZINC000096602326 570774725 /nfs/dbraw/zinc/77/47/25/570774725.db2.gz UQPFYZPQMCMWTQ-XNTDXEJSSA-N 0 0 399.406 4.473 50 5 GIBARN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000001181745 570790825 /nfs/dbraw/zinc/79/08/25/570790825.db2.gz ZQSHXDFLICCMFK-LLVKDONJSA-N 0 0 387.461 4.249 50 5 GIBARN COc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2C)cc1OC ZINC000001184246 570791383 /nfs/dbraw/zinc/79/13/83/570791383.db2.gz WITGLBBPNJECOR-UHFFFAOYSA-N 0 0 399.428 4.296 50 5 GIBARN COc1cc(Cl)c(C)cc1NC(=O)CCCNc1ccccc1[N+](=O)[O-] ZINC000032747475 570793476 /nfs/dbraw/zinc/79/34/76/570793476.db2.gz AOOQAKGXNXBIAJ-UHFFFAOYSA-N 0 0 377.828 4.396 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Sc1ccc(Cl)cc1 ZINC000005886141 570801533 /nfs/dbraw/zinc/80/15/33/570801533.db2.gz YVEKVEZBBYKENY-UHFFFAOYSA-N 0 0 398.893 4.184 50 5 GIBARN COc1ccccc1-n1c(/C=C/c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O ZINC000004659482 570805483 /nfs/dbraw/zinc/80/54/83/570805483.db2.gz HYNJUNCSKWIRPW-NTCAYCPXSA-N 0 0 399.406 4.473 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2cccs2)cc1 ZINC000004659406 570809165 /nfs/dbraw/zinc/80/91/65/570809165.db2.gz JUNUWBWUOZFSTD-QGZVFWFLSA-N 0 0 384.486 4.260 50 5 GIBARN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005966172 570809719 /nfs/dbraw/zinc/80/97/19/570809719.db2.gz TZLCNTDIQIOUNN-SECBINFHSA-N 0 0 383.187 4.086 50 5 GIBARN Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1[N+](=O)[O-] ZINC000004663268 570811950 /nfs/dbraw/zinc/81/19/50/570811950.db2.gz IYMMTSVSUPJJGP-UHFFFAOYSA-N 0 0 392.371 4.050 50 5 aggregator GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000006001191 570813051 /nfs/dbraw/zinc/81/30/51/570813051.db2.gz SSLVPTPCQROTJO-VIFPVBQESA-N 0 0 385.203 4.316 50 5 GIBARN Cc1ccc2[nH]c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nc2c1 ZINC000006017031 570814550 /nfs/dbraw/zinc/81/45/50/570814550.db2.gz XNEVMDKWBOVIFZ-UHFFFAOYSA-N 0 0 376.825 4.164 50 5 GIBARN O=C(c1cccc2ccccc21)n1cnnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000004501671 570816819 /nfs/dbraw/zinc/81/68/19/570816819.db2.gz LLTISRCULXGFSN-UHFFFAOYSA-N 0 0 390.424 4.320 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003885198 570817456 /nfs/dbraw/zinc/81/74/56/570817456.db2.gz HDHGDGQBEIRDGU-UHFFFAOYSA-N 0 0 380.731 4.068 50 5 GIBARN CCc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1[N+](=O)[O-] ZINC000032796319 570818282 /nfs/dbraw/zinc/81/82/82/570818282.db2.gz IQKFIEDBFPCHKC-HXUWFJFHSA-N 0 0 379.416 4.060 50 5 GIBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2N2CCCC2)cc1 ZINC000007256495 570821165 /nfs/dbraw/zinc/82/11/65/570821165.db2.gz DJSYVCHRJDANJS-UHFFFAOYSA-N 0 0 395.488 4.376 50 5 GIBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(NCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000004683744 570829523 /nfs/dbraw/zinc/82/95/23/570829523.db2.gz OUOSTUCAUOXMPU-IAGOWNOFSA-N 0 0 397.406 4.026 50 5 GIBARN Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1CCc1ccc(F)cc1 ZINC000012533582 570834816 /nfs/dbraw/zinc/83/48/16/570834816.db2.gz LZEHZDQQUQQFCL-UHFFFAOYSA-N 0 0 397.406 4.052 50 5 GIBARN Cc1cc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)ccc1[N+](=O)[O-] ZINC000007389193 570835216 /nfs/dbraw/zinc/83/52/16/570835216.db2.gz RZVCBLWAOBDANL-UHFFFAOYSA-N 0 0 388.383 4.036 50 5 GIBARN CN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000012550270 570853694 /nfs/dbraw/zinc/85/36/94/570853694.db2.gz SQNKOMWWCHNZJC-KRWDZBQOSA-N 0 0 399.838 4.235 50 5 GIBARN C[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012551415 570854909 /nfs/dbraw/zinc/85/49/09/570854909.db2.gz JNWIXZWAXKYUDQ-MRXNPFEDSA-N 0 0 382.464 4.270 50 5 GIBARN Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000012563989 570869251 /nfs/dbraw/zinc/86/92/51/570869251.db2.gz PRJPAYFFDFIJMG-LBPRGKRZSA-N 0 0 382.445 4.466 50 5 GIBARN C[C@@H]1c2ccsc2CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000032888529 570885867 /nfs/dbraw/zinc/88/58/67/570885867.db2.gz XPDLNZJGKMNJRW-OAHLLOKOSA-N 0 0 388.492 4.362 50 5 GIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])s2)n(-c2nc3ccccc3s2)n1 ZINC000016850995 570915027 /nfs/dbraw/zinc/91/50/27/570915027.db2.gz RTJCKSAGGQKOSU-UHFFFAOYSA-N 0 0 385.430 4.012 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccncc21 ZINC000012644819 570934329 /nfs/dbraw/zinc/93/43/29/570934329.db2.gz HCIGCNWYSVZCGM-KRWDZBQOSA-N 0 0 377.400 4.256 50 5 GIBARN CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(C(C)=O)cc1 ZINC000016890662 570934527 /nfs/dbraw/zinc/93/45/27/570934527.db2.gz CYGDXJWEOYHUOD-LCUIJRPUSA-N 0 0 398.418 4.297 50 5 GIBARN Cc1ccccc1NC(=O)CCSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004740799 570954874 /nfs/dbraw/zinc/95/48/74/570954874.db2.gz IAYDLLXNWCEQLL-UHFFFAOYSA-N 0 0 384.417 4.074 50 5 GIBARN COCCCNc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1[N+](=O)[O-] ZINC000004757965 570963479 /nfs/dbraw/zinc/96/34/79/570963479.db2.gz OITLERLDMHQWFC-UHFFFAOYSA-N 0 0 377.828 4.257 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000025834182 570975183 /nfs/dbraw/zinc/97/51/83/570975183.db2.gz SDIGACPGGMGTAF-CQSZACIVSA-N 0 0 398.850 4.326 50 5 GIBARN O=C(c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1)N1CCCc2ccccc21 ZINC000004810187 570995789 /nfs/dbraw/zinc/99/57/89/570995789.db2.gz ZHCRDOPTNMQCMA-UHFFFAOYSA-N 0 0 388.427 4.195 50 5 GIBARN COc1ccc(-c2cc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 ZINC000007639134 571009074 /nfs/dbraw/zinc/00/90/74/571009074.db2.gz PQJXYBBEGXLJEZ-UHFFFAOYSA-N 0 0 392.411 4.460 50 5 GIBARN COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000007668477 571013717 /nfs/dbraw/zinc/01/37/17/571013717.db2.gz OOHIVMKBIQWCHY-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN CC(C)C(=O)Nc1sc2c(c1C(=O)OCc1cccc([N+](=O)[O-])c1)CCC2 ZINC000007735767 571027639 /nfs/dbraw/zinc/02/76/39/571027639.db2.gz REXIHIKIENMZSX-UHFFFAOYSA-N 0 0 388.445 4.097 50 5 GIBARN CN(Cc1ccccc1)C(=O)Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000037555155 571030986 /nfs/dbraw/zinc/03/09/86/571030986.db2.gz XHOTVPXMWZREBV-UHFFFAOYSA-N 0 0 389.455 4.408 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1ccc(Br)cc1 ZINC000055860618 823055028 /nfs/dbraw/zinc/05/50/28/823055028.db2.gz HULFWWFMPFEMAL-MRXNPFEDSA-N 0 0 389.249 4.264 50 5 GIBARN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c1 ZINC000000853604 817373791 /nfs/dbraw/zinc/37/37/91/817373791.db2.gz MCISQQNWMPPAAT-ZDUSSCGKSA-N 0 0 398.444 4.381 50 5 GIBARN Cc1cc(C(=O)OCc2cccc(C(=O)c3ccccc3)c2)ccc1[N+](=O)[O-] ZINC000002871289 817403963 /nfs/dbraw/zinc/40/39/63/817403963.db2.gz YSPZZVINHSUKPF-UHFFFAOYSA-N 0 0 375.380 4.491 50 5 GIBARN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1OC ZINC000003199237 817421299 /nfs/dbraw/zinc/42/12/99/817421299.db2.gz NTMSFUJLUDOAND-UHFFFAOYSA-N 0 0 391.430 4.049 50 5 GIBARN Cc1cc(OC(=O)c2cccs2)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000003206260 817421897 /nfs/dbraw/zinc/42/18/97/817421897.db2.gz KXPJIRULHWRFGG-UHFFFAOYSA-N 0 0 389.410 4.288 50 5 GIBARN Cc1sc2ncnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)c2c1C ZINC000003321327 817436783 /nfs/dbraw/zinc/43/67/83/817436783.db2.gz UHDQOGAPLRUFBI-UHFFFAOYSA-N 0 0 389.458 4.375 50 5 GIBARN Cc1cc2occ(CC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2cc1C ZINC000003431797 817454750 /nfs/dbraw/zinc/45/47/50/817454750.db2.gz HKFVDQVIRVJPIT-UHFFFAOYSA-N 0 0 397.383 4.110 50 5 GIBARN CN(C)c1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004014483 817497458 /nfs/dbraw/zinc/49/74/58/817497458.db2.gz YPKPMOVYAGHPEM-UHFFFAOYSA-N 0 0 399.190 4.128 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000004037733 817499011 /nfs/dbraw/zinc/49/90/11/817499011.db2.gz XCPVIGPKJKUASG-UHFFFAOYSA-N 0 0 378.384 4.288 50 5 GIBARN COc1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000004122597 817505752 /nfs/dbraw/zinc/50/57/52/817505752.db2.gz ICDWGDLGONBKJV-UHFFFAOYSA-N 0 0 375.812 4.109 50 5 GIBARN COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cc1[N+](=O)[O-] ZINC000007793019 817916640 /nfs/dbraw/zinc/91/66/40/817916640.db2.gz BULOEOVMVIEUID-UHFFFAOYSA-N 0 0 395.440 4.468 50 5 GIBARN O=[N+]([O-])c1ncccc1Oc1nc(-c2cccnc2)nc2sc3c(c21)CCC3 ZINC000007982920 817975083 /nfs/dbraw/zinc/97/50/83/817975083.db2.gz QHDUMRJXSTZJGM-UHFFFAOYSA-N 0 0 391.412 4.338 50 5 GIBARN Cc1ccccc1-n1nnnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007982343 817975176 /nfs/dbraw/zinc/97/51/76/817975176.db2.gz WBBJTOTXYDORGE-UHFFFAOYSA-N 0 0 381.339 4.049 50 5 GIBARN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000008015080 817983530 /nfs/dbraw/zinc/98/35/30/817983530.db2.gz UJWGKYPSHXXVLK-UHFFFAOYSA-N 0 0 377.803 4.242 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])N1CCc2sccc2[C@H]1c1ccccc1 ZINC000008115123 818002653 /nfs/dbraw/zinc/00/26/53/818002653.db2.gz VYWLITWFAFCMKK-OAQYLSRUSA-N 0 0 394.452 4.209 50 5 GIBARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)/C=C/c1ccc([N+](=O)[O-])s1 ZINC000013107347 818203001 /nfs/dbraw/zinc/20/30/01/818203001.db2.gz NFCBQPZYGJHIHA-DCOXMYTLSA-N 0 0 379.850 4.004 50 5 GIBARN Cc1ccc2cccc(S(=O)(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2n1 ZINC000022228678 818784331 /nfs/dbraw/zinc/78/43/31/818784331.db2.gz PAJXTCVWVMMZQN-UHFFFAOYSA-N 0 0 396.346 4.303 50 5 GIBARN COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c([N+](=O)[O-])cc1O ZINC000028653344 820347678 /nfs/dbraw/zinc/34/76/78/820347678.db2.gz JGVMESJFYJTSJV-OAQYLSRUSA-N 0 0 388.383 4.298 50 5 GIBARN O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000031967678 820882176 /nfs/dbraw/zinc/88/21/76/820882176.db2.gz GGABADLXXZRTJH-UHFFFAOYSA-N 0 0 376.294 4.052 50 5 GIBARN O=C(COc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000032105930 820898633 /nfs/dbraw/zinc/89/86/33/820898633.db2.gz GIUALHWAQBGULK-UHFFFAOYSA-N 0 0 377.352 4.076 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)c1ccccc1OC(F)F ZINC000040095054 821136344 /nfs/dbraw/zinc/13/63/44/821136344.db2.gz LQCXGYDGHZDUJD-SNVBAGLBSA-N 0 0 381.335 4.088 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000040095715 821136415 /nfs/dbraw/zinc/13/64/15/821136415.db2.gz OMVSFOPOZJPCTO-UHFFFAOYSA-N 0 0 378.226 4.330 50 5 GIBARN COc1cc(OC)cc(-c2nnc(SCc3cccc([N+](=O)[O-])c3C)o2)c1 ZINC000040123006 821143296 /nfs/dbraw/zinc/14/32/96/821143296.db2.gz LOJVNWPRAHJNAY-UHFFFAOYSA-N 0 0 387.417 4.263 50 5 GIBARN CCn1c(SCc2cccc([N+](=O)[O-])c2C)nnc1-c1ccccc1OC ZINC000040127431 821143859 /nfs/dbraw/zinc/14/38/59/821143859.db2.gz ZHRWFWOCOITSKH-UHFFFAOYSA-N 0 0 384.461 4.483 50 5 GIBARN C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000040134553 821145905 /nfs/dbraw/zinc/14/59/05/821145905.db2.gz KHOGUZAAOXSBJX-QMMMGPOBSA-N 0 0 384.845 4.048 50 5 GIBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Br)cs1 ZINC000019309611 210240136 /nfs/dbraw/zinc/24/01/36/210240136.db2.gz HUGXQXDCSYHZGO-ONEGZZNKSA-N 0 0 383.223 4.161 50 5 GIBARN Cc1cc(C)c2nc(C)cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c2c1 ZINC000017077343 210200993 /nfs/dbraw/zinc/20/09/93/210200993.db2.gz XOZHKIJBVFMAFZ-UHFFFAOYSA-N 0 0 378.384 4.108 50 5 GIBARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000015866733 210175771 /nfs/dbraw/zinc/17/57/71/210175771.db2.gz WDDDVEVZKSVLKM-INIZCTEOSA-N 0 0 380.491 4.271 50 5 GIBARN COc1ccc(C2=N/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000015217132 210154424 /nfs/dbraw/zinc/15/44/24/210154424.db2.gz PHPJELVISAHXQQ-QPEQYQDCSA-N 0 0 393.182 4.255 50 5 GIBARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000014013997 210100366 /nfs/dbraw/zinc/10/03/66/210100366.db2.gz AVTWWPMMWVPAIH-UHFFFAOYSA-N 0 0 396.334 4.326 50 5 GIBARN Cc1nn(Cc2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)c(C)c1Cl ZINC000013960881 210098047 /nfs/dbraw/zinc/09/80/47/210098047.db2.gz MXXOYQDEKVNQKL-UHFFFAOYSA-N 0 0 397.895 4.019 50 5 GIBARN COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-] ZINC000013546311 210067604 /nfs/dbraw/zinc/06/76/04/210067604.db2.gz SBIAUMKZPWNLHQ-OQLLNIDSSA-N 0 0 390.804 4.498 50 5 GIBARN Cc1nc(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)cs1 ZINC000012795937 210010943 /nfs/dbraw/zinc/01/09/43/210010943.db2.gz IQVZBKLTOKUJPN-UHFFFAOYSA-N 0 0 377.809 4.203 50 5 GIBARN CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000009210621 209816639 /nfs/dbraw/zinc/81/66/39/209816639.db2.gz SIRBVOQHTLPQSI-UHFFFAOYSA-N 0 0 393.443 4.187 50 5 GIBARN Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccccc2[N+](=O)[O-])cc1 ZINC000008916196 209805383 /nfs/dbraw/zinc/80/53/83/209805383.db2.gz GDSDMGVPJYENTE-UHFFFAOYSA-N 0 0 380.400 4.104 50 5 GIBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCCC1=CCCCC1 ZINC000007797796 209746855 /nfs/dbraw/zinc/74/68/55/209746855.db2.gz XPDWDMSUTMOCHE-UHFFFAOYSA-N 0 0 377.491 4.303 50 5 GIBARN C[C@H](Sc1ncnc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006991360 209713005 /nfs/dbraw/zinc/71/30/05/209713005.db2.gz YCWPBPOFOPIQSM-NSHDSACASA-N 0 0 379.401 4.441 50 5 GIBARN O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005119962 209570534 /nfs/dbraw/zinc/57/05/34/209570534.db2.gz HKKQUSAUNRGDIP-UHFFFAOYSA-N 0 0 395.846 4.364 50 5 GIBARN CCCCOc1ccc(C2=NC(=CNc3cc([N+](=O)[O-])ccc3C)C(=O)O2)cc1 ZINC000004590627 209500674 /nfs/dbraw/zinc/50/06/74/209500674.db2.gz IUHGOQJPJBRPDH-UYRXBGFRSA-N 0 0 395.415 4.339 50 5 GIBARN Cc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000004071428 209463925 /nfs/dbraw/zinc/46/39/25/209463925.db2.gz ZJVYZHVTAQAKNZ-NSHDSACASA-N 0 0 379.210 4.072 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cn1)c1cccc(COc2cccc(Cl)c2)c1 ZINC000004151169 209467489 /nfs/dbraw/zinc/46/74/89/209467489.db2.gz UCMHNLCEDNLORC-UHFFFAOYSA-N 0 0 383.791 4.475 50 5 GIBARN Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C ZINC000004032517 209459742 /nfs/dbraw/zinc/45/97/42/209459742.db2.gz POLHHRNZKMWIDE-UHFFFAOYSA-N 0 0 382.445 4.128 50 5 GIBARN CNc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004014449 209458296 /nfs/dbraw/zinc/45/82/96/209458296.db2.gz HQRWBGJAKNWFPY-UHFFFAOYSA-N 0 0 385.163 4.104 50 5 GIBARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002981754 209403374 /nfs/dbraw/zinc/40/33/74/209403374.db2.gz SXWVZGPYIBBDMD-UHFFFAOYSA-N 0 0 393.790 4.234 50 5 GIBARN O=C1c2ccc(-c3nc4cc([N+](=O)[O-])ccc4o3)cc2C(=O)N1Cc1ccccc1 ZINC000002878081 209394310 /nfs/dbraw/zinc/39/43/10/209394310.db2.gz VUAFWSWWNOVJAG-UHFFFAOYSA-N 0 0 399.362 4.199 50 5 GIBARN Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000002836481 209390224 /nfs/dbraw/zinc/39/02/24/209390224.db2.gz OPOGMBQHRRTCIE-UHFFFAOYSA-N 0 0 388.836 4.019 50 5 GIBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Br)cc1 ZINC000002816094 209388774 /nfs/dbraw/zinc/38/87/74/209388774.db2.gz LQDODMQBDOSJKQ-UHFFFAOYSA-N 0 0 378.225 4.267 50 5 GIBARN O=[N+]([O-])c1ccc(OCc2cccc(-c3nc4c5ccccc5ncn4n3)c2)cc1 ZINC000002806590 209387591 /nfs/dbraw/zinc/38/75/91/209387591.db2.gz IWGOQACKQUWTPV-UHFFFAOYSA-N 0 0 397.394 4.432 50 5 GIBARN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002474120 209366149 /nfs/dbraw/zinc/36/61/49/209366149.db2.gz ZOBUEZRUHXFBEB-UHFFFAOYSA-N 0 0 393.790 4.234 50 5 GIBARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000002721923 209379963 /nfs/dbraw/zinc/37/99/63/209379963.db2.gz VIGGCMHZGRHSLT-UHFFFAOYSA-N 0 0 387.779 4.159 50 5 GIBARN O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000002701510 209378101 /nfs/dbraw/zinc/37/81/01/209378101.db2.gz MPJAREDPLUWCJW-UHFFFAOYSA-N 0 0 398.422 4.378 50 5 aggregator GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002420190 209363117 /nfs/dbraw/zinc/36/31/17/209363117.db2.gz SMTWBBSGJSYYQX-UHFFFAOYSA-N 0 0 383.455 4.310 50 5 GIBARN O=[N+]([O-])c1cccc(-c2nnc3c4ccccc4c(-c4ccc(O)cc4)nn23)c1 ZINC000002347575 209359183 /nfs/dbraw/zinc/35/91/83/209359183.db2.gz UIAGOZUYBZPAPL-UHFFFAOYSA-N 0 0 383.367 4.225 50 5 GIBARN Cc1nc2c(c3nc4ccccc4nc3n2CC(C)C)c(=O)n1C1CCCC1 ZINC000002247797 209352606 /nfs/dbraw/zinc/35/26/06/209352606.db2.gz WEMYZKXRXCUWAJ-UHFFFAOYSA-N 0 0 375.476 4.374 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000001935280 209342590 /nfs/dbraw/zinc/34/25/90/209342590.db2.gz LGPGGOZAMRNQBP-RUDMXATFSA-N 0 0 396.384 4.278 50 5 GIBARN CCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccccc3nc21 ZINC000001848393 209341255 /nfs/dbraw/zinc/34/12/55/209341255.db2.gz SAUMKFUHBROBND-UHFFFAOYSA-N 0 0 375.388 4.155 50 5 GIBARN CCCCCC(=O)N[C@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000001787063 209340138 /nfs/dbraw/zinc/34/01/38/209340138.db2.gz DCGQECDXZBESQM-ZDUSSCGKSA-N 0 0 382.675 4.400 50 5 GIBARN Cc1c(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)cccc1[N+](=O)[O-] ZINC000010140066 209320975 /nfs/dbraw/zinc/32/09/75/209320975.db2.gz FSEMBJLVUKPESD-UHFFFAOYSA-N 0 0 392.459 4.203 50 5 GIBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000001312102 209318667 /nfs/dbraw/zinc/31/86/67/209318667.db2.gz ODQBBPDYXYUIAO-UHFFFAOYSA-N 0 0 379.338 4.466 50 5 GIBARN O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000001452521 209329764 /nfs/dbraw/zinc/32/97/64/209329764.db2.gz IRJNQLWVLRZAAT-CQSZACIVSA-N 0 0 389.622 4.100 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CCCC2 ZINC000001445456 209328425 /nfs/dbraw/zinc/32/84/25/209328425.db2.gz YJGQDZZHAHCBOA-UHFFFAOYSA-N 0 0 388.445 4.273 50 5 GIBARN O=C(NCc1ccco1)c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2[nH]1 ZINC000001431915 209327570 /nfs/dbraw/zinc/32/75/70/209327570.db2.gz MPLKWEVTZCAURH-UHFFFAOYSA-N 0 0 394.412 4.145 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] ZINC000001186725 209311970 /nfs/dbraw/zinc/31/19/70/209311970.db2.gz NRYGVRRTIUWZOC-UHFFFAOYSA-N 0 0 381.413 4.469 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)cc1Cl ZINC000001179538 209311179 /nfs/dbraw/zinc/31/11/79/209311179.db2.gz MQLRYHNYSUBNSM-QPJJXVBHSA-N 0 0 396.255 4.428 50 5 GIBARN CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001175094 209309852 /nfs/dbraw/zinc/30/98/52/209309852.db2.gz FQPHPZBZTAOGSV-UHFFFAOYSA-N 0 0 375.425 4.158 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c(c1)oc(=O)c1ccccc21 ZINC000001143110 209305699 /nfs/dbraw/zinc/30/56/99/209305699.db2.gz CPSFHMMWDKNISM-UHFFFAOYSA-N 0 0 377.352 4.442 50 5 GIBARN O=C(Nc1ccccc1C(=O)Nc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000001140590 209305427 /nfs/dbraw/zinc/30/54/27/209305427.db2.gz VMMLHGMQFCQGFV-UHFFFAOYSA-N 0 0 379.347 4.239 50 5 GIBARN O=C(COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 ZINC000001109364 209301701 /nfs/dbraw/zinc/30/17/01/209301701.db2.gz AOFCPBUEHTTYOE-UHFFFAOYSA-N 0 0 394.358 4.248 50 5 GIBARN O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000001111320 209300788 /nfs/dbraw/zinc/30/07/88/209300788.db2.gz LGUSOPLAXYKLBN-UHFFFAOYSA-N 0 0 391.412 4.156 50 5 GIBARN O=C(CSCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1 ZINC000001056257 209294180 /nfs/dbraw/zinc/29/41/80/209294180.db2.gz RBEWHUXLHSTAAY-UHFFFAOYSA-N 0 0 380.425 4.303 50 5 GIBARN COc1ccccc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000001033171 209290044 /nfs/dbraw/zinc/29/00/44/209290044.db2.gz BZEIFDKFVRGYHV-UHFFFAOYSA-N 0 0 386.351 4.353 50 5 GIBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000001032085 209289675 /nfs/dbraw/zinc/28/96/75/209289675.db2.gz TZUUPIVDDLREKQ-UHFFFAOYSA-N 0 0 379.338 4.466 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000000957947 209283990 /nfs/dbraw/zinc/28/39/90/209283990.db2.gz HEWOGUTYOIBBJT-UHFFFAOYSA-N 0 0 376.368 4.375 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2 ZINC000000943478 209281945 /nfs/dbraw/zinc/28/19/45/209281945.db2.gz BFNQFACEGLTWQF-NSHDSACASA-N 0 0 388.445 4.210 50 5 GIBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3O)nc2c1 ZINC000000830448 209270174 /nfs/dbraw/zinc/27/01/74/209270174.db2.gz KCXNZOFBUMJGLZ-UHFFFAOYSA-N 0 0 379.328 4.262 50 5 GIBARN CCOC(=O)c1cc([N+](=O)[O-])cnc1/C=C/c1c(C)nn(-c2ccccc2)c1C ZINC000016694787 209234966 /nfs/dbraw/zinc/23/49/66/209234966.db2.gz AGKFDBIZBBXBLY-ZHACJKMWSA-N 0 0 392.415 4.139 50 5 GIBARN O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2ccc3ccccc3c2o1 ZINC000054105921 209212861 /nfs/dbraw/zinc/21/28/61/209212861.db2.gz SIRQJDJBLLSSJT-UHFFFAOYSA-N 0 0 388.442 4.408 50 5 GIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000102781186 211415421 /nfs/dbraw/zinc/41/54/21/211415421.db2.gz WNMCKUDRUZXJGH-IYBDPMFKSA-N 0 0 397.406 4.026 50 5 GIBARN Cc1ccc([N+](=O)[O-])c2ccc(-c3cc([N+](=O)[O-])c(N(C)C)c([N+](=O)[O-])c3)nc12 ZINC000100680652 211388297 /nfs/dbraw/zinc/38/82/97/211388297.db2.gz SPFOJHRQYLFUMN-UHFFFAOYSA-N 0 0 397.347 4.001 50 5 GIBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(NN(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000100390001 211386563 /nfs/dbraw/zinc/38/65/63/211386563.db2.gz HHEAADYXPMHMCT-UHFFFAOYSA-N 0 0 394.323 4.400 50 5 in-vitro GIBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000097996033 211376131 /nfs/dbraw/zinc/37/61/31/211376131.db2.gz YPBFPASXJQNRQW-SEYXRHQNSA-N 0 0 390.443 4.069 50 5 GIBARN CC(C)[C@@H](NC(=O)CCc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096276876 211330146 /nfs/dbraw/zinc/33/01/46/211330146.db2.gz KTSIDFQEXAONDE-LJQANCHMSA-N 0 0 394.431 4.091 50 5 GIBARN CC(C)CNC(=O)C[C@@H](c1cn(C)c2ccccc12)c1ccccc1[N+](=O)[O-] ZINC000096277091 211330156 /nfs/dbraw/zinc/33/01/56/211330156.db2.gz LONALNFRVNWPRW-GOSISDBHSA-N 0 0 379.460 4.381 50 5 GIBARN COc1ccc2[nH]cc([C@H](CC(=O)NCC(C)C)c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000096276773 211329974 /nfs/dbraw/zinc/32/99/74/211329974.db2.gz HGUBVAZZNIMZPR-GOSISDBHSA-N 0 0 395.459 4.379 50 5 GIBARN CC[C@@H](C)[C@@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277254 211329878 /nfs/dbraw/zinc/32/98/78/211329878.db2.gz PBLHRQJQAMRNJG-RDTXWAMCSA-N 0 0 394.431 4.470 50 5 GIBARN O=C(CCCn1ccnc1)Nc1cc([N+](=O)[O-])ccc1Sc1cccs1 ZINC000095430424 211239275 /nfs/dbraw/zinc/23/92/75/211239275.db2.gz JYTPAHLMPOWAPY-UHFFFAOYSA-N 0 0 388.474 4.423 50 5 GIBARN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2[nH]c(C3CCCCC3)nc2c1 ZINC000078976517 211151377 /nfs/dbraw/zinc/15/13/77/211151377.db2.gz OQOAFGFVAHBDDY-UHFFFAOYSA-N 0 0 396.451 4.053 50 5 GIBARN O=C(c1c[nH]nc1-c1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1 ZINC000072328733 211092117 /nfs/dbraw/zinc/09/21/17/211092117.db2.gz BVTZLXWFJHGTOP-UHFFFAOYSA-N 0 0 390.443 4.080 50 5 GIBARN O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000064984007 210958417 /nfs/dbraw/zinc/95/84/17/210958417.db2.gz OAPLIKRPYASVJU-INIZCTEOSA-N 0 0 378.425 4.040 50 5 GIBARN CCCCCCC(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037637242 210744498 /nfs/dbraw/zinc/74/44/98/210744498.db2.gz PMEJDQALAUDPNG-UHFFFAOYSA-N 0 0 390.461 4.337 50 5 GIBARN O=C(Nc1cnc2ccccc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000023353071 210443840 /nfs/dbraw/zinc/44/38/40/210443840.db2.gz KOJOXJFOIMIXES-UHFFFAOYSA-N 0 0 376.416 4.386 50 5 GIBARN O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)nc1 ZINC000023616933 210449350 /nfs/dbraw/zinc/44/93/50/210449350.db2.gz AGIRYIPXHXACAK-INIZCTEOSA-N 0 0 382.445 4.184 50 5 GIBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCSc2ccccc21 ZINC000021899771 210399160 /nfs/dbraw/zinc/39/91/60/210399160.db2.gz ZRHMUJOLCFZYPA-KRWDZBQOSA-N 0 0 385.489 4.408 50 5 GIBARN CC(=O)N1N=C(c2ccccc2)O[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000021090572 210376656 /nfs/dbraw/zinc/37/66/56/210376656.db2.gz JKLRAYUGSCMLPO-FQEVSTJZSA-N 0 0 377.356 4.094 50 5 GIBARN CC(=O)N1N=C(c2cc3ccccc3nc2Cl)O[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021091737 210376743 /nfs/dbraw/zinc/37/67/43/210376743.db2.gz GDGSGSYTFCBRLT-IBGZPJMESA-N 0 0 396.790 4.036 50 5 GIBARN CC1CCC(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1 ZINC000020516244 210343608 /nfs/dbraw/zinc/34/36/08/210343608.db2.gz IGBRELNHTCBHLD-UHFFFAOYSA-N 0 0 386.496 4.025 50 5 GIBARN COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000001128320 220476743 /nfs/dbraw/zinc/47/67/43/220476743.db2.gz WHWLAYCSTWUWSR-OVCLIPMQSA-N 0 0 390.804 4.498 50 5 GIBARN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccncc1 ZINC000048356270 132433069 /nfs/dbraw/zinc/43/30/69/132433069.db2.gz GTKXAXPRYIOQTR-GOSISDBHSA-N 0 0 380.791 4.414 50 5 GIBARN C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006062223 570232563 /nfs/dbraw/zinc/23/25/63/570232563.db2.gz NLTUBMKEWCNVJW-PGBBXINNSA-N 0 0 392.883 4.348 50 5 GIBARN CCOc1cc2c(cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000012895828 570286885 /nfs/dbraw/zinc/28/68/85/570286885.db2.gz ABACSQXSPSXEKC-JTQLQIEISA-N 0 0 376.796 4.223 50 5 GIBARN COCCCNc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1[N+](=O)[O-] ZINC000004838977 570306952 /nfs/dbraw/zinc/30/69/52/570306952.db2.gz ZUYBFSYBLMVYOD-UHFFFAOYSA-N 0 0 377.828 4.257 50 5 GIBARN COc1cc2c(c(OC)c1[N+](=O)[O-])C=C[C@]1(O2)N(C)c2ccccc2C1(C)C ZINC000000728329 570308933 /nfs/dbraw/zinc/30/89/33/570308933.db2.gz STKCPHGHUFFPJW-OAQYLSRUSA-N 0 0 382.416 4.142 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1c(C)nn(-c2ccccc2)c1Cl ZINC000000751776 570312818 /nfs/dbraw/zinc/31/28/18/570312818.db2.gz DQILRVSGAIYWDB-UHFFFAOYSA-N 0 0 386.795 4.003 50 5 GIBARN Cc1noc([C@H]2CCCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])C2)n1 ZINC000053576513 570326074 /nfs/dbraw/zinc/32/60/74/570326074.db2.gz KXVMEUDRHNPIFZ-VIFPVBQESA-N 0 0 390.749 4.342 50 5 GIBARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000004889232 570356662 /nfs/dbraw/zinc/35/66/62/570356662.db2.gz AQNMCDPYPROWTM-BJESRGMDSA-N 0 0 397.434 4.071 50 5 GIBARN Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000004891976 570357686 /nfs/dbraw/zinc/35/76/86/570357686.db2.gz FQLIJXVRHUCGLX-OAHLLOKOSA-N 0 0 377.400 4.371 50 5 GIBARN Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(N)c21 ZINC000006275828 570358418 /nfs/dbraw/zinc/35/84/18/570358418.db2.gz AXDIXYIJMBXKAM-UHFFFAOYSA-N 0 0 396.350 4.366 50 5 GIBARN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004907194 570359588 /nfs/dbraw/zinc/35/95/88/570359588.db2.gz UZLLXTVMUNKHII-UHFFFAOYSA-N 0 0 376.796 4.019 50 5 GIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1ccccc1Cl ZINC000005023265 570398464 /nfs/dbraw/zinc/39/84/64/570398464.db2.gz RHVZVGPSOZYRSU-JXMROGBWSA-N 0 0 376.865 4.311 50 5 GIBARN CCOC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1c(C)c(C)sc12 ZINC000004755033 570402993 /nfs/dbraw/zinc/40/29/93/570402993.db2.gz CPHGSMLWCULANH-UHFFFAOYSA-N 0 0 392.440 4.145 50 5 GIBARN Cc1ccc(CNc2nc(N)c([N+](=O)[O-])c(Nc3cccc(Cl)c3)n2)cc1 ZINC000005049889 570405493 /nfs/dbraw/zinc/40/54/93/570405493.db2.gz YXLLQBGIWVEUED-UHFFFAOYSA-N 0 0 384.827 4.285 50 5 GIBARN Cc1ccc(NC(=O)CCC(=O)OCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000005059730 570406953 /nfs/dbraw/zinc/40/69/53/570406953.db2.gz XCGREHWIMHQTHN-UHFFFAOYSA-N 0 0 394.786 4.158 50 5 GIBARN O=C(N/C(=C/c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000005062112 570408991 /nfs/dbraw/zinc/40/89/91/570408991.db2.gz UADOWZBOXZTZQH-SFQUDFHCSA-N 0 0 390.424 4.461 50 5 GIBARN CSc1ccc(C(=O)NCCOc2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000010993220 570416974 /nfs/dbraw/zinc/41/69/74/570416974.db2.gz YKKSPTQQGMBENN-UHFFFAOYSA-N 0 0 382.441 4.279 50 5 GIBARN CCCn1nc(NC(=O)c2ccc([N+](=O)[O-])cc2)c2cc3cc(C)ccc3nc21 ZINC000005120280 570420435 /nfs/dbraw/zinc/42/04/35/570420435.db2.gz NRHZRFIERPJXIL-UHFFFAOYSA-N 0 0 389.415 4.463 50 5 GIBARN O=C(c1cccc([N+](=O)[O-])c1)N1CCc2c(c3ccccc3n2CC2CC2)C1 ZINC000035972881 570490592 /nfs/dbraw/zinc/49/05/92/570490592.db2.gz MOVDBAMMRWYCJV-UHFFFAOYSA-N 0 0 375.428 4.158 50 5 GIBARN CCOc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005249585 570525448 /nfs/dbraw/zinc/52/54/48/570525448.db2.gz KFPCUUPHJBQYSB-UHFFFAOYSA-N 0 0 380.408 4.161 50 5 GIBARN O=[N+]([O-])c1ccc(S(=O)(=O)N(Cc2ccccc2F)c2ccccc2)cc1 ZINC000036247591 570581662 /nfs/dbraw/zinc/58/16/62/570581662.db2.gz RRZMKYLQBMZQBC-UHFFFAOYSA-N 0 0 386.404 4.129 50 5 GIBARN COc1cccc(OC)c1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003512696 570610108 /nfs/dbraw/zinc/61/01/08/570610108.db2.gz WQALFSFLBAPKEB-UHFFFAOYSA-N 0 0 390.391 4.320 50 5 GIBARN COc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1[N+](=O)[O-] ZINC000006826370 570622015 /nfs/dbraw/zinc/62/20/15/570622015.db2.gz WVHBQGBWUTVYBC-UHFFFAOYSA-N 0 0 377.809 4.427 50 5 GIBARN O=[N+]([O-])c1cccc([C@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])c1 ZINC000036347294 570629290 /nfs/dbraw/zinc/62/92/90/570629290.db2.gz BFSLTJUMCHMUSV-NRFANRHFSA-N 0 0 392.415 4.300 50 5 GIBARN COc1ccc(CN2CCCn3cccc3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347764 570630164 /nfs/dbraw/zinc/63/01/64/570630164.db2.gz KHHMEQDNAANMER-JOCHJYFZSA-N 0 0 377.444 4.400 50 5 GIBARN O=[N+]([O-])c1ccc([C@H]2c3cccn3CCCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036347759 570630224 /nfs/dbraw/zinc/63/02/24/570630224.db2.gz DDEORTKNVKVSBV-NRFANRHFSA-N 0 0 392.415 4.300 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)s2)cs1 ZINC000012396710 570646777 /nfs/dbraw/zinc/64/67/77/570646777.db2.gz ZELYMFQOLGMMPS-UHFFFAOYSA-N 0 0 387.486 4.369 50 5 GIBARN O=C(c1n[nH]c2ccc([N+](=O)[O-])cc21)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000036395069 570678725 /nfs/dbraw/zinc/67/87/25/570678725.db2.gz TYAWVPDMBSCDEE-HNNXBMFYSA-N 0 0 393.428 4.058 50 5 GIBARN O=C(/C=C\c1ccccc1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000017178089 570701409 /nfs/dbraw/zinc/70/14/09/570701409.db2.gz TXHKQFWOWKYNEN-WDZFZDKYSA-N 0 0 392.440 4.179 50 5 GIBARN C[C@H]1C[C@@H](N2CN=C(SCc3ccc([N+](=O)[O-])cc3)NC2)CC(C)(C)C1 ZINC000004365431 570706671 /nfs/dbraw/zinc/70/66/71/570706671.db2.gz HPIRSHRPVUJCMB-WMLDXEAASA-N 0 0 376.526 4.219 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000004427473 570753942 /nfs/dbraw/zinc/75/39/42/570753942.db2.gz WTDYBJREKHVEED-UHFFFAOYSA-N 0 0 387.779 4.473 50 5 GIBARN CS(=O)(=O)c1ccc(NCCC23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1 ZINC000015164391 570786479 /nfs/dbraw/zinc/78/64/79/570786479.db2.gz UAJNEDYZDIADDE-UHFFFAOYSA-N 0 0 378.494 4.017 50 5 GIBARN CCOc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1[N+](=O)[O-] ZINC000024391877 570796554 /nfs/dbraw/zinc/79/65/54/570796554.db2.gz ZFZMCQKXIPIEOH-UHFFFAOYSA-N 0 0 397.475 4.256 50 5 GIBARN Cc1ccc(Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004684054 570830142 /nfs/dbraw/zinc/83/01/42/570830142.db2.gz MHANJLBEWVGHCU-IRXDYDNUSA-N 0 0 377.400 4.102 50 5 GIBARN O=C(CSc1nc2ccccc2o1)c1cc([N+](=O)[O-])ccc1Br ZINC000007342110 570831910 /nfs/dbraw/zinc/83/19/10/570831910.db2.gz RVZFLZJNZJOYST-UHFFFAOYSA-N 0 0 393.218 4.474 50 5 GIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3SC)nc21 ZINC000004517373 570833221 /nfs/dbraw/zinc/83/32/21/570833221.db2.gz BMWQQFYGJGIFBZ-UHFFFAOYSA-N 0 0 375.431 4.187 50 5 GIBARN CC(C)(C)c1ccc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000004703581 570842884 /nfs/dbraw/zinc/84/28/84/570842884.db2.gz AMUICVCZGQILGU-UHFFFAOYSA-N 0 0 375.856 4.388 50 5 GIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000102782509 570863221 /nfs/dbraw/zinc/86/32/21/570863221.db2.gz OUOSTUCAUOXMPU-CALCHBBNSA-N 0 0 397.406 4.026 50 5 GIBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 ZINC000012594474 570884250 /nfs/dbraw/zinc/88/42/50/570884250.db2.gz IILCIWBDQFFKJX-UHFFFAOYSA-N 0 0 398.850 4.225 50 5 GIBARN Cc1cccc(COc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)c1 ZINC000032915062 570925939 /nfs/dbraw/zinc/92/59/39/570925939.db2.gz OYLKUMWAGATDPH-UHFFFAOYSA-N 0 0 376.412 4.412 50 5 GIBARN COc1ccc(NC(=O)c2ccc(N(C)Cc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000004748574 570954616 /nfs/dbraw/zinc/95/46/16/570954616.db2.gz RMZFIHHNCCIWJY-UHFFFAOYSA-N 0 0 391.427 4.492 50 5 GIBARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000011314196 570966652 /nfs/dbraw/zinc/96/66/52/570966652.db2.gz VXXHKPXPNRAZHO-CQSZACIVSA-N 0 0 395.415 4.001 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000025834187 570975127 /nfs/dbraw/zinc/97/51/27/570975127.db2.gz SDIGACPGGMGTAF-AWEZNQCLSA-N 0 0 398.850 4.326 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCc1cc(F)cc2c1OCOC2 ZINC000084341175 571013524 /nfs/dbraw/zinc/01/35/24/571013524.db2.gz ONBMUKDVFPOMON-UHFFFAOYSA-N 0 0 386.301 4.274 50 5 GIBARN CC[C@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000084718793 571033440 /nfs/dbraw/zinc/03/34/40/571033440.db2.gz NRCCNYKDVAZZJD-IBGZPJMESA-N 0 0 394.431 4.089 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@H]1c1ccc(Br)cc1 ZINC000055860619 823054978 /nfs/dbraw/zinc/05/49/78/823054978.db2.gz HULFWWFMPFEMAL-INIZCTEOSA-N 0 0 389.249 4.264 50 5 GIBARN O=C(Nc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc(F)cc1 ZINC000003184375 817420435 /nfs/dbraw/zinc/42/04/35/817420435.db2.gz OAEOAYHPPYHQPJ-UHFFFAOYSA-N 0 0 379.347 4.239 50 5 GIBARN O=C(Nc1ccccc1)[C@H](C(=O)c1ccccc1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000003201267 817421392 /nfs/dbraw/zinc/42/13/92/817421392.db2.gz VXVZXDKQCWZUDQ-SFTDATJTSA-N 0 0 388.423 4.185 50 5 GIBARN CSc1nc2ccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2s1 ZINC000003250321 817428171 /nfs/dbraw/zinc/42/81/71/817428171.db2.gz XGDKOPYTSWQAOK-SNVBAGLBSA-N 0 0 388.474 4.366 50 5 GIBARN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1Cl ZINC000003375083 817444587 /nfs/dbraw/zinc/44/45/87/817444587.db2.gz MFAMPPKXFOAIMN-UHFFFAOYSA-N 0 0 380.731 4.068 50 5 GIBARN Cc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cccc1[N+](=O)[O-] ZINC000003411181 817451273 /nfs/dbraw/zinc/45/12/73/817451273.db2.gz XODNTOIZOWZPOQ-UHFFFAOYSA-N 0 0 391.431 4.140 50 5 GIBARN Cc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(C)n1CC(F)(F)F ZINC000003445484 817457399 /nfs/dbraw/zinc/45/73/99/817457399.db2.gz OXTNLLSMGTVSIM-UHFFFAOYSA-N 0 0 390.745 4.491 50 5 GIBARN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1[N+](=O)[O-] ZINC000003449552 817458092 /nfs/dbraw/zinc/45/80/92/817458092.db2.gz APJNJTACRZCYBK-UHFFFAOYSA-N 0 0 387.392 4.427 50 5 GIBARN CN(C)c1c(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004014453 817497156 /nfs/dbraw/zinc/49/71/56/817497156.db2.gz HHPKZYBTUQDNNT-UHFFFAOYSA-N 0 0 399.190 4.128 50 5 GIBARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004122626 817505776 /nfs/dbraw/zinc/50/57/76/817505776.db2.gz RBXXBSVLGOFYBK-UHFFFAOYSA-N 0 0 394.475 4.438 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(Cl)c1 ZINC000004180810 817509307 /nfs/dbraw/zinc/50/93/07/817509307.db2.gz WRAWEKPXIMMARG-UHFFFAOYSA-N 0 0 397.218 4.136 50 5 GIBARN CCOC(=O)c1cc(N)ccc1-c1c2ccc([O-])cc2oc2cc(=O)ccc1-2 ZINC000004718455 817533091 /nfs/dbraw/zinc/53/30/91/817533091.db2.gz MUGROJVUWOVYPG-UHFFFAOYSA-N 0 0 375.380 4.029 50 5 GIBARN O=[N+]([O-])c1ccc(NCCCOc2nonc2-c2ccccc2)c2ncccc12 ZINC000022340076 818794353 /nfs/dbraw/zinc/79/43/53/818794353.db2.gz CIKJVMKQHVWXLE-UHFFFAOYSA-N 0 0 391.387 4.074 50 5 GIBARN Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000030276110 820594544 /nfs/dbraw/zinc/59/45/44/820594544.db2.gz GFHXTXVPNVVWGO-HXUWFJFHSA-N 0 0 379.416 4.308 50 5 GIBARN O=[N+]([O-])c1ccc(Sc2nnc(NCc3ccc(F)cc3)s2)c(F)c1 ZINC000040091195 821135711 /nfs/dbraw/zinc/13/57/11/821135711.db2.gz FDIDULSCIJNWCM-UHFFFAOYSA-N 0 0 380.401 4.488 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(OCCC(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000040106598 821138850 /nfs/dbraw/zinc/13/88/50/821138850.db2.gz HEOIVJJWSNNFNJ-UHFFFAOYSA-N 0 0 381.388 4.329 50 5 GIBARN O=C(Nc1ccccc1[N+](=O)[O-])N[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000040139295 821146433 /nfs/dbraw/zinc/14/64/33/821146433.db2.gz XFEOXBGHRIHIRG-IBGZPJMESA-N 0 0 390.399 4.096 50 5 GIBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054783639 822912707 /nfs/dbraw/zinc/91/27/07/822912707.db2.gz ZMZBODHHSNLEEZ-ACJLOTCBSA-N 0 0 387.411 4.350 50 5 GIBARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc([N+](=O)[O-])cc1)NC2 ZINC000054979030 822927614 /nfs/dbraw/zinc/92/76/14/822927614.db2.gz ZIOXKFPYSIVBGL-JOCHJYFZSA-N 0 0 393.443 4.376 50 5 GIBARN O=C(Nc1ccc(OC[C@H](O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000027214400 230914608 /nfs/dbraw/zinc/91/46/08/230914608.db2.gz UTJJWJDHKFEGQO-KRWDZBQOSA-N 0 0 384.413 4.021 50 5 GIBARN COc1ccc(/N=c2\oc3ccc4ccccc4c3cc2C(=O)NC(C)=O)cc1 ZINC000017130760 210206076 /nfs/dbraw/zinc/20/60/76/210206076.db2.gz PXXTVBMNVBIGNU-BZZOAKBMSA-N 0 0 386.407 4.103 50 5 GIBARN CCn1c(SCn2cc([N+](=O)[O-])cn2)nnc1-c1csc2ccccc12 ZINC000017078864 210203089 /nfs/dbraw/zinc/20/30/89/210203089.db2.gz XTVHURSSHNSAJM-UHFFFAOYSA-N 0 0 386.462 4.034 50 5 GIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(=O)[nH]c2ccccc21 ZINC000016049286 210182827 /nfs/dbraw/zinc/18/28/27/210182827.db2.gz FOXNSAWQWRJKKN-UHFFFAOYSA-N 0 0 397.386 4.145 50 5 GIBARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000015866752 210175701 /nfs/dbraw/zinc/17/57/01/210175701.db2.gz YQCRSRHDYZSUAD-OAHLLOKOSA-N 0 0 380.491 4.271 50 5 GIBARN CC1=C(C)C[C@@H]2C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 ZINC000013424124 210060988 /nfs/dbraw/zinc/06/09/88/210060988.db2.gz FJCJXTYCNLBKCY-BGYRXZFFSA-N 0 0 376.412 4.498 50 5 GIBARN CC(=O)Oc1cn(Cc2cccs2)c2nc(C)n3c4ccccc4nc3c12 ZINC000013228197 210054622 /nfs/dbraw/zinc/05/46/22/210054622.db2.gz DVSHXHSQQWCQQV-UHFFFAOYSA-N 0 0 376.441 4.181 50 5 GIBARN CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)c([N+](=O)[O-])cc1OC ZINC000012987043 210042348 /nfs/dbraw/zinc/04/23/48/210042348.db2.gz PYKVSUPJZAGUCN-UHFFFAOYSA-N 0 0 399.428 4.378 50 5 GIBARN Cc1c(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cccc1[N+](=O)[O-] ZINC000012984841 210040429 /nfs/dbraw/zinc/04/04/29/210040429.db2.gz JJFYYPYMFKHBDN-UHFFFAOYSA-N 0 0 382.445 4.365 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)s2)cs1 ZINC000012796673 210012078 /nfs/dbraw/zinc/01/20/78/210012078.db2.gz FTZVDMAHSQRNLX-UHFFFAOYSA-N 0 0 387.486 4.369 50 5 GIBARN Cc1ccc(OCc2nc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1 ZINC000012774357 210006548 /nfs/dbraw/zinc/00/65/48/210006548.db2.gz HJCAQSITRFOLTQ-UHFFFAOYSA-N 0 0 383.429 4.499 50 5 GIBARN O=[N+]([O-])c1ccc2c(c1)nc(CSc1nncs1)n2-c1ccc(F)cc1 ZINC000008706028 209793630 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GIBARN CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000001102612 209299417 /nfs/dbraw/zinc/29/94/17/209299417.db2.gz UFSJCGVYRVNZLX-UHFFFAOYSA-N 0 0 388.445 4.354 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1 ZINC000001085678 209298318 /nfs/dbraw/zinc/29/83/18/209298318.db2.gz CEDVIXXAQHMUTP-UHFFFAOYSA-N 0 0 385.335 4.204 50 5 GIBARN Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000001081652 209298074 /nfs/dbraw/zinc/29/80/74/209298074.db2.gz LVTBHLPPSXOIAL-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN COc1ccc2[nH]c(C)c(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2c1 ZINC000001072211 209296521 /nfs/dbraw/zinc/29/65/21/209296521.db2.gz RGQSCJJOBRCXLT-UHFFFAOYSA-N 0 0 387.823 4.019 50 5 biogenic,in-vitro GIBARN O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001066061 209295816 /nfs/dbraw/zinc/29/58/16/209295816.db2.gz LYJBDAUZTHXKER-UHFFFAOYSA-N 0 0 387.823 4.127 50 5 GIBARN CCOC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1C(=O)OCC ZINC000001044025 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4.486 50 5 GIBARN COc1ccc(C2(CNC(=O)c3ccccc3[N+](=O)[O-])CCCCC2)cc1OC ZINC000000657679 209254855 /nfs/dbraw/zinc/25/48/55/209254855.db2.gz XXULNEHSMPPJAT-UHFFFAOYSA-N 0 0 398.459 4.244 50 5 GIBARN COc1cc2c(cc1OC)C(c1ccc(-c3cccc([N+](=O)[O-])c3)o1)=NCC2 ZINC000001453174 209227099 /nfs/dbraw/zinc/22/70/99/209227099.db2.gz NHLPZGQQHRVIGF-UHFFFAOYSA-N 0 0 378.384 4.266 50 5 GIBARN Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]1[N+](=O)[O-] ZINC000239284716 209213365 /nfs/dbraw/zinc/21/33/65/209213365.db2.gz BYFACTYMSQYNAL-FGYAAKKASA-N 0 0 383.448 4.006 50 5 GIBARN COc1ccc2cc(-c3c4c[nH]nc4nc4c5ccc(O)cc5oc43)c(=O)[nH]c2c1 ZINC000217743874 209184959 /nfs/dbraw/zinc/18/49/59/209184959.db2.gz BUSZBMREXZVLLN-UHFFFAOYSA-N 0 0 398.378 4.080 50 5 GIBARN O=C(Nc1nc(-c2cccc(Br)c2)c[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000225468043 211899143 /nfs/dbraw/zinc/89/91/43/211899143.db2.gz NSAARRHUHBAETJ-UHFFFAOYSA-N 0 0 393.222 4.061 50 5 GIBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1csc(COc2ccc(F)cc2)n1 ZINC000012907770 211694097 /nfs/dbraw/zinc/69/40/97/211694097.db2.gz FCUQLZIRYLWIEX-UHFFFAOYSA-N 0 0 391.355 4.161 50 5 GIBARN COc1ccc(NC(=O)c2cc(Br)ccc2Cl)c([N+](=O)[O-])c1 ZINC000005059945 211623769 /nfs/dbraw/zinc/62/37/69/211623769.db2.gz CUXIKNHTPAMWFE-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000005603703 211570615 /nfs/dbraw/zinc/57/06/15/211570615.db2.gz QANZHNQTBGIOLK-UHFFFAOYSA-N 0 0 392.419 4.224 50 5 GIBARN O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc(C2CCCCC2)cc1 ZINC000004412108 211546097 /nfs/dbraw/zinc/54/60/97/211546097.db2.gz FOYRFWGLEDUNSQ-UHFFFAOYSA-N 0 0 391.427 4.235 50 5 GIBARN CC[C@H](C)[C@H](NC(=O)c1ccc(C)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277253 211329926 /nfs/dbraw/zinc/32/99/26/211329926.db2.gz PBLHRQJQAMRNJG-KSSFIOAISA-N 0 0 394.431 4.470 50 5 GIBARN O=[N+]([O-])c1ccc(NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c2ncccc12 ZINC000095377629 211229757 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GIBARN Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3c(C)cccc3[N+](=O)[O-])o2)c1 ZINC000007159830 570806400 /nfs/dbraw/zinc/80/64/00/570806400.db2.gz SBNPIHLFDASKTC-UHFFFAOYSA-N 0 0 398.444 4.301 50 5 GIBARN C[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000005966170 570809589 /nfs/dbraw/zinc/80/95/89/570809589.db2.gz TZLCNTDIQIOUNN-VIFPVBQESA-N 0 0 383.187 4.086 50 5 GIBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OC(F)F ZINC000005687633 570809835 /nfs/dbraw/zinc/80/98/35/570809835.db2.gz PPGZIAFIWGHAOJ-UHFFFAOYSA-N 0 0 379.363 4.295 50 5 GIBARN CCCNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000004660646 570810740 /nfs/dbraw/zinc/81/07/40/570810740.db2.gz UMJZQBKCKQHJNG-UHFFFAOYSA-N 0 0 381.476 4.194 50 5 GIBARN O=C1[C@H]2[C@H]3C=C[C@H](C3=C3CCCCC3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000004664299 570811627 /nfs/dbraw/zinc/81/16/27/570811627.db2.gz YRDPOYBSICWRKN-FTUNRGFVSA-N 0 0 398.846 4.430 50 5 GIBARN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)[C@@H](C)CC)cc([N+](=O)[O-])c1 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CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000004740451 570906323 /nfs/dbraw/zinc/90/63/23/570906323.db2.gz IDUULWUKMLKUDN-UHFFFAOYSA-N 0 0 385.420 4.230 50 5 GIBARN O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004032692 570918523 /nfs/dbraw/zinc/91/85/23/570918523.db2.gz XBJIOEWUDKVCQA-UHFFFAOYSA-N 0 0 388.836 4.165 50 5 GIBARN CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000004078438 570930747 /nfs/dbraw/zinc/93/07/47/570930747.db2.gz AMEBWWMVLYPMLH-UHFFFAOYSA-N 0 0 398.488 4.191 50 5 GIBARN CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc2sc3ccccc3n2c1=S ZINC000032926882 570938553 /nfs/dbraw/zinc/93/85/53/570938553.db2.gz XMBVUNPXXXJNNO-UHFFFAOYSA-N 0 0 399.501 4.468 50 5 GIBARN COc1cc2nc(SCc3cc([N+](=O)[O-])ccc3Cl)[nH]c2cc1OC ZINC000004782805 570986119 /nfs/dbraw/zinc/98/61/19/570986119.db2.gz OELFLZXJBNZFDH-UHFFFAOYSA-N 0 0 379.825 4.434 50 5 GIBARN Cc1ccc(OCc2nc(CC(=O)Nc3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000012746002 570989103 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CCCCCC(=O)N[C@H](Oc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl ZINC000003018961 817411498 /nfs/dbraw/zinc/41/14/98/817411498.db2.gz HCXZDNDZAQEYFU-CYBMUJFWSA-N 0 0 383.659 4.366 50 5 GIBARN O=C1N[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)Nc2ccccc21 ZINC000003107827 817417724 /nfs/dbraw/zinc/41/77/24/817417724.db2.gz LGRAUNPKMPPZRE-FQEVSTJZSA-N 0 0 375.384 4.028 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)s1 ZINC000003339999 817438713 /nfs/dbraw/zinc/43/87/13/817438713.db2.gz WTCATSHESOIQJH-UHFFFAOYSA-N 0 0 376.615 4.334 50 5 GIBARN C[C@@H]1CCc2c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)csc2C1 ZINC000003334701 817438937 /nfs/dbraw/zinc/43/89/37/817438937.db2.gz VVHDMZZVSVHYPC-LLVKDONJSA-N 0 0 389.429 4.005 50 5 GIBARN Cc1cc(C)n2c(nnc2SCc2cc(=O)oc3ccc4ccccc4c23)n1 ZINC000003354973 817441804 /nfs/dbraw/zinc/44/18/04/817441804.db2.gz JMTMKMNBBKCFDP-UHFFFAOYSA-N 0 0 388.452 4.293 50 5 GIBARN O=[N+]([O-])c1ccc(-c2ccc(Nc3ccc4nonc4c3[N+](=O)[O-])cc2)cc1 ZINC000003879042 817494967 /nfs/dbraw/zinc/49/49/67/817494967.db2.gz MJDHUXYFFWLEQX-UHFFFAOYSA-N 0 0 377.316 4.450 50 5 GIBARN O=C(COc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000004040803 817498850 /nfs/dbraw/zinc/49/88/50/817498850.db2.gz SROHTTLUOIXESK-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-] ZINC000004149971 817506885 /nfs/dbraw/zinc/50/68/85/817506885.db2.gz WKUGCUMNEYRUDV-UHFFFAOYSA-N 0 0 386.429 4.329 50 5 GIBARN CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 ZINC000004188617 817509350 /nfs/dbraw/zinc/50/93/50/817509350.db2.gz QYFDTSDZAAADIP-QGZVFWFLSA-N 0 0 396.491 4.073 50 5 GIBARN COC(=O)/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1 ZINC000006652411 817715565 /nfs/dbraw/zinc/71/55/65/817715565.db2.gz VVPBKUQWAPRYTH-VBKFSLOCSA-N 0 0 389.367 4.445 50 5 GIBARN C[C@@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007778242 817914086 /nfs/dbraw/zinc/91/40/86/817914086.db2.gz AZZPILFTUMVBDP-ALFMTBLISA-N 0 0 383.444 4.325 50 5 GIBARN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2c(c1)OCO2 ZINC000007889576 817952955 /nfs/dbraw/zinc/95/29/55/817952955.db2.gz BZGWLEJEYHFBJR-FQEVSTJZSA-N 0 0 389.367 4.095 50 5 GIBARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2cccc([N+](=O)[O-])c2)o1 ZINC000021712769 818729360 /nfs/dbraw/zinc/72/93/60/818729360.db2.gz BIGBEPQKURZKHB-UHFFFAOYSA-N 0 0 378.344 4.187 50 5 GIBARN Cc1ccc(C2=N/C(=C\c3ccc(OC(F)(F)F)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000027519222 820255943 /nfs/dbraw/zinc/25/59/43/820255943.db2.gz HBNARKZHKKDJAB-ZSOIEALJSA-N 0 0 392.289 4.146 50 5 GIBARN O=c1c2ccccc2nc(-c2ccccc2F)n1Cc1cccc([N+](=O)[O-])c1 ZINC000027534342 820256440 /nfs/dbraw/zinc/25/64/40/820256440.db2.gz FEZJLAXRWKSBJV-UHFFFAOYSA-N 0 0 375.359 4.159 50 5 GIBARN Cc1cc(C)cc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)c1 ZINC000007596507 230856654 /nfs/dbraw/zinc/85/66/54/230856654.db2.gz IMFMZPRKFYZZQD-UHFFFAOYSA-N 0 0 392.415 4.066 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(Br)cc2Cl)nc1 ZINC000017079166 210202986 /nfs/dbraw/zinc/20/29/86/210202986.db2.gz NGBOQDIVGINPBN-UHFFFAOYSA-N 0 0 387.646 4.215 50 5 GIBARN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1c(C)noc1C ZINC000015389834 210156984 /nfs/dbraw/zinc/15/69/84/210156984.db2.gz WGUOQFBAVPSFQR-UHFFFAOYSA-N 0 0 397.387 4.040 50 5 GIBARN C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000015128392 210154128 /nfs/dbraw/zinc/15/41/28/210154128.db2.gz IONYYNBLGDCDBN-VIFPVBQESA-N 0 0 389.260 4.478 50 5 GIBARN O=C(Nc1cccc2ncccc21)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000014791788 210129949 /nfs/dbraw/zinc/12/99/49/210129949.db2.gz QZYNTQVTBOGUDD-UHFFFAOYSA-N 0 0 376.416 4.386 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000014396380 210115286 /nfs/dbraw/zinc/11/52/86/210115286.db2.gz HZSOVTOLOJKWOZ-UHFFFAOYSA-N 0 0 394.758 4.376 50 5 GIBARN O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1Oc1cccc(F)c1 ZINC000014244675 210111728 /nfs/dbraw/zinc/11/17/28/210111728.db2.gz PBWKQWORYUFDMS-UHFFFAOYSA-N 0 0 394.424 4.091 50 5 GIBARN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000013942786 210096507 /nfs/dbraw/zinc/09/65/07/210096507.db2.gz XCFMWXLBLMCKJP-ZSOIEALJSA-N 0 0 386.410 4.143 50 5 GIBARN O=C1S/C(=C/c2cc(Cl)ccc2O)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000013894737 210094970 /nfs/dbraw/zinc/09/49/70/210094970.db2.gz BBRNHDJYYOJNPV-OVCLIPMQSA-N 0 0 390.804 4.190 50 5 GIBARN O=C1OC(c2ccc(Br)cc2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013799159 210091644 /nfs/dbraw/zinc/09/16/44/210091644.db2.gz OMRIQJBFBNZLNW-HMFGGZQFSA-N 0 0 399.200 4.258 50 5 GIBARN Cc1cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c([N+](=O)[O-])cc1C ZINC000012996720 210044037 /nfs/dbraw/zinc/04/40/37/210044037.db2.gz ALCHCUXUFBEWCV-LBPRGKRZSA-N 0 0 386.379 4.058 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cs1 ZINC000012979433 210037648 /nfs/dbraw/zinc/03/76/48/210037648.db2.gz UROMSBGXHOILFI-UHFFFAOYSA-N 0 0 381.457 4.308 50 5 GIBARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cs2)cc1 ZINC000012975021 210037264 /nfs/dbraw/zinc/03/72/64/210037264.db2.gz QOVNLTUIOHZMBF-UHFFFAOYSA-N 0 0 397.456 4.428 50 5 GIBARN Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000012774833 210007456 /nfs/dbraw/zinc/00/74/56/210007456.db2.gz NJEUHAHCKWJEQP-SFHVURJKSA-N 0 0 387.867 4.124 50 5 GIBARN CCn1ncc2c1nc(-c1cccs1)cc2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012802129 210011743 /nfs/dbraw/zinc/01/17/43/210011743.db2.gz SUNLXYOASXWGBQ-UHFFFAOYSA-N 0 0 393.428 4.340 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000010376387 209858574 /nfs/dbraw/zinc/85/85/74/209858574.db2.gz ZCWGDAWFGOHBBU-UHFFFAOYSA-N 0 0 388.786 4.050 50 5 GIBARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2[N+](=O)[O-])o1 ZINC000009721608 209843688 /nfs/dbraw/zinc/84/36/88/209843688.db2.gz PBRCTSFYPVFBLY-UHFFFAOYSA-N 0 0 378.344 4.187 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)c1C ZINC000008755587 209799814 /nfs/dbraw/zinc/79/98/14/209799814.db2.gz VDIKZEOTTCJTBX-NSHDSACASA-N 0 0 386.379 4.058 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000008313472 209772765 /nfs/dbraw/zinc/77/27/65/209772765.db2.gz JHZQZKGFBNFVRS-MRXNPFEDSA-N 0 0 398.459 4.296 50 5 GIBARN CCOC(=O)c1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc([N+](=O)[O-])c1 ZINC000008239589 209769653 /nfs/dbraw/zinc/76/96/53/209769653.db2.gz NYQLASWIMPZDPA-GFCCVEGCSA-N 0 0 382.372 4.009 50 5 GIBARN O=C(Nc1ccccc1C(F)(F)F)c1cc([N+](=O)[O-])nn1Cc1ccccc1 ZINC000005873127 209619991 /nfs/dbraw/zinc/61/99/91/209619991.db2.gz CVGNQIAFYLQWSS-UHFFFAOYSA-N 0 0 390.321 4.111 50 5 GIBARN O=[N+]([O-])c1cccc(/C=C2\CCC[C@H]3C2=NN[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000005042921 209561663 /nfs/dbraw/zinc/56/16/63/209561663.db2.gz RGRTYFKGIAIUIH-IWHMKKCGSA-N 0 0 378.388 4.387 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1Br ZINC000004838633 209532823 /nfs/dbraw/zinc/53/28/23/209532823.db2.gz WEAKCAAZXYNHPC-UHFFFAOYSA-N 0 0 379.210 4.317 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1O ZINC000004828584 209530462 /nfs/dbraw/zinc/53/04/62/209530462.db2.gz KQMDWGFHFASDQZ-OUKQBFOZSA-N 0 0 385.379 4.170 50 5 GIBARN COc1cccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3cccc(OC)c3)n2)c1 ZINC000004455806 209488401 /nfs/dbraw/zinc/48/84/01/209488401.db2.gz IZKDSSXDJUOGEM-UHFFFAOYSA-N 0 0 381.392 4.198 50 5 GIBARN COc1cccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c1 ZINC000004419940 209486451 /nfs/dbraw/zinc/48/64/51/209486451.db2.gz KRCJGFVCHHFMJX-BUHFOSPRSA-N 0 0 399.406 4.473 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(Br)c1 ZINC000003394807 209432275 /nfs/dbraw/zinc/43/22/75/209432275.db2.gz BAGGXAJLRCXTCS-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NCc1ccc(Cl)cc1 ZINC000003016370 209404713 /nfs/dbraw/zinc/40/47/13/209404713.db2.gz PBMBFQQOOOVUJV-UHFFFAOYSA-N 0 0 396.805 4.372 50 5 GIBARN CC(=O)c1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)c1 ZINC000002842935 209390105 /nfs/dbraw/zinc/39/01/05/209390105.db2.gz UBTQBRLYCMWECL-UHFFFAOYSA-N 0 0 387.442 4.138 50 5 GIBARN CCCNC(=O)c1cc(Cl)cc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002838948 209390186 /nfs/dbraw/zinc/39/01/86/209390186.db2.gz GGFZMMYWUZZTIM-UHFFFAOYSA-N 0 0 396.230 4.294 50 5 GIBARN CC[C@H]1CCc2c(sc3ncn4nc(-c5ccc([N+](=O)[O-])cc5)nc4c23)C1 ZINC000002803041 209386779 /nfs/dbraw/zinc/38/67/79/209386779.db2.gz INLPVWOFSGWMGU-NSHDSACASA-N 0 0 379.445 4.429 50 5 GIBARN CC(C)Sc1nc2c3ccccc3[nH]c2c(=O)n1-c1ccc([N+](=O)[O-])cc1 ZINC000002720979 209379479 /nfs/dbraw/zinc/37/94/79/209379479.db2.gz CEMWSMGQCYSCJT-UHFFFAOYSA-N 0 0 380.429 4.276 50 5 GIBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000002284992 209354658 /nfs/dbraw/zinc/35/46/58/209354658.db2.gz BBGBNKKMSUCABD-UHFFFAOYSA-N 0 0 383.455 4.392 50 5 GIBARN CCCCn1c(=O)nc2n(-c3ccc(F)cc3)c3cccc(Cl)c3cc-2c1=O ZINC000002220528 209350681 /nfs/dbraw/zinc/35/06/81/209350681.db2.gz LZPOHFHRHVGNSQ-UHFFFAOYSA-N 0 0 397.837 4.245 50 5 GIBARN Cc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001515954 209332650 /nfs/dbraw/zinc/33/26/50/209332650.db2.gz GCTVBGNGSOGTQA-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN CCOc1ccccc1/C=C1\SC(=O)N(CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000002120205 209347751 /nfs/dbraw/zinc/34/77/51/209347751.db2.gz CHFKLVNQQGNQJI-YVLHZVERSA-N 0 0 399.428 4.099 50 5 GIBARN CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000002062782 209344587 /nfs/dbraw/zinc/34/45/87/209344587.db2.gz FJNXMHWOKMWNSQ-UHFFFAOYSA-N 0 0 396.399 4.133 50 5 GIBARN O=C(Oc1c(=O)c2ccccc2oc1-c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000001972154 209343635 /nfs/dbraw/zinc/34/36/35/209343635.db2.gz AUEXVAUPULWANZ-UHFFFAOYSA-N 0 0 377.308 4.180 50 5 GIBARN Cc1c(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000001800785 209340346 /nfs/dbraw/zinc/34/03/46/209340346.db2.gz ROQYJJWFGHAUSK-CYBMUJFWSA-N 0 0 397.427 4.073 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000010327784 209330579 /nfs/dbraw/zinc/33/05/79/209330579.db2.gz QNITYUSTHLRKHU-UHFFFAOYSA-N 0 0 391.383 4.273 50 5 GIBARN O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000001452523 209329214 /nfs/dbraw/zinc/32/92/14/209329214.db2.gz PBVGPIQFEOUUGP-AWEZNQCLSA-N 0 0 388.638 4.133 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(C)=O)cc2s1 ZINC000001437025 209328545 /nfs/dbraw/zinc/32/85/45/209328545.db2.gz HNBBRKMPFBEXBG-UHFFFAOYSA-N 0 0 389.458 4.464 50 5 GIBARN CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000001416673 209327381 /nfs/dbraw/zinc/32/73/81/209327381.db2.gz BJKMGOHISYHCTI-GZTJUZNOSA-N 0 0 384.413 4.230 50 5 GIBARN Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Br)c1 ZINC000001218864 209316109 /nfs/dbraw/zinc/31/61/09/209316109.db2.gz DFEDCMLIQFFMDM-UHFFFAOYSA-N 0 0 390.193 4.295 50 5 GIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1ccccc1 ZINC000001210292 209315047 /nfs/dbraw/zinc/31/50/47/209315047.db2.gz DZUIVAYKFGLHSW-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(Br)cc1Cl ZINC000001169027 209310648 /nfs/dbraw/zinc/31/06/48/209310648.db2.gz FQJAYPXZFFRLRD-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000001175996 209310390 /nfs/dbraw/zinc/31/03/90/209310390.db2.gz PXCBCKJFXJQOBM-UHFFFAOYSA-N 0 0 375.793 4.121 50 5 GIBARN Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000001172530 209310467 /nfs/dbraw/zinc/31/04/67/209310467.db2.gz MULOUNYPXPEMLQ-UHFFFAOYSA-N 0 0 384.244 4.337 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3 ZINC000001165592 209308618 /nfs/dbraw/zinc/30/86/18/209308618.db2.gz LDBSSNOJCHZFDC-UHFFFAOYSA-N 0 0 395.411 4.476 50 5 GIBARN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)Cc1ccccc1 ZINC000001145399 209306722 /nfs/dbraw/zinc/30/67/22/209306722.db2.gz GIVGLXJEDUSXTE-UHFFFAOYSA-N 0 0 389.411 4.337 50 5 GIBARN O=C(Nc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccco1 ZINC000001146374 209306263 /nfs/dbraw/zinc/30/62/63/209306263.db2.gz YYDLGMIOOUKGLN-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN CCOc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000001117244 209302222 /nfs/dbraw/zinc/30/22/22/209302222.db2.gz GYGLWNRDVGEHBV-UHFFFAOYSA-N 0 0 389.458 4.334 50 5 GIBARN O=C(c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000001110384 209300781 /nfs/dbraw/zinc/30/07/81/209300781.db2.gz DAKCNARHNUPWMQ-UHFFFAOYSA-N 0 0 376.416 4.074 50 5 GIBARN CCc1cccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000000956485 209283985 /nfs/dbraw/zinc/28/39/85/209283985.db2.gz YKNQPTWTBJRLDQ-UHFFFAOYSA-N 0 0 383.429 4.298 50 5 GIBARN COc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br ZINC000000943530 209282103 /nfs/dbraw/zinc/28/21/03/209282103.db2.gz JNAYZXCKOJAVKH-SOFGYWHQSA-N 0 0 377.194 4.018 50 5 GIBARN Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C ZINC000000952977 209283060 /nfs/dbraw/zinc/28/30/60/209283060.db2.gz ZVKQQLQTBIEXSC-UHFFFAOYSA-N 0 0 376.441 4.279 50 5 GIBARN Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 ZINC000245237989 209214807 /nfs/dbraw/zinc/21/48/07/209214807.db2.gz BOQWUPHUSDEKCJ-FGYAAKKASA-N 0 0 383.448 4.006 50 5 aggregator GIBARN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br ZINC000005173396 211622427 /nfs/dbraw/zinc/62/24/27/211622427.db2.gz PBGSBOMACBWYSC-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN COc1ccc(Br)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001138000 211610123 /nfs/dbraw/zinc/61/01/23/211610123.db2.gz WEHKQMJQHDTRCD-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000008009556 211592348 /nfs/dbraw/zinc/59/23/48/211592348.db2.gz YPBFPASXJQNRQW-OUKQBFOZSA-N 0 0 390.443 4.069 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2nnc3ccc(-c4ccc(F)cc4)nn32)cc1 ZINC000005168063 211561622 /nfs/dbraw/zinc/56/16/22/211561622.db2.gz KBLHPTLTXCTRJG-UHFFFAOYSA-N 0 0 381.392 4.131 50 5 GIBARN Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CSC3)c1 ZINC000004175984 211535947 /nfs/dbraw/zinc/53/59/47/211535947.db2.gz MESFMCSIFAYWEI-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN=C1SCc1cccc(F)c1 ZINC000004119889 211530133 /nfs/dbraw/zinc/53/01/33/211530133.db2.gz PZWTXDOWVZGDKI-UHFFFAOYSA-N 0 0 393.827 4.133 50 5 GIBARN Cn1c2ccc(Cl)cc2s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000001507573 211509482 /nfs/dbraw/zinc/50/94/82/211509482.db2.gz CLMWPSRCIOGHHR-SDXDJHTJSA-N 0 0 382.228 4.196 50 5 GIBARN O=C(C1CCC1)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CCCCC1 ZINC000096277920 211330056 /nfs/dbraw/zinc/33/00/56/211330056.db2.gz LZOVZJKSBAOSNQ-UHFFFAOYSA-N 0 0 398.463 4.149 50 5 GIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)CC(C)(C)C ZINC000096277227 211329588 /nfs/dbraw/zinc/32/95/88/211329588.db2.gz CLNGSLBSTQAHHI-CQSZACIVSA-N 0 0 388.468 4.251 50 5 GIBARN CCn1nc(C(=O)Nc2cccc(C)c2)c(C)c1Oc1ccccc1[N+](=O)[O-] ZINC000096203726 211318179 /nfs/dbraw/zinc/31/81/79/211318179.db2.gz XEODWSOEBRDZAU-UHFFFAOYSA-N 0 0 380.404 4.473 50 5 GIBARN O=[N+]([O-])c1cccc(-c2noc(CNc3ccc(Br)cc3)n2)c1 ZINC000095948924 211285053 /nfs/dbraw/zinc/28/50/53/211285053.db2.gz MHFWWSWOPFNIPF-UHFFFAOYSA-N 0 0 375.182 4.019 50 5 GIBARN Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@@H]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000095467390 211245842 /nfs/dbraw/zinc/24/58/42/211245842.db2.gz TWTKKOZLBUIZES-DOTOQJQBSA-N 0 0 396.491 4.042 50 5 GIBARN Cc1nn(C)c(C)c1[C@H]1CC(c2cccc(O)c2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000071785133 211062515 /nfs/dbraw/zinc/06/25/15/211062515.db2.gz GRVKQXZVPPKUES-HXUWFJFHSA-N 0 0 391.431 4.006 50 5 GIBARN CC[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000058218723 210913803 /nfs/dbraw/zinc/91/38/03/210913803.db2.gz CQHAHWCNIHGRKL-OFGIBPIPSA-N 0 0 392.521 4.009 50 5 GIBARN Cc1nn(CC(C)C)c2sc(C(=O)N3CCc4ccc([N+](=O)[O-])cc43)cc12 ZINC000048303996 210852716 /nfs/dbraw/zinc/85/27/16/210852716.db2.gz MXBGIIVTRMWZRT-UHFFFAOYSA-N 0 0 384.461 4.173 50 5 GIBARN O=c1c2cc3c(ccn(C4CCCC4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398829 210786535 /nfs/dbraw/zinc/78/65/35/210786535.db2.gz SKCNINIIHZAOGG-UHFFFAOYSA-N 0 0 385.467 4.069 50 5 GIBARN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000030314355 210554122 /nfs/dbraw/zinc/55/41/22/210554122.db2.gz VMPPAWURMPSZTC-DHZHZOJOSA-N 0 0 380.322 4.165 50 5 GIBARN COc1cc(C)ccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000040090796 210524564 /nfs/dbraw/zinc/52/45/64/210524564.db2.gz CTXOICZWUFHUQG-UHFFFAOYSA-N 0 0 379.372 4.351 50 5 GIBARN Cc1cccc(C)c1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000024559687 210466400 /nfs/dbraw/zinc/46/64/00/210466400.db2.gz MERUTOYVUDCKES-ICSRJNTNSA-N 0 0 379.460 4.382 50 5 GIBARN COc1cc(OC)c(OC)cc1CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000022815328 210424502 /nfs/dbraw/zinc/42/45/02/210424502.db2.gz BGKZMZPJEQLTKH-UHFFFAOYSA-N 0 0 386.326 4.252 50 5 GIBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@@H]1c1ccc(Cl)cc1Cl ZINC000020946067 210371313 /nfs/dbraw/zinc/37/13/13/210371313.db2.gz ZXXZZQRLKSNZSQ-MRXNPFEDSA-N 0 0 380.187 4.141 50 5 GIBARN CCc1sc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1Br ZINC000004749785 220761674 /nfs/dbraw/zinc/76/16/74/220761674.db2.gz YUAJETZPVWOWSU-UHFFFAOYSA-N 0 0 385.239 4.242 50 5 GIBARN COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)c1 ZINC000005031364 220815584 /nfs/dbraw/zinc/81/55/84/220815584.db2.gz AGEZPLMSYNHVPN-UHFFFAOYSA-N 0 0 380.408 4.080 50 5 GIBARN Cc1nn(Cc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)c(C)c1[N+](=O)[O-] ZINC000006550810 220940621 /nfs/dbraw/zinc/94/06/21/220940621.db2.gz BNGQUAOPKBGTIR-UHFFFAOYSA-N 0 0 398.850 4.040 50 5 GIBARN CCOC(=O)c1ccnc(N2CC[C@@H](C)C[C@H]2c2ccc(CC)o2)c1[N+](=O)[O-] ZINC000089286665 136175447 /nfs/dbraw/zinc/17/54/47/136175447.db2.gz JKPMMQUZBUDIOZ-CJNGLKHVSA-N 0 0 387.436 4.300 50 5 GIBARN O=C1N[C@@H]2[C@@H](Cc3cccc([N+](=O)[O-])c3)c3ccccc3CN2c2ccccc21 ZINC000001751955 136193341 /nfs/dbraw/zinc/19/33/41/136193341.db2.gz OHYRYMBSWUTISU-UNMCSNQZSA-N 0 0 385.423 4.011 50 5 GIBARN COc1ccc(C)cc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000007952367 136195334 /nfs/dbraw/zinc/19/53/34/136195334.db2.gz VDOGRIFAWOUIQQ-HNNXBMFYSA-N 0 0 383.448 4.400 50 5 GIBARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000008185911 527113934 /nfs/dbraw/zinc/11/39/34/527113934.db2.gz BHJOFJWFQJDQNJ-OAHLLOKOSA-N 0 0 376.796 4.058 50 5 GIBARN Cc1nccn1C[C@H](C)CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000048362044 570244577 /nfs/dbraw/zinc/24/45/77/570244577.db2.gz HSFKHFMEXSLCMO-OAHLLOKOSA-N 0 0 378.432 4.079 50 5 GIBARN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cs/c2=N\c2ncccn2)cc1 ZINC000071785266 570272078 /nfs/dbraw/zinc/27/20/78/570272078.db2.gz ZBNAKECKWWVLNQ-QOCHGBHMSA-N 0 0 375.413 4.136 50 5 GIBARN CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000024650217 570277215 /nfs/dbraw/zinc/27/72/15/570277215.db2.gz UTLXBSQFYZWFLH-UHFFFAOYSA-N 0 0 389.839 4.048 50 5 GIBARN COc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1OCCC(C)C ZINC000024771686 570291970 /nfs/dbraw/zinc/29/19/70/570291970.db2.gz MTUQIZBTIMLDNS-UHFFFAOYSA-N 0 0 384.432 4.231 50 5 GIBARN Cc1c(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cccc1[N+](=O)[O-] ZINC000004872705 570351890 /nfs/dbraw/zinc/35/18/90/570351890.db2.gz BOFYPVCXOIFNQP-UHFFFAOYSA-N 0 0 388.836 4.251 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1-n1c(=O)c2ccccc2nc1/C=C/c1ccc(O)cc1 ZINC000004917320 570362860 /nfs/dbraw/zinc/36/28/60/570362860.db2.gz RKCIYWLZWPIDPE-UKTHLTGXSA-N 0 0 399.406 4.478 50 5 GIBARN O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000820817 570375193 /nfs/dbraw/zinc/37/51/93/570375193.db2.gz XJYFWLUVEHHZQL-UHFFFAOYSA-N 0 0 388.836 4.137 50 5 GIBARN O=C(Nc1cccc(Cl)c1)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004983371 570388960 /nfs/dbraw/zinc/38/89/60/570388960.db2.gz HFKOVQXZFGUXMP-OAHLLOKOSA-N 0 0 375.812 4.091 50 5 GIBARN COc1cccc2ccc(/C=C/c3ccc(OC(C)=O)c(OC)c3[N+](=O)[O-])nc21 ZINC000004998382 570391215 /nfs/dbraw/zinc/39/12/15/570391215.db2.gz NPNIIPQOOKFRRG-DHZHZOJOSA-N 0 0 394.383 4.256 50 5 GIBARN Nc1nc(NCc2ccc(Cl)cc2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] ZINC000005025790 570399490 /nfs/dbraw/zinc/39/94/90/570399490.db2.gz FSFMHUPTHRILAH-UHFFFAOYSA-N 0 0 388.790 4.115 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(C/C=C/c2ccccc2)CC1 ZINC000005073948 570411255 /nfs/dbraw/zinc/41/12/55/570411255.db2.gz GWNCXOSJKQXLGZ-QPJJXVBHSA-N 0 0 391.393 4.449 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc(OC(F)F)cc1 ZINC000006537368 570470230 /nfs/dbraw/zinc/47/02/30/570470230.db2.gz CXKFEHFVNNRYGV-UHFFFAOYSA-N 0 0 379.344 4.048 50 5 GIBARN COc1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000006620096 570506009 /nfs/dbraw/zinc/50/60/09/570506009.db2.gz QNMHSGYWDQBCOV-UHFFFAOYSA-N 0 0 391.383 4.478 50 5 GIBARN Cc1ccccc1[C@H]1N[C@@H](c2ccccc2C)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]1[N+](=O)[O-] ZINC000033928498 570506963 /nfs/dbraw/zinc/50/69/63/570506963.db2.gz BYFACTYMSQYNAL-JVSBHGNQSA-N 0 0 383.448 4.006 50 5 GIBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 ZINC000006627628 570510319 /nfs/dbraw/zinc/51/03/19/570510319.db2.gz NUTFLUDDBWQGIK-UHFFFAOYSA-N 0 0 381.715 4.035 50 5 GIBARN COc1ccc(OCC(=O)Nc2ccc3c(c2)oc2c(F)cccc2c3=O)cc1 ZINC000006661012 570524843 /nfs/dbraw/zinc/52/48/43/570524843.db2.gz CVBNHHXDMWJNGF-UHFFFAOYSA-N 0 0 393.370 4.111 50 5 GIBARN COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 ZINC000005257336 570527417 /nfs/dbraw/zinc/52/74/17/570527417.db2.gz WCXUPAPZHMTLRC-UHFFFAOYSA-N 0 0 376.368 4.087 50 5 GIBARN COc1ccccc1C1CCN(c2ccc(C3OCCCO3)cc2[N+](=O)[O-])CC1 ZINC000004336182 570574090 /nfs/dbraw/zinc/57/40/90/570574090.db2.gz FPESWDGHPGQNAR-UHFFFAOYSA-N 0 0 398.459 4.423 50 5 GIBARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1[N+](=O)[O-] ZINC000005417295 570588935 /nfs/dbraw/zinc/58/89/35/570588935.db2.gz ZIBTVVBPURVVMQ-UHFFFAOYSA-N 0 0 378.432 4.326 50 5 GIBARN Cc1ccc(-n2c(-c3ccccc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 ZINC000005427234 570590264 /nfs/dbraw/zinc/59/02/64/570590264.db2.gz FSKDDYKTLYNPLC-UHFFFAOYSA-N 0 0 393.446 4.213 50 5 GIBARN Cc1ccc(-n2c(=O)c3c(=O)c4ccccc4n(C)c3nc2-c2cccs2)cc1 ZINC000005450904 570599128 /nfs/dbraw/zinc/59/91/28/570599128.db2.gz RGHSDDWLSXOWMT-UHFFFAOYSA-N 0 0 399.475 4.275 50 5 GIBARN CCN(C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C)c1 ZINC000033004113 570618177 /nfs/dbraw/zinc/61/81/77/570618177.db2.gz OAZATQDNTFSOTJ-UHFFFAOYSA-N 0 0 398.444 4.098 50 5 GIBARN Cc1sc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C(=O)OC(C)C)c1C ZINC000005533596 570628030 /nfs/dbraw/zinc/62/80/30/570628030.db2.gz XTRJAXWWRSBCGC-CMDGGOBGSA-N 0 0 388.445 4.490 50 5 GIBARN c1nc2c3c4c(sc3n3c(SCc5ccccc5)nnc3n2n1)CCCC4 ZINC000005557232 570640239 /nfs/dbraw/zinc/64/02/39/570640239.db2.gz MVRUDEPVCHWIRD-UHFFFAOYSA-N 0 0 392.513 4.158 50 5 GIBARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006852677 570649489 /nfs/dbraw/zinc/64/94/89/570649489.db2.gz CBJQLCDMMWZZRR-JTQLQIEISA-N 0 0 398.448 4.302 50 5 GIBARN CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000005659008 570680546 /nfs/dbraw/zinc/68/05/46/570680546.db2.gz LOEQEEBRIMQKRH-UHFFFAOYSA-N 0 0 399.447 4.219 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1SCC(F)(F)F ZINC000025057228 570706865 /nfs/dbraw/zinc/70/68/65/570706865.db2.gz UBAFIVSQYFURMD-UHFFFAOYSA-N 0 0 386.351 4.267 50 5 GIBARN COc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c([N+](=O)[O-])c1 ZINC000004368228 570716593 /nfs/dbraw/zinc/71/65/93/570716593.db2.gz RLKFCWXTMAXTNW-GFCCVEGCSA-N 0 0 378.812 4.280 50 5 GIBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 ZINC000004372501 570719402 /nfs/dbraw/zinc/71/94/02/570719402.db2.gz AQNMCDPYPROWTM-ACESQOTJSA-N 0 0 397.434 4.071 50 5 GIBARN O=C(NCCNc1cc(Cl)ccc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl ZINC000004413124 570748981 /nfs/dbraw/zinc/74/89/81/570748981.db2.gz YBECYHROGNRHHU-UHFFFAOYSA-N 0 0 390.173 4.022 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccc(C(=O)Oc2ccccc2)cc1 ZINC000001130278 570755822 /nfs/dbraw/zinc/75/58/22/570755822.db2.gz BOORLOGTRZWMMV-UHFFFAOYSA-N 0 0 391.379 4.100 50 5 GIBARN O=C(Nc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000001133128 570756332 /nfs/dbraw/zinc/75/63/32/570756332.db2.gz RGAZHYHBYKORJG-UHFFFAOYSA-N 0 0 379.347 4.239 50 5 GIBARN O=[N+]([O-])c1ccc(/C=C(/[C@H](O)c2ccc(Cl)cc2Cl)n2cncn2)cc1 ZINC000096558558 570759102 /nfs/dbraw/zinc/75/91/02/570759102.db2.gz UIDSFUGZWKBQGX-BOVGMKJQSA-N 0 0 391.214 4.225 50 5 GIBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NCc3cccs3)c12 ZINC000036618393 570759387 /nfs/dbraw/zinc/75/93/87/570759387.db2.gz AMZRIEPQGUPVGH-UHFFFAOYSA-N 0 0 394.412 4.098 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1cccc(O)c1 ZINC000004438113 570769026 /nfs/dbraw/zinc/76/90/26/570769026.db2.gz LARKDLKRSVJSAQ-VAWYXSNFSA-N 0 0 385.379 4.170 50 5 GIBARN CN(C)c1ccc(C(=O)c2ccccc2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000024368754 570774205 /nfs/dbraw/zinc/77/42/05/570774205.db2.gz MAZACJJMYQVTFY-UHFFFAOYSA-N 0 0 389.411 4.144 50 5 GIBARN Cc1cc(Cl)ccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000032777312 570799537 /nfs/dbraw/zinc/79/95/37/570799537.db2.gz CHFOJIRSSFHXSE-UHFFFAOYSA-N 0 0 377.809 4.429 50 5 GIBARN O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000004481984 570803846 /nfs/dbraw/zinc/80/38/46/570803846.db2.gz XXPZHLYXVDOURG-UHFFFAOYSA-N 0 0 385.335 4.204 50 5 GIBARN Cc1ccc(C2=N/C(=C\c3cccc(C(F)(F)F)c3)C(=O)O2)cc1[N+](=O)[O-] ZINC000004509403 570824264 /nfs/dbraw/zinc/82/42/64/570824264.db2.gz ZFQLUSQIVSMABP-ZSOIEALJSA-N 0 0 376.290 4.267 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000004689097 570828569 /nfs/dbraw/zinc/82/85/69/570828569.db2.gz WQQBDPQGJHTZKI-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN CN(C)/C=C1/c2cc([N+](=O)[O-])ccc2N(c2c(Cl)cccc2Cl)C1=O ZINC000033149752 570829038 /nfs/dbraw/zinc/82/90/38/570829038.db2.gz UGKRSBQRMLTIRT-XFXZXTDPSA-N 0 0 378.215 4.482 50 5 GIBARN O=C1CCC(=O)N1c1ccc(NCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000004684407 570830325 /nfs/dbraw/zinc/83/03/25/570830325.db2.gz SDTKABVOPFSVIF-UHFFFAOYSA-N 0 0 375.384 4.014 50 5 GIBARN C[C@@H](OC(=O)CCCNc1ccccc1[N+](=O)[O-])c1nnc(-c2ccccc2)o1 ZINC000007372480 570835091 /nfs/dbraw/zinc/83/50/91/570835091.db2.gz SKLVOLFLGNXZMK-CQSZACIVSA-N 0 0 396.403 4.141 50 5 GIBARN CSc1ccc(-c2nc(NC(C)=O)c3c(=O)oc4ccccc4c3n2)cc1 ZINC000013566730 570850010 /nfs/dbraw/zinc/85/00/10/570850010.db2.gz HOSGVXHGXKQEAM-UHFFFAOYSA-N 0 0 377.425 4.084 50 5 GIBARN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)Cc1ccccc1N1CCCCC1 ZINC000012554973 570858033 /nfs/dbraw/zinc/85/80/33/570858033.db2.gz OEMMCURYZBUYOM-QGZVFWFLSA-N 0 0 396.491 4.044 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000004724244 570862784 /nfs/dbraw/zinc/86/27/84/570862784.db2.gz BLRVXQOXPPSIQJ-UHFFFAOYSA-N 0 0 396.468 4.294 50 5 GIBARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1C ZINC000004560369 570864402 /nfs/dbraw/zinc/86/44/02/570864402.db2.gz AKEPBUSLLMKACP-UHFFFAOYSA-N 0 0 388.474 4.256 50 5 GIBARN CSc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000012578770 570876829 /nfs/dbraw/zinc/87/68/29/570876829.db2.gz XICYQFOOXUXQDX-OAHLLOKOSA-N 0 0 382.445 4.170 50 5 GIBARN Cc1c(CC(=O)Nc2ccccc2-c2ncc3n2CCCC3)cccc1[N+](=O)[O-] ZINC000240626813 570915780 /nfs/dbraw/zinc/91/57/80/570915780.db2.gz HJFPQUOKKYYFHJ-UHFFFAOYSA-N 0 0 390.443 4.284 50 5 GIBARN C[C@H](Nc1ccc(C(=O)N(C)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1 ZINC000052978931 570959260 /nfs/dbraw/zinc/95/92/60/570959260.db2.gz PYHJVBAJRQTANX-HNNXBMFYSA-N 0 0 376.416 4.440 50 5 GIBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cc2ccccc2oc1=O ZINC000004167577 570970998 /nfs/dbraw/zinc/97/09/98/570970998.db2.gz PHBCVOOJYCSPKZ-UHFFFAOYSA-N 0 0 399.409 4.139 50 5 GIBARN Cc1c(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000025835720 570975144 /nfs/dbraw/zinc/97/51/44/570975144.db2.gz COLVDSSLTLYPAU-ZDUSSCGKSA-N 0 0 382.395 4.061 50 5 GIBARN O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC(c2c[nH]c3ccccc32)CC1 ZINC000011377040 570994899 /nfs/dbraw/zinc/99/48/99/570994899.db2.gz ZGOPZSYPRNPYKC-UHFFFAOYSA-N 0 0 392.459 4.284 50 5 GIBARN O=[N+]([O-])c1c2nonc2c(Nc2ccccc2O)cc1Nc1cccc(O)c1 ZINC000004805296 570995745 /nfs/dbraw/zinc/99/57/45/570995745.db2.gz POOMYZPKIDRDMO-UHFFFAOYSA-N 0 0 379.332 4.029 50 5 GIBARN O=C(Nc1cccc(Cl)c1OC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000004809638 570995846 /nfs/dbraw/zinc/99/58/46/570995846.db2.gz MRALWYHQBGJNBG-AWEZNQCLSA-N 0 0 376.796 4.058 50 5 GIBARN Cc1cc(N[C@@H](C)c2ccc3c(c2)CCO3)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084114690 570999345 /nfs/dbraw/zinc/99/93/45/570999345.db2.gz HSBRGPYZZGWIEV-AWEZNQCLSA-N 0 0 376.416 4.468 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1[N+](=O)[O-] ZINC000007725334 571022985 /nfs/dbraw/zinc/02/29/85/571022985.db2.gz AMMORTKOTVOMQW-UHFFFAOYSA-N 0 0 388.383 4.399 50 5 GIBARN O=C(NCc1ccccc1Cl)c1cccn2c(=O)c3ccc(Cl)cc3nc12 ZINC000002957313 817408938 /nfs/dbraw/zinc/40/89/38/817408938.db2.gz KJUCVJOLJYPHLN-UHFFFAOYSA-N 0 0 398.249 4.085 50 5 GIBARN O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cl)cc1Cl ZINC000002981815 817410238 /nfs/dbraw/zinc/41/02/38/817410238.db2.gz BOQPYLIINZHLFN-UHFFFAOYSA-N 0 0 385.272 4.451 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(OCc2ccccc2)cc1 ZINC000002991197 817410593 /nfs/dbraw/zinc/41/05/93/817410593.db2.gz WZYLFQWHRDLCQP-UHFFFAOYSA-N 0 0 399.424 4.250 50 5 GIBARN Cc1cc(OC(=O)c2ccccc2)c(Sc2ccccc2[N+](=O)[O-])c(=O)o1 ZINC000003206269 817421851 /nfs/dbraw/zinc/42/18/51/817421851.db2.gz CVMHXEDZXHIZTO-UHFFFAOYSA-N 0 0 383.381 4.227 50 5 GIBARN Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1 ZINC000003222801 817424241 /nfs/dbraw/zinc/42/42/41/817424241.db2.gz APJWBMJFYZOJFR-IBGZPJMESA-N 0 0 394.383 4.341 50 5 aggregator GIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(Cl)c(Cl)c1 ZINC000003320929 817435999 /nfs/dbraw/zinc/43/59/99/817435999.db2.gz HPJQYTZDTUMJGN-UHFFFAOYSA-N 0 0 384.171 4.125 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 ZINC000003533980 817480488 /nfs/dbraw/zinc/48/04/88/817480488.db2.gz KMTCLVMZRDJKHZ-OAHLLOKOSA-N 0 0 383.429 4.030 50 5 GIBARN Cc1ccc(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1[N+](=O)[O-] ZINC000003615396 817492836 /nfs/dbraw/zinc/49/28/36/817492836.db2.gz HSHSJIOXMKKEIA-UHFFFAOYSA-N 0 0 379.343 4.493 50 5 GIBARN CC(=O)Nc1ccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)cc1 ZINC000003880291 817494862 /nfs/dbraw/zinc/49/48/62/817494862.db2.gz LTOJMYROGYMTRG-UHFFFAOYSA-N 0 0 392.419 4.163 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCN(C(=S)Nc3cccc4ccccc43)CC2)cc1 ZINC000003878792 817495003 /nfs/dbraw/zinc/49/50/03/817495003.db2.gz WACPGPQEQVFMNB-UHFFFAOYSA-N 0 0 392.484 4.267 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc([N+](=O)[O-])ccc1NC1CCCCC1 ZINC000004014292 817496393 /nfs/dbraw/zinc/49/63/93/817496393.db2.gz ZIDHLXHHZCBPEZ-UHFFFAOYSA-N 0 0 384.392 4.500 50 5 GIBARN O=C(/C=C/c1ccccc1)Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004016109 817497427 /nfs/dbraw/zinc/49/74/27/817497427.db2.gz YCODFPWWFXCCIR-VOTSOKGWSA-N 0 0 381.266 4.174 50 5 GIBARN Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000004120323 817505071 /nfs/dbraw/zinc/50/50/71/817505071.db2.gz NEWORRHYXCGDDJ-UHFFFAOYSA-N 0 0 383.473 4.265 50 5 GIBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1coc2ccccc2c1=O ZINC000004194619 817510030 /nfs/dbraw/zinc/51/00/30/817510030.db2.gz CYWLNDVKGMCCKJ-UHFFFAOYSA-N 0 0 399.409 4.139 50 5 GIBARN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000008275343 818028227 /nfs/dbraw/zinc/02/82/27/818028227.db2.gz DMKQWZZNHAWVFX-UHFFFAOYSA-N 0 0 383.383 4.240 50 5 GIBARN COc1ccc(C(=O)NC2c3ccccc3Oc3ccccc32)cc1[N+](=O)[O-] ZINC000058244791 823371128 /nfs/dbraw/zinc/37/11/28/823371128.db2.gz YJRGJUSPALYECM-UHFFFAOYSA-N 0 0 376.368 4.229 50 5 GIBARN O=C(Nc1ccccc1-n1cccn1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000040088396 821134010 /nfs/dbraw/zinc/13/40/10/821134010.db2.gz SRDXXIJWJSQTBS-UHFFFAOYSA-N 0 0 391.431 4.023 50 5 GIBARN Cn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1 ZINC000040122874 821143171 /nfs/dbraw/zinc/14/31/71/821143171.db2.gz WRNCODZCRBVJKY-UHFFFAOYSA-N 0 0 390.852 4.215 50 5 GIBARN O=[N+]([O-])c1ccc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)nc1 ZINC000054981785 822928136 /nfs/dbraw/zinc/92/81/36/822928136.db2.gz CWGQGZAIHNIYBL-UHFFFAOYSA-N 0 0 381.354 4.169 50 5 GIBARN C[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000018061137 210213710 /nfs/dbraw/zinc/21/37/10/210213710.db2.gz RQSOTNBJCBCXGQ-LLVKDONJSA-N 0 0 377.326 4.367 50 5 GIBARN COc1ccc(CN(C)c2ccc(-c3nc(C(C)C)no3)cc2[N+](=O)[O-])cc1 ZINC000015833952 210172789 /nfs/dbraw/zinc/17/27/89/210172789.db2.gz MXBNNCYUCQVFSR-UHFFFAOYSA-N 0 0 382.420 4.413 50 5 GIBARN Cc1cccc([C@H]2N[C@@H](c3cccc(C)c3)[C@@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])c1 ZINC000013143031 210054267 /nfs/dbraw/zinc/05/42/67/210054267.db2.gz OGCYJIVSWQMNJB-IYWMVGAKSA-N 0 0 383.448 4.006 50 5 GIBARN Cc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1[N+](=O)[O-] ZINC000013010975 210047006 /nfs/dbraw/zinc/04/70/06/210047006.db2.gz WXFRRANRMVEVBC-UHFFFAOYSA-N 0 0 394.456 4.175 50 5 GIBARN C[C@@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000012845746 210017297 /nfs/dbraw/zinc/01/72/97/210017297.db2.gz AKUCHXMKNUQZOY-SNVBAGLBSA-N 0 0 396.371 4.094 50 5 GIBARN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012795681 210012109 /nfs/dbraw/zinc/01/21/09/210012109.db2.gz YSHYKWNVTHZCST-QGZVFWFLSA-N 0 0 382.416 4.042 50 5 GIBARN CN(Cc1ccc(Cl)c(Cl)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012790481 210010098 /nfs/dbraw/zinc/01/00/98/210010098.db2.gz BIOLCVAXGNSOIT-UHFFFAOYSA-N 0 0 383.231 4.400 50 5 GIBARN O=C(Nc1ccccc1)C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000012597102 209984376 /nfs/dbraw/zinc/98/43/76/209984376.db2.gz NPNGNOOEQYQCOW-UHFFFAOYSA-N 0 0 393.365 4.469 50 5 GIBARN CCC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000012528612 209969041 /nfs/dbraw/zinc/96/90/41/209969041.db2.gz SOOOTFFVNSTICH-UHFFFAOYSA-N 0 0 399.450 4.142 50 5 GIBARN Cc1csc(-n2c(C)cc(C(=O)COc3cc(F)ccc3[N+](=O)[O-])c2C)n1 ZINC000010445906 209860470 /nfs/dbraw/zinc/86/04/70/209860470.db2.gz IRCNNELHGVLJKT-UHFFFAOYSA-N 0 0 389.408 4.168 50 5 GIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])N[C@@H](c1cccs1)c1ccccc1 ZINC000008469878 209781256 /nfs/dbraw/zinc/78/12/56/209781256.db2.gz XQJDKIUDNLTFSD-LJQANCHMSA-N 0 0 386.404 4.080 50 5 GIBARN CC(C)CCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1C1CCCCC1 ZINC000005353284 209589118 /nfs/dbraw/zinc/58/91/18/209589118.db2.gz KFJHOKWONWSZFX-UHFFFAOYSA-N 0 0 379.504 4.342 50 5 GIBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 ZINC000004778446 209525019 /nfs/dbraw/zinc/52/50/19/209525019.db2.gz CRZIEOPBHCWKQF-UHFFFAOYSA-N 0 0 397.412 4.170 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1COc1ccc2c(c1)oc(=O)c1c2CCCC1 ZINC000004755589 209522410 /nfs/dbraw/zinc/52/24/10/209522410.db2.gz OUSXOUSLWIHGSO-UHFFFAOYSA-N 0 0 381.384 4.168 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1C1=N/C(=C/c2ccc(Cl)cc2Cl)C(=O)O1 ZINC000002930645 209398232 /nfs/dbraw/zinc/39/82/32/209398232.db2.gz FTEMKSUPMNXDTA-MKMNVTDBSA-N 0 0 393.182 4.255 50 5 GIBARN CCCC[C@@H](CC)c1nnc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000002872611 209394482 /nfs/dbraw/zinc/39/44/82/209394482.db2.gz MVNGSNJBBZXZFN-LLVKDONJSA-N 0 0 378.454 4.391 50 5 GIBARN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000002870559 209394340 /nfs/dbraw/zinc/39/43/40/209394340.db2.gz CQORCZNDNWFRTH-UHFFFAOYSA-N 0 0 397.378 4.257 50 5 GIBARN Cc1cccc(C(=O)Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000002836843 209390583 /nfs/dbraw/zinc/39/05/83/209390583.db2.gz SMWDFSIVUFPJDD-UHFFFAOYSA-N 0 0 386.458 4.299 50 5 GIBARN Cc1ccc(NC(=O)c2cnn3c2nccc3-c2cccc([N+](=O)[O-])c2)cc1C ZINC000002797892 209386279 /nfs/dbraw/zinc/38/62/79/209386279.db2.gz AFEVGMCYBMMYGP-UHFFFAOYSA-N 0 0 387.399 4.174 50 5 GIBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002767427 209383603 /nfs/dbraw/zinc/38/36/03/209383603.db2.gz DCFNTTVOHXQCTD-UHFFFAOYSA-N 0 0 384.823 4.362 50 5 GIBARN Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1I ZINC000002652647 209375389 /nfs/dbraw/zinc/37/53/89/209375389.db2.gz QYPHYZIOZQIQSZ-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN CCCc1cc(=O)oc2cc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)ccc12 ZINC000002656302 209375471 /nfs/dbraw/zinc/37/54/71/209375471.db2.gz VXFHWIXBWOOKEB-UHFFFAOYSA-N 0 0 397.383 4.099 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ncc2ccccn21 ZINC000002161400 209348703 /nfs/dbraw/zinc/34/87/03/209348703.db2.gz HYEJPLWXZXPTRT-UHFFFAOYSA-N 0 0 384.295 4.321 50 5 GIBARN O=C(Nc1c2ccccc2nc2c1CCCC2)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002179038 209348727 /nfs/dbraw/zinc/34/87/27/209348727.db2.gz FOGGHQWYEHQJPB-UHFFFAOYSA-N 0 0 392.371 4.182 50 5 GIBARN CC[C@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002424114 209362508 /nfs/dbraw/zinc/36/25/08/209362508.db2.gz WCKSZSKYFIDBPD-ZDUSSCGKSA-N 0 0 387.418 4.394 50 5 GIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O ZINC000002377175 209359902 /nfs/dbraw/zinc/35/99/02/209359902.db2.gz HNRMULTUQCTSKF-CYBMUJFWSA-N 0 0 387.418 4.394 50 5 GIBARN CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002362077 209358707 /nfs/dbraw/zinc/35/87/07/209358707.db2.gz VNYCRFIVTXZVCU-IFXJQAMLSA-N 0 0 388.445 4.077 50 5 GIBARN O=C1S[C@@H](Nc2cccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000002361102 209358737 /nfs/dbraw/zinc/35/87/37/209358737.db2.gz WALBNFYCIPCEFP-GOSISDBHSA-N 0 0 393.424 4.382 50 5 GIBARN Cc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2-c2ccccc2)cc1 ZINC000002329847 209357217 /nfs/dbraw/zinc/35/72/17/209357217.db2.gz KBWMWSFUNGFBAP-UHFFFAOYSA-N 0 0 380.403 4.468 50 5 GIBARN Cn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002341511 209357285 /nfs/dbraw/zinc/35/72/85/209357285.db2.gz NNSPADUVYBPJMZ-UHFFFAOYSA-N 0 0 399.406 4.366 50 5 GIBARN CC(C)CCn1c2nc3ccccc3nc2c2c1ncn(C1CCCC1)c2=O ZINC000002247190 209352959 /nfs/dbraw/zinc/35/29/59/209352959.db2.gz PZQPPXNGZPPIOJ-UHFFFAOYSA-N 0 0 375.476 4.456 50 5 GIBARN CCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(CC(C)C)c2=O ZINC000002247481 209352504 /nfs/dbraw/zinc/35/25/04/209352504.db2.gz ZUHCQGYLELZROO-UHFFFAOYSA-N 0 0 377.492 4.449 50 5 GIBARN Cc1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000002101566 209347418 /nfs/dbraw/zinc/34/74/18/209347418.db2.gz FEHPSJVOZNZIHA-UHFFFAOYSA-N 0 0 399.281 4.005 50 5 GIBARN CCCCOC(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000001738482 209337643 /nfs/dbraw/zinc/33/76/43/209337643.db2.gz YCRRIDJXAAEDDD-UHFFFAOYSA-N 0 0 375.356 4.335 50 5 GIBARN CCCCOC(=O)c1ccc(NC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000001741714 209336732 /nfs/dbraw/zinc/33/67/32/209336732.db2.gz JHUUECQLURLWII-UHFFFAOYSA-N 0 0 375.356 4.335 50 5 GIBARN O=[N+]([O-])c1ccc(C(F)(F)F)cc1S(=O)(=O)Cc1ccccc1Cl ZINC000001399501 209326384 /nfs/dbraw/zinc/32/63/84/209326384.db2.gz AYWNDTBQUDVDDB-UHFFFAOYSA-N 0 0 379.743 4.241 50 5 GIBARN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000001417275 209327346 /nfs/dbraw/zinc/32/73/46/209327346.db2.gz QWTDTQYNLDKSQO-RQZCQDPDSA-N 0 0 379.397 4.313 50 5 GIBARN Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000001217501 209316339 /nfs/dbraw/zinc/31/63/39/209316339.db2.gz COXLHSAPSSSZOR-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN CCSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 ZINC000001207337 209314408 /nfs/dbraw/zinc/31/44/08/209314408.db2.gz RFCHNLLBKCHPME-UHFFFAOYSA-N 0 0 385.426 4.117 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001207315 209314458 /nfs/dbraw/zinc/31/44/58/209314458.db2.gz AYGIDUXBDINJNG-UHFFFAOYSA-N 0 0 389.367 4.421 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] ZINC000001161497 209308826 /nfs/dbraw/zinc/30/88/26/209308826.db2.gz DXZDHSPGLPRQAU-UHFFFAOYSA-N 0 0 390.355 4.059 50 5 GIBARN CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000001155553 209307598 /nfs/dbraw/zinc/30/75/98/209307598.db2.gz OCZJOBUSUUOJBK-ZRDIBKRKSA-N 0 0 391.383 4.465 50 5 GIBARN O=C(COC(=O)c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001150244 209306677 /nfs/dbraw/zinc/30/66/77/209306677.db2.gz VDODPUWZYHZVSW-UHFFFAOYSA-N 0 0 391.379 4.214 50 5 GIBARN O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000001111339 209300954 /nfs/dbraw/zinc/30/09/54/209300954.db2.gz KMGXIPHEYWXUCK-UHFFFAOYSA-N 0 0 387.823 4.127 50 5 GIBARN CCOc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OCC ZINC000001085856 209297901 /nfs/dbraw/zinc/29/79/01/209297901.db2.gz HKPKJBTWVAIYTP-UHFFFAOYSA-N 0 0 392.839 4.018 50 5 GIBARN O=c1oc2c(Br)cc([N+](=O)[O-])cc2cc1-c1nc2ccccc2[nH]1 ZINC000001072046 209296879 /nfs/dbraw/zinc/29/68/79/209296879.db2.gz UWZHRJUSMQNCCD-UHFFFAOYSA-N 0 0 386.161 4.007 50 5 GIBARN CCOC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(Cl)c1 ZINC000001042245 209293072 /nfs/dbraw/zinc/29/30/72/209293072.db2.gz ZKQOJDVYXYDMGT-UHFFFAOYSA-N 0 0 384.171 4.298 50 5 GIBARN COc1cc(C2SCCS2)cc([N+](=O)[O-])c1OC(=O)Cc1ccccc1 ZINC000001044258 209292529 /nfs/dbraw/zinc/29/25/29/209292529.db2.gz JMPHIHBPIDKUJK-UHFFFAOYSA-N 0 0 391.470 4.230 50 5 GIBARN O=C1c2cccc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(Br)cc1 ZINC000001049466 209293404 /nfs/dbraw/zinc/29/34/04/209293404.db2.gz URWCLDLKWWONPS-UHFFFAOYSA-N 0 0 397.184 4.311 50 5 GIBARN O=C(Nc1cc(Cl)ccc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000976080 209284511 /nfs/dbraw/zinc/28/45/11/209284511.db2.gz UXMCLUVDABBKQD-UHFFFAOYSA-N 0 0 379.155 4.260 50 5 GIBARN Cc1ccc(OCC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)c1 ZINC000000957921 209283910 /nfs/dbraw/zinc/28/39/10/209283910.db2.gz TUDNPUOUGMCWQB-UHFFFAOYSA-N 0 0 383.429 4.353 50 5 GIBARN CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000000949033 209282280 /nfs/dbraw/zinc/28/22/80/209282280.db2.gz YUPBMHBOGCDTQR-UHFFFAOYSA-N 0 0 381.388 4.462 50 5 GIBARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000000856221 209273095 /nfs/dbraw/zinc/27/30/95/209273095.db2.gz LYRBSYVFHGVGJX-QGZVFWFLSA-N 0 0 388.221 4.055 50 5 GIBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)cc1 ZINC000000669932 209257178 /nfs/dbraw/zinc/25/71/78/209257178.db2.gz CMYPBYDHDKVKEM-UHFFFAOYSA-N 0 0 375.797 4.411 50 5 GIBARN COc1ccc(CN(C(=O)c2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C2CC2)cc1 ZINC000032753985 211942520 /nfs/dbraw/zinc/94/25/20/211942520.db2.gz XQPSVNWNBJIHHI-CQSZACIVSA-N 0 0 384.432 4.053 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000015363706 211709784 /nfs/dbraw/zinc/70/97/84/211709784.db2.gz ICESVHZORIYHAT-UHFFFAOYSA-N 0 0 398.843 4.049 50 5 GIBARN CCCCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(OC)cc1 ZINC000012642771 211687409 /nfs/dbraw/zinc/68/74/09/211687409.db2.gz XILGRDLZEQPXDX-UHFFFAOYSA-N 0 0 385.449 4.208 50 5 GIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001861476 211611966 /nfs/dbraw/zinc/61/19/66/211611966.db2.gz MHYATUJYHPTEHY-UHFFFAOYSA-N 0 0 378.753 4.018 50 5 GIBARN COc1ccc(Nc2nc(Nc3ccc(N(C)C)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004854698 211551154 /nfs/dbraw/zinc/55/11/54/211551154.db2.gz HRGVWLAHAOZZHZ-UHFFFAOYSA-N 0 0 394.435 4.255 50 5 GIBARN CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(C)cc1 ZINC000044085535 211449366 /nfs/dbraw/zinc/44/93/66/211449366.db2.gz PJWWOWMJLWAUHG-UHFFFAOYSA-N 0 0 397.456 4.411 50 5 GIBARN Cc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000102703922 211414616 /nfs/dbraw/zinc/41/46/16/211414616.db2.gz FQUBQBORJYROIZ-BFUOFWGJSA-N 0 0 391.387 4.153 50 5 GIBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ncnn32)c1 ZINC000101070101 211394922 /nfs/dbraw/zinc/39/49/22/211394922.db2.gz COTGSFMTOPCRFQ-INIZCTEOSA-N 0 0 398.220 4.005 50 5 GIBARN Cc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(C)c1-c1ccc(Cl)cc1 ZINC000098087456 211380469 /nfs/dbraw/zinc/38/04/69/211380469.db2.gz MQQIRVDVBUBFCC-ZZEZOPTASA-N 0 0 387.848 4.365 50 5 GIBARN CC[C@H](C)N(CCc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)C1CCCC1 ZINC000096288384 211330711 /nfs/dbraw/zinc/33/07/11/211330711.db2.gz WWWWHKQMTJVMGY-AWEZNQCLSA-N 0 0 386.452 4.005 50 5 GIBARN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000096277336 211330110 /nfs/dbraw/zinc/33/01/10/211330110.db2.gz NWYRJAQXMBCWCV-CXAGYDPISA-N 0 0 380.404 4.162 50 5 GIBARN CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)Cc1ccc(OC(F)(F)F)cc1 ZINC000079051019 211153456 /nfs/dbraw/zinc/15/34/56/211153456.db2.gz ZTZUAHKLPSHZKS-UHFFFAOYSA-N 0 0 381.310 4.267 50 5 GIBARN CC(C)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1ccc(F)c(F)c1 ZINC000079026200 211153331 /nfs/dbraw/zinc/15/33/31/211153331.db2.gz SRRWEHDLGKCIMT-UHFFFAOYSA-N 0 0 377.391 4.117 50 5 GIBARN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000079055718 211153074 /nfs/dbraw/zinc/15/30/74/211153074.db2.gz ALQCMVPRGSWIHQ-UHFFFAOYSA-N 0 0 386.408 4.045 50 5 GIBARN O=C(Nc1cccc(C=Cc2ccccn2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000032300787 210575241 /nfs/dbraw/zinc/57/52/41/210575241.db2.gz IJYCCGBJMRDUNR-BQYQJAHWSA-N 0 0 385.383 4.289 50 5 GIBARN CC(C)(C)c1ccc(C(=O)OCc2cc(=O)oc3cc(O)ccc23)cc1[N+](=O)[O-] ZINC000021628989 210386343 /nfs/dbraw/zinc/38/63/43/210386343.db2.gz WSCVKHJWCUJRDO-UHFFFAOYSA-N 0 0 397.383 4.061 50 5 GIBARN COc1ccc([C@@H](CC(=O)c2ccccc2)Cc2onc(C)c2[N+](=O)[O-])cc1 ZINC000019872725 210304024 /nfs/dbraw/zinc/30/40/24/210304024.db2.gz GLDXLOWNTHMGJR-KRWDZBQOSA-N 0 0 380.400 4.499 50 5 GIBARN CCCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1C1CCCCC1 ZINC000005348736 220860379 /nfs/dbraw/zinc/86/03/79/220860379.db2.gz AQUIYYNEZMJQLD-UHFFFAOYSA-N 0 0 379.504 4.486 50 5 GIBARN Cc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)C(C)C)CCC3)ccc1[N+](=O)[O-] ZINC000005136339 136194454 /nfs/dbraw/zinc/19/44/54/136194454.db2.gz PEMXPEISUONTQS-UHFFFAOYSA-N 0 0 381.432 4.091 50 5 GIBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccccc1N1CCCCC1 ZINC000008720368 136195630 /nfs/dbraw/zinc/19/56/30/136195630.db2.gz AKYAKGCIAOTRBG-QGZVFWFLSA-N 0 0 396.491 4.044 50 5 GIBARN CCc1ccc(C(=O)N(Cc2nnc(-c3cccc([N+](=O)[O-])c3)o2)C2CC2)cc1 ZINC000007596514 523881897 /nfs/dbraw/zinc/88/18/97/523881897.db2.gz VMBHHFQXYRZYRY-UHFFFAOYSA-N 0 0 392.415 4.012 50 5 GIBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@H]2c3ccccc3C=NN21 ZINC000247290607 534745284 /nfs/dbraw/zinc/74/52/84/534745284.db2.gz AQNMCDPYPROWTM-LUKWVAJMSA-N 0 0 397.434 4.071 50 5 GIBARN COC(=O)c1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002114294 536736853 /nfs/dbraw/zinc/73/68/53/536736853.db2.gz WBGUHMZWPSSKDZ-UHFFFAOYSA-N 0 0 387.391 4.089 50 5 GIBARN CCOC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000044085353 570235062 /nfs/dbraw/zinc/23/50/62/570235062.db2.gz VWXQRSVWJJVVMV-UHFFFAOYSA-N 0 0 383.429 4.103 50 5 GIBARN COc1ccc(-n2c(/C=C\c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1 ZINC000033388771 570286403 /nfs/dbraw/zinc/28/64/03/570286403.db2.gz RUAUFKMIDMBAPB-NVNXTCNLSA-N 0 0 399.406 4.473 50 5 GIBARN C[C@H](Sc1nc2cc(Br)cnc2[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000024754032 570290059 /nfs/dbraw/zinc/29/00/59/570290059.db2.gz RNTKFYIPVXBHKP-QMMMGPOBSA-N 0 0 379.239 4.482 50 5 GIBARN Cc1ccc(OCc2nc(CC(=O)Nc3cccc([N+](=O)[O-])c3C)cs2)cc1 ZINC000012921615 570294540 /nfs/dbraw/zinc/29/45/40/570294540.db2.gz DWULQYZXYJJKPQ-UHFFFAOYSA-N 0 0 397.456 4.428 50 5 GIBARN CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000728171 570303969 /nfs/dbraw/zinc/30/39/69/570303969.db2.gz VGJYXBJMJKTRGX-IURSYISVSA-N 0 0 379.416 4.213 50 5 GIBARN O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000004838578 570306574 /nfs/dbraw/zinc/30/65/74/570306574.db2.gz AIHRTICCMHTAPK-UHFFFAOYSA-N 0 0 375.340 4.361 50 5 GIBARN COCCCNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1C ZINC000004839795 570307082 /nfs/dbraw/zinc/30/70/82/570307082.db2.gz TVNUVUCTFYSUBT-UHFFFAOYSA-N 0 0 377.828 4.257 50 5 GIBARN O=C(OCc1nc2ccccc2s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004840179 570312125 /nfs/dbraw/zinc/31/21/25/570312125.db2.gz RTQKFJXDVZJUGQ-UHFFFAOYSA-N 0 0 383.429 4.162 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(Cl)c1Cl ZINC000004873681 570352063 /nfs/dbraw/zinc/35/20/63/570352063.db2.gz UDVDWAJUJWYBJT-UHFFFAOYSA-N 0 0 391.642 4.479 50 5 GIBARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004895869 570357717 /nfs/dbraw/zinc/35/77/17/570357717.db2.gz CQXSLZZVDWLUCH-CQSZACIVSA-N 0 0 396.447 4.042 50 5 GIBARN O=C(c1ccccc1)c1ccc(NC[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1 ZINC000006346117 570394978 /nfs/dbraw/zinc/39/49/78/570394978.db2.gz LUSUZSMDTFGHOG-QGZVFWFLSA-N 0 0 390.395 4.078 50 5 GIBARN CC(=O)Nc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 ZINC000006347820 570395040 /nfs/dbraw/zinc/39/50/40/570395040.db2.gz GKJWVUAWRSUGKF-UHFFFAOYSA-N 0 0 387.391 4.262 50 5 GIBARN O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000005024149 570398839 /nfs/dbraw/zinc/39/88/39/570398839.db2.gz HZTMZPLUTHKGDZ-QHCPKHFHSA-N 0 0 398.418 4.235 50 5 GIBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000005051928 570406494 /nfs/dbraw/zinc/40/64/94/570406494.db2.gz NACCGGYZZORREN-UHFFFAOYSA-N 0 0 386.799 4.116 50 5 GIBARN O=C(CNc1ccc(Br)cc1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005090211 570414817 /nfs/dbraw/zinc/41/48/17/570414817.db2.gz SUCJCDITFLJQHC-UHFFFAOYSA-N 0 0 384.617 4.061 50 5 GIBARN COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccc(C)c(C)c3)n2)cc1 ZINC000005119686 570420554 /nfs/dbraw/zinc/42/05/54/570420554.db2.gz VFMNOPWJXBKDKE-UHFFFAOYSA-N 0 0 380.408 4.080 50 5 GIBARN O=[N+]([O-])c1ccc(NCCNc2c(Cl)cccc2[N+](=O)[O-])c2ncccc12 ZINC000005128591 570422311 /nfs/dbraw/zinc/42/23/11/570422311.db2.gz MXMYCUPFECGNJG-UHFFFAOYSA-N 0 0 387.783 4.229 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccccc2F)cc1 ZINC000005142393 570425850 /nfs/dbraw/zinc/42/58/50/570425850.db2.gz MVJYBHBMVHUGSX-UHFFFAOYSA-N 0 0 396.374 4.427 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000005142938 570426300 /nfs/dbraw/zinc/42/63/00/570426300.db2.gz JNQNSSMSKDFHPC-QRWLVFNGSA-N 0 0 398.459 4.344 50 5 GIBARN [O-][n+]1c2ccccc2nc2cc3nc(-c4cccc(Br)c4)[nH]c3cc21 ZINC000005297355 570433272 /nfs/dbraw/zinc/43/32/72/570433272.db2.gz AEVMFFPIXFFOGI-UHFFFAOYSA-N 0 0 391.228 4.327 50 5 GIBARN CCOc1cc2c(cc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-])O[C@H](C)C2 ZINC000026887548 570449989 /nfs/dbraw/zinc/44/99/89/570449989.db2.gz RZDRSBMYGJJFKO-LLVKDONJSA-N 0 0 388.445 4.291 50 5 GIBARN CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000001993594 570452516 /nfs/dbraw/zinc/45/25/16/570452516.db2.gz DZIFTWUCMWKBNG-UHFFFAOYSA-N 0 0 390.823 4.169 50 5 GIBARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000005193026 570499206 /nfs/dbraw/zinc/49/92/06/570499206.db2.gz WGEYSHQKPJSLIM-UHFFFAOYSA-N 0 0 378.772 4.158 50 5 GIBARN O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000006615312 570505002 /nfs/dbraw/zinc/50/50/02/570505002.db2.gz MQIWDIFBOQBGFU-UHFFFAOYSA-N 0 0 380.448 4.048 50 5 GIBARN COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] ZINC000006653925 570520739 /nfs/dbraw/zinc/52/07/39/570520739.db2.gz LFXVBHPOBRFHBP-UHFFFAOYSA-N 0 0 388.383 4.399 50 5 GIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]1c1cc2ccccc2nc1Cl ZINC000064819657 570554484 /nfs/dbraw/zinc/55/44/84/570554484.db2.gz XCTXXYICJUDRSB-LJQANCHMSA-N 0 0 396.790 4.036 50 5 GIBARN Cc1ccc(C)c(-c2csc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)c1 ZINC000001791440 570584828 /nfs/dbraw/zinc/58/48/28/570584828.db2.gz HLIWQCCKLZIYPY-UHFFFAOYSA-N 0 0 383.429 4.353 50 5 GIBARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005508631 570617434 /nfs/dbraw/zinc/61/74/34/570617434.db2.gz MABATIDBWTYJKW-LLVKDONJSA-N 0 0 386.791 4.466 50 5 GIBARN CCc1ccc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])C(C)C)cc1 ZINC000006832232 570636154 /nfs/dbraw/zinc/63/61/54/570636154.db2.gz YKNPJRNYTQXAAD-LJQANCHMSA-N 0 0 376.478 4.370 50 5 GIBARN O=[N+]([O-])c1cc([S@@](=O)C(F)(F)F)ccc1Sc1nc2ccccc2[nH]1 ZINC000005595150 570665971 /nfs/dbraw/zinc/66/59/71/570665971.db2.gz DIAKURVCPJJYRG-VWLOTQADSA-N 0 0 387.364 4.250 50 5 GIBARN O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004348496 570680358 /nfs/dbraw/zinc/68/03/58/570680358.db2.gz PZSWLERLRRJGJT-UHFFFAOYSA-N 0 0 399.409 4.400 50 5 GIBARN CC1CCN(c2nc3ccccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034692556 570692523 /nfs/dbraw/zinc/69/25/23/570692523.db2.gz SQCYLBRJEJVZJQ-UHFFFAOYSA-N 0 0 388.431 4.089 50 5 GIBARN O=C1OC(c2ccccc2Br)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013809950 570698866 /nfs/dbraw/zinc/69/88/66/570698866.db2.gz JOGIMWVUZDNMFX-DORXXBADSA-N 0 0 399.200 4.258 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 ZINC000007003228 570737765 /nfs/dbraw/zinc/73/77/65/570737765.db2.gz MIOSSPWIXFAZTQ-HNNXBMFYSA-N 0 0 398.463 4.033 50 5 GIBARN Cc1cc(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1C ZINC000007026780 570742779 /nfs/dbraw/zinc/74/27/79/570742779.db2.gz VPWZQSVGNJESTP-UHFFFAOYSA-N 0 0 397.214 4.314 50 5 GIBARN O=[N+]([O-])c1ccc(OC[C@H](O)CN(Cc2ccccc2)c2ccccc2)cc1 ZINC000001115475 570753849 /nfs/dbraw/zinc/75/38/49/570753849.db2.gz BYBPUZPUFIIZSC-OAQYLSRUSA-N 0 0 378.428 4.041 50 5 GIBARN Cc1c(C(=O)NC(=S)Nc2cc(C(C)(C)C)ccc2O)cccc1[N+](=O)[O-] ZINC000001181032 570790951 /nfs/dbraw/zinc/79/09/51/570790951.db2.gz TVUWJVAWHICSSY-UHFFFAOYSA-N 0 0 387.461 4.033 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br ZINC000001185597 570791397 /nfs/dbraw/zinc/79/13/97/570791397.db2.gz QZWBYULHCUXIAG-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN COc1cccc(NC(=O)[C@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000005869411 570799305 /nfs/dbraw/zinc/79/93/05/570799305.db2.gz PPCWLPPHRFKRQA-HXUWFJFHSA-N 0 0 378.384 4.362 50 5 GIBARN COc1ccccc1CCNC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000005918847 570803603 /nfs/dbraw/zinc/80/36/03/570803603.db2.gz NJAIITLUJSEEDZ-UHFFFAOYSA-N 0 0 390.848 4.444 50 5 GIBARN O=C(CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1)N1CCc2ccccc21 ZINC000005700278 570818448 /nfs/dbraw/zinc/81/84/48/570818448.db2.gz KSRDQZBFKRATQR-UHFFFAOYSA-N 0 0 388.427 4.340 50 5 GIBARN O=C(CN1CCCc2ccccc21)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000012484741 570821532 /nfs/dbraw/zinc/82/15/32/570821532.db2.gz NCEGXNCSDOFHTE-UHFFFAOYSA-N 0 0 394.456 4.110 50 5 GIBARN Cc1ccccc1-n1ncc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C1CC1 ZINC000032809323 570831809 /nfs/dbraw/zinc/83/18/09/570831809.db2.gz SQGJMUUJJYCNNT-UHFFFAOYSA-N 0 0 380.379 4.358 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)N(Cc1cccs1)C1CC1 ZINC000012540310 570840864 /nfs/dbraw/zinc/84/08/64/570840864.db2.gz JTIQGACVJIYXAC-UHFFFAOYSA-N 0 0 388.492 4.407 50 5 GIBARN COC(=O)c1cc(NC(=O)c2oc3c(cc(C)cc3C)c2C)cc([N+](=O)[O-])c1 ZINC000526052282 570845767 /nfs/dbraw/zinc/84/57/67/570845767.db2.gz PXDJMUSCGQCYOO-UHFFFAOYSA-N 0 0 382.372 4.305 50 5 GIBARN CC(=O)c1cccc(Nc2nc(C)c([N+](=O)[O-])c(N(C)c3ccccc3)n2)c1 ZINC000004719471 570856927 /nfs/dbraw/zinc/85/69/27/570856927.db2.gz VVHGRAVEVYXIQZ-UHFFFAOYSA-N 0 0 377.404 4.407 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000012560243 570862170 /nfs/dbraw/zinc/86/21/70/570862170.db2.gz AYFWYYWPCLENQX-UHFFFAOYSA-N 0 0 388.383 4.074 50 5 GIBARN Cc1cc(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000007549499 570878864 /nfs/dbraw/zinc/87/88/64/570878864.db2.gz RGQZFVULSHDYJU-HXUWFJFHSA-N 0 0 382.441 4.249 50 5 GIBARN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1Cc1ccccc1 ZINC000004729043 570883637 /nfs/dbraw/zinc/88/36/37/570883637.db2.gz UBRYVLVMKHFPRI-QNGOZBTKSA-N 0 0 383.407 4.425 50 5 GIBARN O=C(Nc1ccc(N2CCCCC2)nc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000032883886 570884698 /nfs/dbraw/zinc/88/46/98/570884698.db2.gz GHLLROGEDUWULG-UHFFFAOYSA-N 0 0 382.445 4.447 50 5 GIBARN O=[N+]([O-])c1ccc2c(c1)CCN2Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000032891462 570888975 /nfs/dbraw/zinc/88/89/75/570888975.db2.gz UXKWNPXPGWZEJE-UHFFFAOYSA-N 0 0 390.321 4.226 50 5 GIBARN O=C(NCCOc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000022480330 570899273 /nfs/dbraw/zinc/89/92/73/570899273.db2.gz NUTPHULVPSBMLI-UHFFFAOYSA-N 0 0 388.729 4.076 50 5 GIBARN CCCCCc1nnc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)s1 ZINC000012644746 570934389 /nfs/dbraw/zinc/93/43/89/570934389.db2.gz YRMQZVNHZXVOOK-UHFFFAOYSA-N 0 0 375.454 4.006 50 5 GIBARN Cc1sc(C(=O)NCc2cccnc2Oc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000032924792 570936066 /nfs/dbraw/zinc/93/60/66/570936066.db2.gz QXBYUFRYQVEKAV-UHFFFAOYSA-N 0 0 387.392 4.221 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000007594391 570961091 /nfs/dbraw/zinc/96/10/91/570961091.db2.gz JNUCGRMGMYJGTF-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2c1ncc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000004791769 570992469 /nfs/dbraw/zinc/99/24/69/570992469.db2.gz RAKYOWHHECUVPA-IFXJQAMLSA-N 0 0 388.445 4.077 50 5 GIBARN O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2[nH]1)c1cccs1 ZINC000004816053 571094892 /nfs/dbraw/zinc/09/48/92/571094892.db2.gz UADOWZBOXZTZQH-ATVHPVEESA-N 0 0 390.424 4.461 50 5 GIBARN O=C(NCc1cc(F)ccc1Br)c1ccc([N+](=O)[O-])cc1Cl ZINC000055817438 823048036 /nfs/dbraw/zinc/04/80/36/823048036.db2.gz IFWSGOKRQPLELB-UHFFFAOYSA-N 0 0 387.592 4.080 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1F)N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000056749004 823206404 /nfs/dbraw/zinc/20/64/04/823206404.db2.gz GDDMSRMWNNNRLJ-UHFFFAOYSA-N 0 0 383.354 4.284 50 5 GIBARN CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 ZINC000002835571 817402547 /nfs/dbraw/zinc/40/25/47/817402547.db2.gz HSWNJEIUOWKKHB-UHFFFAOYSA-N 0 0 391.811 4.004 50 5 GIBARN C[C@@]12C[C@@H](NC(=S)N1c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1O2 ZINC000002963608 817409174 /nfs/dbraw/zinc/40/91/74/817409174.db2.gz VYIWYZRTLQFYGZ-RHSMWYFYSA-N 0 0 375.837 4.183 50 5 GIBARN CC(C)[C@H]1N=C2c3ccccc3N=C(SCc3ccc([N+](=O)[O-])cc3)N2C1=O ZINC000002965402 817409223 /nfs/dbraw/zinc/40/92/23/817409223.db2.gz VQVQXCQBLFOLTC-QGZVFWFLSA-N 0 0 394.456 4.143 50 5 GIBARN COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000002971501 817409286 /nfs/dbraw/zinc/40/92/86/817409286.db2.gz QYPKOGOVCQJEGT-VMPITWQZSA-N 0 0 377.194 4.018 50 5 GIBARN C[C@@H]1CCCN(C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)C1 ZINC000003019643 817411642 /nfs/dbraw/zinc/41/16/42/817411642.db2.gz LZVAZGCUOFPEGX-CYBMUJFWSA-N 0 0 385.376 4.167 50 5 GIBARN Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)NCc1ccccc1 ZINC000003027713 817412233 /nfs/dbraw/zinc/41/22/33/817412233.db2.gz FEFIPGBIQUHHFL-UHFFFAOYSA-N 0 0 378.815 4.233 50 5 GIBARN CC(C)(C)c1ccc(NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000003276363 817430718 /nfs/dbraw/zinc/43/07/18/817430718.db2.gz QVFBXKCSGRHIBD-KPKJPENVSA-N 0 0 382.416 4.087 50 5 GIBARN CC1CCC(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000003431897 817454788 /nfs/dbraw/zinc/45/47/88/817454788.db2.gz ILTNCKZGHSDMPY-UHFFFAOYSA-N 0 0 376.400 4.401 50 5 GIBARN Cc1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c(C)n1Cc1ccccc1 ZINC000003446210 817457444 /nfs/dbraw/zinc/45/74/44/817457444.db2.gz ORAVFKRFYRINCT-UHFFFAOYSA-N 0 0 382.391 4.462 50 5 GIBARN CC(C)CCNC(=O)CSc1nc2ccccc2c2nc3ccccc3n21 ZINC000003489556 817467939 /nfs/dbraw/zinc/46/79/39/817467939.db2.gz ZUDXLACIQOOXFE-UHFFFAOYSA-N 0 0 378.501 4.290 50 5 GIBARN COc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)c(OC)c1 ZINC000004174119 817508148 /nfs/dbraw/zinc/50/81/48/817508148.db2.gz ZIQMEGVNOYCPQU-UHFFFAOYSA-N 0 0 391.430 4.049 50 5 GIBARN C[C@H](OC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000007778241 817914121 /nfs/dbraw/zinc/91/41/21/817914121.db2.gz AZZPILFTUMVBDP-YYAZQSBSSA-N 0 0 383.444 4.325 50 5 GIBARN C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 ZINC000007954007 817967987 /nfs/dbraw/zinc/96/79/87/817967987.db2.gz UPEZNTBHWZAFFK-CQSZACIVSA-N 0 0 387.867 4.342 50 5 GIBARN Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c12 ZINC000022239830 818784872 /nfs/dbraw/zinc/78/48/72/818784872.db2.gz VBXUAFNEUVNLEE-UHFFFAOYSA-N 0 0 392.346 4.498 50 5 GIBARN C[C@@H](OC(=O)c1nn(-c2ccccc2)c2c1CCC2)c1ccccc1[N+](=O)[O-] ZINC000058393720 823385572 /nfs/dbraw/zinc/38/55/72/823385572.db2.gz XPXDCUXKMHWVBW-CQSZACIVSA-N 0 0 377.400 4.187 50 5 GIBARN O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000031265555 820781429 /nfs/dbraw/zinc/78/14/29/820781429.db2.gz ZSNNLRRIDUSXHT-UHFFFAOYSA-N 0 0 376.372 4.491 50 5 GIBARN C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000040068786 821130313 /nfs/dbraw/zinc/13/03/13/821130313.db2.gz KOKCALJKFGKUDK-CVEARBPZSA-N 0 0 393.447 4.244 50 5 GIBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2C1=Cc2ccccc2OC1 ZINC000409415362 231203268 /nfs/dbraw/zinc/20/32/68/231203268.db2.gz CPIFPTJVFUDYDJ-UHFFFAOYSA-N 0 0 385.379 4.212 50 5 GIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1cccc(Cl)c1 ZINC000017146247 210205621 /nfs/dbraw/zinc/20/56/21/210205621.db2.gz ZFJXLJDGJQYGNE-UHFFFAOYSA-N 0 0 375.797 4.411 50 5 GIBARN Cn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 ZINC000013546629 210067003 /nfs/dbraw/zinc/06/70/03/210067003.db2.gz ZVUPADFRXKAAJF-ZDLGFXPLSA-N 0 0 393.424 4.323 50 5 GIBARN Cc1cc(NC(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)c([N+](=O)[O-])cc1C ZINC000012996717 210044104 /nfs/dbraw/zinc/04/41/04/210044104.db2.gz ALCHCUXUFBEWCV-GFCCVEGCSA-N 0 0 386.379 4.058 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccc3ccccc3c2)c1C ZINC000012976823 210037279 /nfs/dbraw/zinc/03/72/79/210037279.db2.gz MAANDPFNBYYGTD-UHFFFAOYSA-N 0 0 377.444 4.435 50 5 GIBARN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c2cnn(Cc3cccs3)c2n1 ZINC000012906166 210025936 /nfs/dbraw/zinc/02/59/36/210025936.db2.gz WSFVNTFTXYAWQK-UHFFFAOYSA-N 0 0 393.428 4.010 50 5 GIBARN C[C@H](OC(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(SC(F)F)cc1 ZINC000012845749 210016400 /nfs/dbraw/zinc/01/64/00/210016400.db2.gz AKUCHXMKNUQZOY-JTQLQIEISA-N 0 0 396.371 4.094 50 5 GIBARN 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COc1ccc(C)cc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000007952371 136195319 /nfs/dbraw/zinc/19/53/19/136195319.db2.gz VDOGRIFAWOUIQQ-OAHLLOKOSA-N 0 0 383.448 4.400 50 5 GIBARN O=C(OCc1nnsc1Cl)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000027925501 221662298 /nfs/dbraw/zinc/66/22/98/221662298.db2.gz TYMIUPKLYBWMTI-UHFFFAOYSA-N 0 0 390.808 4.200 50 5 GIBARN COc1ccc(N(Cc2cccs2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008448608 533986038 /nfs/dbraw/zinc/98/60/38/533986038.db2.gz DBKIBHJZKOJAEU-UHFFFAOYSA-N 0 0 398.440 4.277 50 5 GIBARN CC(C)c1cc(N(C)C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)n[nH]1 ZINC000072295753 570219392 /nfs/dbraw/zinc/21/93/92/570219392.db2.gz UQWOFQQRAOPOGL-UHFFFAOYSA-N 0 0 379.420 4.462 50 5 GIBARN CC(=O)NCCCc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000048354307 570241303 /nfs/dbraw/zinc/24/13/03/570241303.db2.gz BAZSPUGSKAQYDW-UHFFFAOYSA-N 0 0 381.457 4.454 50 5 GIBARN O=C(Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H]1c1cccc(Br)c1 ZINC000048366299 570245840 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5 GIBARN CCOc1ccc(OCC)c(NC(=O)CSc2ccsc2[N+](=O)[O-])c1 ZINC000005136392 570424696 /nfs/dbraw/zinc/42/46/96/570424696.db2.gz GAKHYMVBONPASF-UHFFFAOYSA-N 0 0 382.463 4.185 50 5 GIBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027533609 570435094 /nfs/dbraw/zinc/43/50/94/570435094.db2.gz QYMUVFAEXMQIGF-UHFFFAOYSA-N 0 0 387.395 4.010 50 5 GIBARN O=C(NC1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)C1CCCCC1 ZINC000005196927 570499925 /nfs/dbraw/zinc/49/99/25/570499925.db2.gz ACVQSIHQUZXTGY-HKWRFOASSA-N 0 0 399.491 4.081 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O ZINC000005269909 570545924 /nfs/dbraw/zinc/54/59/24/570545924.db2.gz KGPWLWFOBNBGIL-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN O=C(/C=C/c1ccco1)Nc1ccc([N+](=O)[O-])c(NC(=O)/C=C/c2ccco2)c1 ZINC000005513965 570623132 /nfs/dbraw/zinc/62/31/32/570623132.db2.gz YBZGTAVOSUBELB-KZZDLZNXSA-N 0 0 393.355 4.085 50 5 GIBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1 ZINC000064980069 570624382 /nfs/dbraw/zinc/62/43/82/570624382.db2.gz DGEOXSZSZDJLBR-UHFFFAOYSA-N 0 0 376.376 4.172 50 5 GIBARN COC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000005526399 570624801 /nfs/dbraw/zinc/62/48/01/570624801.db2.gz ZYJZBNFZAKUPNS-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000036347285 570629248 /nfs/dbraw/zinc/62/92/48/570629248.db2.gz BPIJBPGMBYMFPU-OAQYLSRUSA-N 0 0 392.415 4.300 50 5 GIBARN COc1ccc(CN2CCCn3cccc3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036347763 570630462 /nfs/dbraw/zinc/63/04/62/570630462.db2.gz KHHMEQDNAANMER-QFIPXVFZSA-N 0 0 377.444 4.400 50 5 GIBARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006852682 570649409 /nfs/dbraw/zinc/64/94/09/570649409.db2.gz CBJQLCDMMWZZRR-SNVBAGLBSA-N 0 0 398.448 4.302 50 5 GIBARN O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000003122776 570675658 /nfs/dbraw/zinc/67/56/58/570675658.db2.gz 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CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N[C@H](C)c3ccccc3)c2)CC1 ZINC000004687549 570828250 /nfs/dbraw/zinc/82/82/50/570828250.db2.gz HKLDEQIBNVTKDL-QGZVFWFLSA-N 0 0 396.491 4.217 50 5 GIBARN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004683859 570830004 /nfs/dbraw/zinc/83/00/04/570830004.db2.gz MCXCYBTUVPSLOJ-IRXDYDNUSA-N 0 0 397.406 4.026 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H]1CCCc2ccccc21 ZINC000012528173 570832510 /nfs/dbraw/zinc/83/25/10/570832510.db2.gz ZNGBRYJKCOJFDO-IBGZPJMESA-N 0 0 396.490 4.391 50 5 GIBARN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCCc1ccc(Cl)cc1 ZINC000239539170 570832926 /nfs/dbraw/zinc/83/29/26/570832926.db2.gz AVQBXPHJTFIPRJ-UHFFFAOYSA-N 0 0 385.222 4.332 50 5 GIBARN O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000004526103 570840986 /nfs/dbraw/zinc/84/09/86/570840986.db2.gz DRRNVRXBBOCFNG-RQZCQDPDSA-N 0 0 379.397 4.313 50 5 GIBARN CCOc1cc(C=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000004526033 570842960 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4.085 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000005736203 570913404 /nfs/dbraw/zinc/91/34/04/570913404.db2.gz JWXUQRHGKNCBNX-NFBKMPQASA-N 0 0 399.406 4.347 50 5 GIBARN COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000004079010 570931163 /nfs/dbraw/zinc/93/11/63/570931163.db2.gz SWMYYTXEZBXWTR-UHFFFAOYSA-N 0 0 390.808 4.028 50 5 GIBARN O=C(NCc1cccc(COCc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000032925135 570935192 /nfs/dbraw/zinc/93/51/92/570935192.db2.gz SEGACYUGZIBCJD-UHFFFAOYSA-N 0 0 376.412 4.242 50 5 GIBARN O=C(c1ccccc1)c1ccc(NCc2ccc(-n3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000032935542 570947842 /nfs/dbraw/zinc/94/78/42/570947842.db2.gz VRUNSSNNZCNDKW-UHFFFAOYSA-N 0 0 399.410 4.019 50 5 GIBARN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000032936881 570948717 /nfs/dbraw/zinc/94/87/17/570948717.db2.gz UQCPDXDAOXNCLD-UHFFFAOYSA-N 0 0 399.344 4.002 50 5 GIBARN O=C1OC(c2cccc3ccccc32)=N/C1=C\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000214325465 570955344 /nfs/dbraw/zinc/95/53/44/570955344.db2.gz HALKHUNEFNTYSE-YVLHZVERSA-N 0 0 389.323 4.001 50 5 GIBARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000004740483 570958312 /nfs/dbraw/zinc/95/83/12/570958312.db2.gz JGBWQZVAXYCMKG-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)C12CC3CC(CC(C3)C1)C2 ZINC000004143509 570963746 /nfs/dbraw/zinc/96/37/46/570963746.db2.gz OKNRVQJOPXCBCY-UHFFFAOYSA-N 0 0 384.461 4.268 50 5 GIBARN Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC000025834963 570975140 /nfs/dbraw/zinc/97/51/40/570975140.db2.gz LBTGAVGFDZHIPN-GFCCVEGCSA-N 0 0 380.404 4.150 50 5 GIBARN COc1ccc(NC(=O)Cc2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000037555143 571030991 /nfs/dbraw/zinc/03/09/91/571030991.db2.gz POKFXGZRZXHXOB-UHFFFAOYSA-N 0 0 391.427 4.397 50 5 GIBARN CSc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1[N+](=O)[O-] ZINC000012781581 571035079 /nfs/dbraw/zinc/03/50/79/571035079.db2.gz 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COc1ccc(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000001446349 209328508 /nfs/dbraw/zinc/32/85/08/209328508.db2.gz VYIZNXSQRJEMGG-UHFFFAOYSA-N 0 0 386.351 4.353 50 5 GIBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)OC)C1 ZINC000001218051 209315716 /nfs/dbraw/zinc/31/57/16/209315716.db2.gz CAJDKXBGBBPTPR-NSHDSACASA-N 0 0 388.445 4.210 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000001207319 209314604 /nfs/dbraw/zinc/31/46/04/209314604.db2.gz JOORPZXOTPQOTD-UHFFFAOYSA-N 0 0 389.367 4.421 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1ccc(Cl)cc1Cl ZINC000000971068 209284998 /nfs/dbraw/zinc/28/49/98/209284998.db2.gz UZKWVDHPYIQLQO-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN Cc1nc(S(=O)(=O)c2ccccc2)c(SCc2ccc([N+](=O)[O-])cc2)o1 ZINC000000950628 209283427 /nfs/dbraw/zinc/28/34/27/209283427.db2.gz SDFIXWMNWDJYHH-UHFFFAOYSA-N 0 0 390.442 4.016 50 5 GIBARN Cc1sc2nc3c4ccccc4c(NCc4ccccn4)nn3c(=O)c2c1C ZINC000000947671 209281621 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381.354 4.283 50 5 GIBARN CCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000058158107 211776869 /nfs/dbraw/zinc/77/68/69/211776869.db2.gz QXQSFYHQYNCJIA-CYBMUJFWSA-N 0 0 389.839 4.128 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 ZINC000004368226 211542989 /nfs/dbraw/zinc/54/29/89/211542989.db2.gz XVCAWBJNWONTKW-GFCCVEGCSA-N 0 0 378.812 4.280 50 5 GIBARN C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(Cl)c1 ZINC000045797505 211452439 /nfs/dbraw/zinc/45/24/39/211452439.db2.gz IQMWGHDPIJMZBJ-SNVBAGLBSA-N 0 0 389.260 4.082 50 5 GIBARN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100503679 211387415 /nfs/dbraw/zinc/38/74/15/211387415.db2.gz FUONGWBTJSAQBD-HDICACEKSA-N 0 0 382.441 4.426 50 5 GIBARN CCCCn1nc(C)c(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)OCC)c1Cl ZINC000097999040 211376203 /nfs/dbraw/zinc/37/62/03/211376203.db2.gz MFQFIYZTTIHJNC-FPLPWBNLSA-N 0 0 392.843 4.295 50 5 GIBARN CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000095460632 211244022 /nfs/dbraw/zinc/24/40/22/211244022.db2.gz DADLOKYPHROISG-SUMWQHHRSA-N 0 0 386.473 4.390 50 5 GIBARN CC(=O)c1ccc(NC[C@H](c2c(F)cccc2Cl)N(C)C)c([N+](=O)[O-])c1 ZINC000057697198 210901507 /nfs/dbraw/zinc/90/15/07/210901507.db2.gz ONQQPQIKUYDQBL-QGZVFWFLSA-N 0 0 379.819 4.305 50 5 GIBARN CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc12 ZINC000022738036 210421672 /nfs/dbraw/zinc/42/16/72/210421672.db2.gz IJFXFCGMDOHZRP-CYBMUJFWSA-N 0 0 396.399 4.060 50 5 GIBARN O=c1c2ccc[nH]c-2c(Nc2cc([N+](=O)[O-])ccc2Cl)n1Cc1ccccc1 ZINC000021107238 210376676 /nfs/dbraw/zinc/37/66/76/210376676.db2.gz OQABTIWQFNCDGB-LJQANCHMSA-N 0 0 394.818 4.410 50 5 GIBARN O=c1[nH]c2ccccc2n1CCCSc1nc2cc([N+](=O)[O-])ccc2s1 ZINC000020120563 210317848 /nfs/dbraw/zinc/31/78/48/210317848.db2.gz PMYRMLMCQFGOKF-UHFFFAOYSA-N 0 0 386.458 4.030 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1N1CCCCC1=O ZINC000005441824 136194858 /nfs/dbraw/zinc/19/48/58/136194858.db2.gz JJFAMEYBYPFAML-UHFFFAOYSA-N 0 0 387.823 4.326 50 5 GIBARN CN(Cc1ccccc1)c1ccccc1NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000048332198 523353898 /nfs/dbraw/zinc/35/38/98/523353898.db2.gz WROSCWNSYJUMJM-UHFFFAOYSA-N 0 0 375.428 4.412 50 5 GIBARN O=C(c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000048274600 570229614 /nfs/dbraw/zinc/22/96/14/570229614.db2.gz PDDTWMWPSOQNKN-QUCCMNQESA-N 0 0 381.432 4.122 50 5 GIBARN COc1ccc(CCNC(=O)c2oc(-c3ccc([N+](=O)[O-])cc3)cc2C)cc1 ZINC000011690003 570328031 /nfs/dbraw/zinc/32/80/31/570328031.db2.gz OMJCYJVTLCTCJW-UHFFFAOYSA-N 0 0 380.400 4.144 50 5 GIBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000000799278 570331542 /nfs/dbraw/zinc/33/15/42/570331542.db2.gz KXKBMPMIVLYDJI-UHFFFAOYSA-N 0 0 382.825 4.356 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(Br)cc1 ZINC000004905181 570359649 /nfs/dbraw/zinc/35/96/49/570359649.db2.gz PHAKUPBGNWETDS-RUDMXATFSA-N 0 0 377.194 4.018 50 5 GIBARN Cc1cc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)ccc1[N+](=O)[O-] ZINC000004958768 570381868 /nfs/dbraw/zinc/38/18/68/570381868.db2.gz BVXKREIKMIMNSN-UHFFFAOYSA-N 0 0 380.404 4.004 50 5 GIBARN COc1ccc(C)cc1NC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006331277 570393756 /nfs/dbraw/zinc/39/37/56/570393756.db2.gz NSKDQAPLDKZZBI-NSHDSACASA-N 0 0 397.353 4.370 50 5 GIBARN O=[N+]([O-])c1cccc(/C=C2\CCC[C@@H]3C2=NN[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000005042920 570404626 /nfs/dbraw/zinc/40/46/26/570404626.db2.gz RGRTYFKGIAIUIH-BUAKIRPOSA-N 0 0 378.388 4.387 50 5 GIBARN O=[N+]([O-])c1ccc(/C=C2\CCC[C@H]3C2=NN[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005042913 570404712 /nfs/dbraw/zinc/40/47/12/570404712.db2.gz SJMNREBVDHZEOD-WIGMZFAJSA-N 0 0 378.388 4.387 50 5 GIBARN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000013011921 570417628 /nfs/dbraw/zinc/41/76/28/570417628.db2.gz GZNQKOWKGDRVFS-UHFFFAOYSA-N 0 0 381.624 4.356 50 5 GIBARN CCC(=O)c1ccc(OC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000006623574 570507274 /nfs/dbraw/zinc/50/72/74/570507274.db2.gz QGABLVAILSWDOS-UHFFFAOYSA-N 0 0 382.416 4.397 50 5 GIBARN COc1ccccc1OCC(=O)Nc1ccc2c(c1)oc1c(F)cccc1c2=O ZINC000006660327 570524121 /nfs/dbraw/zinc/52/41/21/570524121.db2.gz VSVHVVMIVRDYRB-UHFFFAOYSA-N 0 0 393.370 4.111 50 5 GIBARN Cc1cccc2c(=O)c3c(O)cc(OCc4ccc([N+](=O)[O-])cc4)cc3oc12 ZINC000005324388 570553429 /nfs/dbraw/zinc/55/34/29/570553429.db2.gz ZHKCOIOHTDIOED-UHFFFAOYSA-N 0 0 377.352 4.447 50 5 GIBARN COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=C2)N(C)c2ccc([N+](=O)[O-])cc2C1(C)C ZINC000004321274 570561153 /nfs/dbraw/zinc/56/11/53/570561153.db2.gz KOOHCYNKZSLPNL-FQEVSTJZSA-N 0 0 397.387 4.041 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N(Cc1ccccc1)c1ccccc1O ZINC000004593704 570624764 /nfs/dbraw/zinc/62/47/64/570624764.db2.gz OXVZSTHXIJYTMQ-UHFFFAOYSA-N 0 0 393.355 4.056 50 5 GIBARN O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1cccc([N+](=O)[O-])c1 ZINC000036394771 570678800 /nfs/dbraw/zinc/67/88/00/570678800.db2.gz BJVWVLHUKVADAG-UHFFFAOYSA-N 0 0 387.848 4.477 50 5 GIBARN CC(C)C(=O)N(c1ccccc1)C1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000034675623 570678827 /nfs/dbraw/zinc/67/88/27/570678827.db2.gz UYSGIYIYJAIJQR-UHFFFAOYSA-N 0 0 381.476 4.248 50 5 GIBARN O=C(Nc1nc2c(cccc2Br)s1)c1cccc([N+](=O)[O-])c1 ZINC000004348306 570680457 /nfs/dbraw/zinc/68/04/57/570680457.db2.gz USRDQMLWQGNDKV-UHFFFAOYSA-N 0 0 378.207 4.219 50 5 GIBARN C[C@H](Sc1nc2ccccc2n1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006929877 570709052 /nfs/dbraw/zinc/70/90/52/570709052.db2.gz MWVZLBXDWBFCCE-NSHDSACASA-N 0 0 381.417 4.385 50 5 GIBARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12 ZINC000004372500 570719373 /nfs/dbraw/zinc/71/93/73/570719373.db2.gz AQNMCDPYPROWTM-MLCQCVOFSA-N 0 0 397.434 4.071 50 5 GIBARN C[C@@H](Sc1ncnc2ccccc21)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006991361 570730769 /nfs/dbraw/zinc/73/07/69/570730769.db2.gz YCWPBPOFOPIQSM-LLVKDONJSA-N 0 0 379.401 4.441 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 ZINC000007002963 570737382 /nfs/dbraw/zinc/73/73/82/570737382.db2.gz JLEZORQRSNSRNC-OAHLLOKOSA-N 0 0 398.463 4.033 50 5 GIBARN O=[N+]([O-])c1ccccc1CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000025217762 570741233 /nfs/dbraw/zinc/74/12/33/570741233.db2.gz RQHDUQVPBWEBGV-UHFFFAOYSA-N 0 0 386.404 4.129 50 5 GIBARN CC1CCN(C(=S)Oc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1 ZINC000004413878 570749495 /nfs/dbraw/zinc/74/94/95/570749495.db2.gz UJQQUPDBKKKQAQ-UHFFFAOYSA-N 0 0 399.472 4.243 50 5 GIBARN O=[N+]([O-])c1cnc(N[C@H](c2cccs2)c2ccc(F)cc2)nc1NC1CC1 ZINC000025494136 570754168 /nfs/dbraw/zinc/75/41/68/570754168.db2.gz YAEBMNXEJZEQIZ-INIZCTEOSA-N 0 0 385.424 4.361 50 5 GIBARN CCCCOc1ccc(C(=O)Nc2cc3cccc([N+](=O)[O-])c3oc2=O)cc1 ZINC000004644714 570777359 /nfs/dbraw/zinc/77/73/59/570777359.db2.gz VCLJZQYTZDDUOF-UHFFFAOYSA-N 0 0 382.372 4.132 50 5 GIBARN O=C1NC2(CCCCCC2)C(=O)N1Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000007060834 570777335 /nfs/dbraw/zinc/77/73/35/570777335.db2.gz FRHVQMGJECKLOH-UHFFFAOYSA-N 0 0 390.439 4.091 50 5 GIBARN COc1cc(C(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC ZINC000007067446 570779399 /nfs/dbraw/zinc/77/93/99/570779399.db2.gz ATDBOBBKOLUDQV-NSHDSACASA-N 0 0 378.812 4.099 50 5 GIBARN COc1ccc(/C=C/c2nn(-c3ccc([N+](=O)[O-])cc3)c3c2ccccc3=O)cc1 ZINC000007089646 570784374 /nfs/dbraw/zinc/78/43/74/570784374.db2.gz OBLYVHFKDNNGLU-OVCLIPMQSA-N 0 0 399.406 4.473 50 5 GIBARN COc1cccc(C(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)c1OC ZINC000004479355 570801664 /nfs/dbraw/zinc/80/16/64/570801664.db2.gz UDSRABSDNLNEKL-UHFFFAOYSA-N 0 0 391.430 4.049 50 5 GIBARN O=C(COc1ccc(C2CCCCC2)cc1)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004653421 570805738 /nfs/dbraw/zinc/80/57/38/570805738.db2.gz FTFHGGSPJONKRM-UHFFFAOYSA-N 0 0 397.427 4.447 50 5 GIBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cc(F)ccc1C ZINC000004660030 570810109 /nfs/dbraw/zinc/81/01/09/570810109.db2.gz FYJLVLRJFMFFEG-UHFFFAOYSA-N 0 0 390.414 4.250 50 5 GIBARN O=C(c1ccccc1)c1ccc(NCCc2cn3c(n2)CCCC3)c([N+](=O)[O-])c1 ZINC000012520263 570827129 /nfs/dbraw/zinc/82/71/29/570827129.db2.gz OWOUPXDKYDOKBG-UHFFFAOYSA-N 0 0 390.443 4.013 50 5 GIBARN O=C1CCCC(=O)N1c1ccc(NCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000004684462 570830246 /nfs/dbraw/zinc/83/02/46/570830246.db2.gz UCRIYHUAZFODQK-UHFFFAOYSA-N 0 0 389.411 4.404 50 5 GIBARN O=C(CCNc1ccccc1[N+](=O)[O-])N[C@H](Cc1ccccc1)c1ccccc1 ZINC000012527779 570832259 /nfs/dbraw/zinc/83/22/59/570832259.db2.gz BKWFYBFSGNDHMA-OAQYLSRUSA-N 0 0 389.455 4.497 50 5 GIBARN CCc1cc(NC[C@H](O)c2ccc(Cl)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000059984962 570842695 /nfs/dbraw/zinc/84/26/95/570842695.db2.gz PENDEKHXOSMDNH-SFHVURJKSA-N 0 0 398.850 4.413 50 5 GIBARN COc1ccccc1Nc1nc(Nc2cccc(C(C)=O)c2)nc(C)c1[N+](=O)[O-] ZINC000004719474 570857088 /nfs/dbraw/zinc/85/70/88/570857088.db2.gz GEPKSNSDFGAWKY-UHFFFAOYSA-N 0 0 393.403 4.392 50 5 GIBARN O=C(CCCNc1ccc([N+](=O)[O-])cc1)NCCc1ccc(C(F)(F)F)cc1 ZINC000012587569 570882744 /nfs/dbraw/zinc/88/27/44/570882744.db2.gz YSOHHFGGJUITOW-UHFFFAOYSA-N 0 0 395.381 4.165 50 5 GIBARN C[C@H]1c2ccsc2CCN1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000032888528 570885937 /nfs/dbraw/zinc/88/59/37/570885937.db2.gz XPDLNZJGKMNJRW-HNNXBMFYSA-N 0 0 388.492 4.362 50 5 GIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(N(C)C)c([N+](=O)[O-])c3)cc2)cs1 ZINC000012606763 570888778 /nfs/dbraw/zinc/88/87/78/570888778.db2.gz OAQHRBDBFAKHLM-UHFFFAOYSA-N 0 0 396.472 4.023 50 5 GIBARN NC(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000022420793 570890875 /nfs/dbraw/zinc/89/08/75/570890875.db2.gz LIQHHLVLRMCOKI-UHFFFAOYSA-N 0 0 380.429 4.043 50 5 GIBARN O=C(CSCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000004573099 570894094 /nfs/dbraw/zinc/89/40/94/570894094.db2.gz DTTPBKPFTQEPAC-UHFFFAOYSA-N 0 0 395.440 4.058 50 5 GIBARN NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000014659511 570908650 /nfs/dbraw/zinc/90/86/50/570908650.db2.gz HPRZKTKMKWUAKJ-MDZDMXLPSA-N 0 0 393.424 4.074 50 5 GIBARN CCOc1ccc(C(=O)OCc2nc(-c3cccs3)oc2C)cc1[N+](=O)[O-] ZINC000011254700 570910786 /nfs/dbraw/zinc/91/07/86/570910786.db2.gz HYVXGHQLBFSJQI-UHFFFAOYSA-N 0 0 388.401 4.375 50 5 GIBARN Cc1ccc([C@@H]2CCCCCN2C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)o1 ZINC000170634379 570928516 /nfs/dbraw/zinc/92/85/16/570928516.db2.gz IPAGKVHSTRGKGZ-IBGZPJMESA-N 0 0 394.431 4.439 50 5 GIBARN O=[N+]([O-])c1cccc(S(=O)(=O)N(Cc2cccs2)Cc2cccs2)c1 ZINC000194771292 571018361 /nfs/dbraw/zinc/01/83/61/571018361.db2.gz XBSVJCJOEPBVDA-UHFFFAOYSA-N 0 0 394.499 4.109 50 5 GIBARN CCCCc1nc2cc(NC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])ccc2[nH]1 ZINC000065904098 571019522 /nfs/dbraw/zinc/01/95/22/571019522.db2.gz IRWYIKWKDYNQJE-UHFFFAOYSA-N 0 0 398.419 4.083 50 5 GIBARN CC(C)C(=O)Nc1sc2c(c1C(=O)OCc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000007735766 571027702 /nfs/dbraw/zinc/02/77/02/571027702.db2.gz OSNNXIFQBSUUHN-UHFFFAOYSA-N 0 0 388.445 4.097 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)NC2(c3ccc(Br)cc3)CC2)cc1 ZINC000066010911 571038311 /nfs/dbraw/zinc/03/83/11/571038311.db2.gz SWCIFUTVZXCGMZ-UHFFFAOYSA-N 0 0 392.278 4.333 50 5 GIBARN CCCOc1ccccc1/C=C1\N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000002376802 817386240 /nfs/dbraw/zinc/38/62/40/817386240.db2.gz YKWJTSFASRQHFU-YBEGLDIGSA-N 0 0 386.791 4.382 50 5 GIBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSCc1c(F)cccc1Cl ZINC000002813387 817402454 /nfs/dbraw/zinc/40/24/54/817402454.db2.gz ZVTHLMNJTQUIDA-RMKNXTFCSA-N 0 0 394.855 4.450 50 5 GIBARN C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002838215 817403139 /nfs/dbraw/zinc/40/31/39/817403139.db2.gz IDETUEDQJFLGIP-OAHLLOKOSA-N 0 0 389.411 4.338 50 5 GIBARN CC[C@H](Oc1ccccc1)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000002845148 817403515 /nfs/dbraw/zinc/40/35/15/817403515.db2.gz VCPHWENWRYJJSB-HNNXBMFYSA-N 0 0 384.417 4.229 50 5 GIBARN COc1ccc(Br)cc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000002886319 817404046 /nfs/dbraw/zinc/40/40/46/817404046.db2.gz VEWFNLHFDVBUBM-UHFFFAOYSA-N 0 0 376.166 4.083 50 5 GIBARN O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NCc1ccccc1 ZINC000002890913 817404880 /nfs/dbraw/zinc/40/48/80/817404880.db2.gz KHWXPTKFVMWCIA-UHFFFAOYSA-N 0 0 385.470 4.127 50 5 GIBARN O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000003008077 817410609 /nfs/dbraw/zinc/41/06/09/817410609.db2.gz WLAHQUAKOICTJT-UHFFFAOYSA-N 0 0 386.477 4.436 50 5 GIBARN CCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000003191680 817421135 /nfs/dbraw/zinc/42/11/35/817421135.db2.gz BACKQXHOMDYIRI-UHFFFAOYSA-N 0 0 375.431 4.431 50 5 GIBARN CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000003525772 817478617 /nfs/dbraw/zinc/47/86/17/817478617.db2.gz FFKJQUBKPKREMX-UHFFFAOYSA-N 0 0 380.416 4.068 50 5 GIBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(=O)c2ccccc2o1 ZINC000004079321 817501246 /nfs/dbraw/zinc/50/12/46/817501246.db2.gz YMSGXXBOWSOEKT-UHFFFAOYSA-N 0 0 393.380 4.077 50 5 GIBARN Cc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)C(F)F)cc2[N+](=O)[O-])cc1 ZINC000004193097 817509169 /nfs/dbraw/zinc/50/91/69/817509169.db2.gz IBDIPERALKKVMK-UHFFFAOYSA-N 0 0 392.330 4.278 50 5 GIBARN O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000004258393 817514366 /nfs/dbraw/zinc/51/43/66/817514366.db2.gz FNQPPDQRNMUHTA-UHFFFAOYSA-N 0 0 399.410 4.159 50 5 GIBARN O=[N+]([O-])c1cc(-c2noc(-c3ccccn3)n2)ccc1NCCc1ccccc1 ZINC000020894438 818637310 /nfs/dbraw/zinc/63/73/10/818637310.db2.gz DWKLNNIQEZOCML-UHFFFAOYSA-N 0 0 387.399 4.361 50 5 GIBARN Cc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)c([N+](=O)[O-])c1 ZINC000021105990 818653680 /nfs/dbraw/zinc/65/36/80/818653680.db2.gz WJLMVTSEYXTZTI-SFHVURJKSA-N 0 0 380.429 4.126 50 5 GIBARN COc1ccc(C(C)=O)cc1COC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000021133497 818656912 /nfs/dbraw/zinc/65/69/12/818656912.db2.gz LDSKRSFRXUNYAW-ZDUSSCGKSA-N 0 0 389.429 4.030 50 5 GIBARN CN(C(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCc2ccccc21 ZINC000029258468 820421842 /nfs/dbraw/zinc/42/18/42/820421842.db2.gz WWHQMEUBLCAFRU-XTXLJPNXSA-N 0 0 394.427 4.011 50 5 GIBARN Cc1cc([C@@H]2CCCN2c2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])no1 ZINC000029527203 820469079 /nfs/dbraw/zinc/46/90/79/820469079.db2.gz WINAFGLMEAQDGX-SFHVURJKSA-N 0 0 377.400 4.464 50 5 GIBARN C[C@H](NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 ZINC000040068785 821130252 /nfs/dbraw/zinc/13/02/52/821130252.db2.gz KOKCALJKFGKUDK-HOTGVXAUSA-N 0 0 393.447 4.244 50 5 GIBARN COc1cc([C@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCC(C)C ZINC000040087563 821133953 /nfs/dbraw/zinc/13/39/53/821133953.db2.gz LNIQYIQRUNVKJR-HNNXBMFYSA-N 0 0 386.448 4.438 50 5 GIBARN Cc1cc(C(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000040089259 821134982 /nfs/dbraw/zinc/13/49/82/821134982.db2.gz FREFEJFWLFMPMU-LJQANCHMSA-N 0 0 387.867 4.124 50 5 GIBARN Cc1c(CN2C(=O)N[C@@](C)(c3cccc4ccccc43)C2=O)cccc1[N+](=O)[O-] ZINC000040116368 821141137 /nfs/dbraw/zinc/14/11/37/821141137.db2.gz QEITZTAXANARAS-QFIPXVFZSA-N 0 0 389.411 4.024 50 5 GIBARN O=C(Nc1ccccc1[N+](=O)[O-])N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000040139296 821146423 /nfs/dbraw/zinc/14/64/23/821146423.db2.gz XFEOXBGHRIHIRG-LJQANCHMSA-N 0 0 390.399 4.096 50 5 GIBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(C)c4oc32)cc2c1OCO2 ZINC000218396637 222587015 /nfs/dbraw/zinc/58/70/15/222587015.db2.gz UNOBIBSWFCZHDV-UHFFFAOYSA-N 0 0 389.367 4.276 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(OCCSc2nnc3sc4ccccc4n23)c1 ZINC000001746311 212255964 /nfs/dbraw/zinc/25/59/64/212255964.db2.gz HIDQZLADKWLFAB-UHFFFAOYSA-N 0 0 386.458 4.332 50 5 GIBARN CCOc1ccc2ccccc2c1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O ZINC000001433505 212244801 /nfs/dbraw/zinc/24/48/01/212244801.db2.gz JIEQKLVPMZEMSB-UYRXBGFRSA-N 0 0 388.379 4.491 50 5 GIBARN Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000001203557 212228508 /nfs/dbraw/zinc/22/85/08/212228508.db2.gz SRNMSEWNTZSKHY-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000001184080 212226835 /nfs/dbraw/zinc/22/68/35/212226835.db2.gz OTEMYYZMBHUIIC-UHFFFAOYSA-N 0 0 380.356 4.284 50 5 GIBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000001185426 212226730 /nfs/dbraw/zinc/22/67/30/212226730.db2.gz VFCGNNFKGHPFEF-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1 ZINC000001175286 212225802 /nfs/dbraw/zinc/22/58/02/212225802.db2.gz SQZHXFSZBRYROM-UHFFFAOYSA-N 0 0 375.793 4.121 50 5 GIBARN O=C(NC[C@H]1CCCO1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl ZINC000001140829 212221808 /nfs/dbraw/zinc/22/18/08/212221808.db2.gz YFFKWHBGEYEHEV-CYBMUJFWSA-N 0 0 392.864 4.308 50 5 GIBARN O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])n1nnc2ccccc21 ZINC000001122472 212220373 /nfs/dbraw/zinc/22/03/73/212220373.db2.gz LSHNZGLRRPBHIY-UHFFFAOYSA-N 0 0 376.397 4.179 50 5 GIBARN CCOC(=O)c1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1 ZINC000001111282 212217583 /nfs/dbraw/zinc/21/75/83/212217583.db2.gz VWBSJYDQGGUZKA-UHFFFAOYSA-N 0 0 382.416 4.222 50 5 GIBARN CC[C@H]1CCc2c(sc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2C(=O)OC)C1 ZINC000001112915 212218033 /nfs/dbraw/zinc/21/80/33/212218033.db2.gz YGMROJUGJUCLDP-NSHDSACASA-N 0 0 388.445 4.210 50 5 GIBARN CCSc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] ZINC000001067101 212212678 /nfs/dbraw/zinc/21/26/78/212212678.db2.gz CMURGPCEMQEFJG-UHFFFAOYSA-N 0 0 382.239 4.117 50 5 GIBARN COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc1-2 ZINC000001043264 212209544 /nfs/dbraw/zinc/20/95/44/212209544.db2.gz MEWBYPAPCQRBGI-UHFFFAOYSA-N 0 0 381.413 4.078 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(Cl)c1N1CCCCC1 ZINC000001065246 212212378 /nfs/dbraw/zinc/21/23/78/212212378.db2.gz YLOJPOAOZVRCDZ-UHFFFAOYSA-N 0 0 389.839 4.256 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CC[C@@H](C)C2 ZINC000000993968 212202285 /nfs/dbraw/zinc/20/22/85/212202285.db2.gz PSMJLWVJCNQVIN-LLVKDONJSA-N 0 0 388.445 4.210 50 5 GIBARN COc1ccc(C2(CNC(=O)c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1OC ZINC000000984872 212201487 /nfs/dbraw/zinc/20/14/87/212201487.db2.gz FCHXBLRWBSVJJK-UHFFFAOYSA-N 0 0 398.459 4.244 50 5 GIBARN Cc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1C ZINC000000959338 212200451 /nfs/dbraw/zinc/20/04/51/212200451.db2.gz NGUSHGYVPVMCOB-UHFFFAOYSA-N 0 0 383.429 4.353 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000000957941 212200377 /nfs/dbraw/zinc/20/03/77/212200377.db2.gz PTKMFJTZFWGGQL-UHFFFAOYSA-N 0 0 376.368 4.375 50 5 GIBARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000000828080 212187525 /nfs/dbraw/zinc/18/75/25/212187525.db2.gz GSMFIMMCIBEMDH-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN CCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000000826812 212186705 /nfs/dbraw/zinc/18/67/05/212186705.db2.gz XEDNUHBHHIIIAM-MRXNPFEDSA-N 0 0 381.417 4.062 50 5 GIBARN O=C(Nc1ccccc1)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 ZINC000000822309 212185914 /nfs/dbraw/zinc/18/59/14/212185914.db2.gz SMZKNTSOXYINQA-HMMYKYKNSA-N 0 0 387.395 4.004 50 5 GIBARN Cc1ccc(C(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000000671685 212172366 /nfs/dbraw/zinc/17/23/66/212172366.db2.gz WISMLHAZUUNLPR-UHFFFAOYSA-N 0 0 389.407 4.461 50 5 GIBARN CCOC1=N[C@@H]2Nc3ccc(Cl)cc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000245297612 212133856 /nfs/dbraw/zinc/13/38/56/212133856.db2.gz UUVRAYGXICFEBM-SQNIBIBYSA-N 0 0 386.839 4.037 50 5 GIBARN COc1ccc2occ(-c3c4c[nH]nc4nc4c5ccc(O)cc5oc43)c(=O)c2c1 ZINC000217827813 212113655 /nfs/dbraw/zinc/11/36/55/212113655.db2.gz DIQADOKMSQJCJS-UHFFFAOYSA-N 0 0 399.362 4.345 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(C3CCCCC3)nc21 ZINC000002224851 220510972 /nfs/dbraw/zinc/51/09/72/220510972.db2.gz FHXQBYSKIJPKNK-UHFFFAOYSA-N 0 0 399.494 4.344 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2[nH]1)Nc1ccc2ccccc2c1 ZINC000002252124 220515137 /nfs/dbraw/zinc/51/51/37/220515137.db2.gz YXGNWXXVGDFZOQ-UHFFFAOYSA-N 0 0 378.413 4.355 50 5 GIBARN CC[C@H](C)NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1 ZINC000003316051 220627200 /nfs/dbraw/zinc/62/72/00/220627200.db2.gz XXVMKMWLOLRXNC-DBTPVHCXSA-N 0 0 390.443 4.375 50 5 GIBARN CCOC(=O)c1cnc2c(OC)cccc2c1Nc1cc([N+](=O)[O-])ccc1OC ZINC000004192444 220691614 /nfs/dbraw/zinc/69/16/14/220691614.db2.gz KVKUHJHXYBOVJO-UHFFFAOYSA-N 0 0 397.387 4.081 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC[C@@H](Cn2cccc2)C1 ZINC000004306692 220703214 /nfs/dbraw/zinc/70/32/14/220703214.db2.gz XRVJVOCUGAZYTM-LBPRGKRZSA-N 0 0 398.341 4.240 50 5 GIBARN Cc1nn(C)c(NCCSCc2c(Cl)cccc2Cl)c1[N+](=O)[O-] ZINC000004323851 220707156 /nfs/dbraw/zinc/70/71/56/220707156.db2.gz CMOPBRSWDCHDIV-UHFFFAOYSA-N 0 0 375.281 4.289 50 5 GIBARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000004701906 220750861 /nfs/dbraw/zinc/75/08/61/220750861.db2.gz FDCOUKPZZQDLQU-UHFFFAOYSA-N 0 0 393.852 4.162 50 5 GIBARN O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl ZINC000004741208 220759011 /nfs/dbraw/zinc/75/90/11/220759011.db2.gz FEQJYKXCALOQQW-UHFFFAOYSA-N 0 0 375.837 4.305 50 5 GIBARN CCCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000005021850 220812884 /nfs/dbraw/zinc/81/28/84/220812884.db2.gz FIUIIDOAFAVPHU-UHFFFAOYSA-N 0 0 377.444 4.480 50 5 GIBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1c(F)c(F)c(F)c(F)c1F ZINC000005136595 220834911 /nfs/dbraw/zinc/83/49/11/220834911.db2.gz MOXHMDHRLPJNED-UHFFFAOYSA-N 0 0 384.307 4.083 50 5 GIBARN CCCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(F)cc1 ZINC000005345610 220859926 /nfs/dbraw/zinc/85/99/26/220859926.db2.gz PCDQDAGBRQYTEN-UHFFFAOYSA-N 0 0 391.446 4.245 50 5 GIBARN C[C@@H](Sc1ncnc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005505587 220877281 /nfs/dbraw/zinc/87/72/81/220877281.db2.gz UWDMDQMWSHKOCA-SNVBAGLBSA-N 0 0 388.836 4.311 50 5 GIBARN Cc1cc(OCC(=O)N[C@H](c2cccs2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000007549493 221000985 /nfs/dbraw/zinc/00/09/85/221000985.db2.gz RGQZFVULSHDYJU-FQEVSTJZSA-N 0 0 382.441 4.249 50 5 GIBARN CCCCCn1cnnc1S[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007545248 221001258 /nfs/dbraw/zinc/00/12/58/221001258.db2.gz CVTGSAXDYAZZAN-GFCCVEGCSA-N 0 0 388.453 4.280 50 5 GIBARN CCCCCn1cnnc1S[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000007545241 221001458 /nfs/dbraw/zinc/00/14/58/221001458.db2.gz CVTGSAXDYAZZAN-LBPRGKRZSA-N 0 0 388.453 4.280 50 5 GIBARN CCCOc1cc(NC(=O)Cc2cccc(F)c2)c([N+](=O)[O-])cc1OCCC ZINC000007990381 221022724 /nfs/dbraw/zinc/02/27/24/221022724.db2.gz AQIOMOBSGNRURB-UHFFFAOYSA-N 0 0 390.411 4.493 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000008106086 221026638 /nfs/dbraw/zinc/02/66/38/221026638.db2.gz KSQGFXHQNLUSKW-HNNXBMFYSA-N 0 0 381.457 4.153 50 5 GIBARN COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000008115192 221026983 /nfs/dbraw/zinc/02/69/83/221026983.db2.gz FMOVMYRNLDSDNN-FQEVSTJZSA-N 0 0 394.452 4.453 50 5 GIBARN CCOc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000008347736 221038786 /nfs/dbraw/zinc/03/87/86/221038786.db2.gz TXCCHUCZSZMPTJ-LBPRGKRZSA-N 0 0 385.445 4.436 50 5 GIBARN Cc1ccccc1CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000008821972 221059432 /nfs/dbraw/zinc/05/94/32/221059432.db2.gz MSZYRYSODQAWGM-UHFFFAOYSA-N 0 0 386.458 4.299 50 5 GIBARN CS(=O)(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 ZINC000008728895 221052180 /nfs/dbraw/zinc/05/21/80/221052180.db2.gz JXCKVJGEEYWOLY-UHFFFAOYSA-N 0 0 397.499 4.269 50 5 GIBARN C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N(c1nccs1)C1CCCCC1 ZINC000008748529 221054877 /nfs/dbraw/zinc/05/48/77/221054877.db2.gz FSVMVHJCJQPHPI-CYBMUJFWSA-N 0 0 375.450 4.185 50 5 GIBARN Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc([N+](=O)[O-])cc3)C(C)(C)C)cc2c1 ZINC000009209538 221073685 /nfs/dbraw/zinc/07/36/85/221073685.db2.gz ZJADUQVNLMQLIZ-UHFFFAOYSA-N 0 0 393.443 4.186 50 5 GIBARN Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cccc1[N+](=O)[O-] ZINC000009355998 221078666 /nfs/dbraw/zinc/07/86/66/221078666.db2.gz CCILBARUJQASAT-UHFFFAOYSA-N 0 0 381.432 4.172 50 5 GIBARN COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000009053383 221069318 /nfs/dbraw/zinc/06/93/18/221069318.db2.gz CYLVRWLZFGKZGE-IBGZPJMESA-N 0 0 391.383 4.188 50 5 GIBARN O=C(CSc1ncccc1Cl)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000011033411 221109968 /nfs/dbraw/zinc/10/99/68/221109968.db2.gz ZZWNAFYDMVRADX-UHFFFAOYSA-N 0 0 391.758 4.393 50 5 GIBARN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000009689964 221090559 /nfs/dbraw/zinc/09/05/59/221090559.db2.gz VJLBXYRIAXMWRA-UHFFFAOYSA-N 0 0 397.456 4.137 50 5 GIBARN CN(C)c1ccc(C(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1[N+](=O)[O-] ZINC000010990223 221110440 /nfs/dbraw/zinc/11/04/40/221110440.db2.gz MTCFDJWUKXMMQE-UHFFFAOYSA-N 0 0 390.443 4.072 50 5 GIBARN O=C(CNc1ccc(F)c([N+](=O)[O-])c1)N[C@H](c1cccs1)c1ccccc1 ZINC000011160666 221111429 /nfs/dbraw/zinc/11/14/29/221111429.db2.gz DAOPUNQDRSWTTB-IBGZPJMESA-N 0 0 385.420 4.113 50 5 GIBARN O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000011175263 221112222 /nfs/dbraw/zinc/11/22/22/221112222.db2.gz LBXWMJNFFURJJY-UHFFFAOYSA-N 0 0 395.337 4.363 50 5 GIBARN COc1cc(NC(=O)c2cc3c(ccc4ccccc43)oc2=O)cc(OC)c1 ZINC000012062403 221147243 /nfs/dbraw/zinc/14/72/43/221147243.db2.gz ZGENAHLUNYHQSM-UHFFFAOYSA-N 0 0 375.380 4.216 50 5 GIBARN CC(=O)NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(F)cc1F ZINC000012437868 221193012 /nfs/dbraw/zinc/19/30/12/221193012.db2.gz DTRQPFUFYCYCMO-ROMGYVFFSA-N 0 0 392.361 4.373 50 5 GIBARN COc1ccc(-c2noc(COc3ccc4[nH]c5ccccc5c(=O)c4c3)n2)cc1 ZINC000012521527 221201498 /nfs/dbraw/zinc/20/14/98/221201498.db2.gz HMWFXEIRRPTITR-UHFFFAOYSA-N 0 0 399.406 4.319 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(Cn2cccn2)cc1 ZINC000012523117 221201934 /nfs/dbraw/zinc/20/19/34/221201934.db2.gz WTWRBQOVVFXVSX-UHFFFAOYSA-N 0 0 376.338 4.471 50 5 GIBARN COc1ccc(NC(=O)[C@@H](C)Nc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000012559078 221207714 /nfs/dbraw/zinc/20/77/14/221207714.db2.gz OOVDFAIHVQIWFP-OAHLLOKOSA-N 0 0 398.463 4.033 50 5 GIBARN O=[N+]([O-])c1ccc([C@@H](O)CNc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000012614178 221213948 /nfs/dbraw/zinc/21/39/48/221213948.db2.gz IXXAFMFCUZCNTE-KRWDZBQOSA-N 0 0 392.440 4.412 50 5 GIBARN O=[N+]([O-])c1ccc([C@H](O)CNc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000012614183 221214459 /nfs/dbraw/zinc/21/44/59/221214459.db2.gz IXXAFMFCUZCNTE-QGZVFWFLSA-N 0 0 392.440 4.412 50 5 GIBARN CNc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000012620867 221215715 /nfs/dbraw/zinc/21/57/15/221215715.db2.gz OAMYPDMBWZTGQF-UHFFFAOYSA-N 0 0 396.472 4.041 50 5 GIBARN COc1cc(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC ZINC000012731189 221222242 /nfs/dbraw/zinc/22/22/42/221222242.db2.gz BQABKMPCULJGAJ-UHFFFAOYSA-N 0 0 388.420 4.170 50 5 GIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)o2)cs1 ZINC000012759664 221226942 /nfs/dbraw/zinc/22/69/42/221226942.db2.gz SCQIOUCZKPZGPC-UHFFFAOYSA-N 0 0 377.809 4.203 50 5 GIBARN Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1[N+](=O)[O-] ZINC000012774828 221230336 /nfs/dbraw/zinc/23/03/36/221230336.db2.gz NJEUHAHCKWJEQP-GOSISDBHSA-N 0 0 387.867 4.124 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(F)c(F)c2)c1C ZINC000012886427 221241008 /nfs/dbraw/zinc/24/10/08/221241008.db2.gz OBTBQYGXRXIPPD-CYBMUJFWSA-N 0 0 377.391 4.121 50 5 GIBARN COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000012932102 221247781 /nfs/dbraw/zinc/24/77/81/221247781.db2.gz PZHQVEIMXWKXEY-FQEVSTJZSA-N 0 0 383.448 4.159 50 5 GIBARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000012979201 221252122 /nfs/dbraw/zinc/25/21/22/221252122.db2.gz WBYUQZLERAHBSL-UHFFFAOYSA-N 0 0 383.429 4.120 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000012918461 221245775 /nfs/dbraw/zinc/24/57/75/221245775.db2.gz VETQRMGUGOFZOK-UHFFFAOYSA-N 0 0 394.406 4.359 50 5 GIBARN CC[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000013330057 221265565 /nfs/dbraw/zinc/26/55/65/221265565.db2.gz CVHXAFKJKSBJGL-AWEZNQCLSA-N 0 0 389.260 4.331 50 5 GIBARN O=C(Nc1nnc(Cc2cccs2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000013653448 221279786 /nfs/dbraw/zinc/27/97/86/221279786.db2.gz CSIVDYBRRGTCAZ-UHFFFAOYSA-N 0 0 386.414 4.097 50 5 GIBARN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000015128390 221334320 /nfs/dbraw/zinc/33/43/20/221334320.db2.gz IONYYNBLGDCDBN-SECBINFHSA-N 0 0 389.260 4.478 50 5 GIBARN CC[C@@H]1CCCCN1c1ccc(-c2nc(-c3cccnc3)no2)cc1[N+](=O)[O-] ZINC000015833828 221346646 /nfs/dbraw/zinc/34/66/46/221346646.db2.gz XAUKANUCVIDQJC-MRXNPFEDSA-N 0 0 379.420 4.476 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 ZINC000016147699 221359040 /nfs/dbraw/zinc/35/90/40/221359040.db2.gz MFACXKHRQXPDDC-UHFFFAOYSA-N 0 0 382.441 4.295 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccc(O)cc1 ZINC000016525214 221364986 /nfs/dbraw/zinc/36/49/86/221364986.db2.gz NGEJFFDPWPKSDW-VGOFMYFVSA-N 0 0 385.379 4.170 50 5 GIBARN COc1ccc(C(=O)C[C@@H](Cc2onc(C)c2[N+](=O)[O-])c2ccccc2)cc1 ZINC000019872756 221460941 /nfs/dbraw/zinc/46/09/41/221460941.db2.gz BZSNFLOBEFTPTL-KRWDZBQOSA-N 0 0 380.400 4.499 50 5 GIBARN O=c1c2ccc[nH]c-2c(Nc2ccc(Cl)c([N+](=O)[O-])c2)n1Cc1ccccc1 ZINC000021107324 221526257 /nfs/dbraw/zinc/52/62/57/221526257.db2.gz PXOUIKLXFZMBBT-IBGZPJMESA-N 0 0 394.818 4.410 50 5 GIBARN CC(C)(C)NC(=O)c1oc2ccccc2c1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020900528 221517346 /nfs/dbraw/zinc/51/73/46/221517346.db2.gz GBSAXCFVMOQOJU-UHFFFAOYSA-N 0 0 395.415 4.051 50 5 GIBARN CC(C)c1noc(-c2ccc(N3CCN(c4ccccc4)CC3)c([N+](=O)[O-])c2)n1 ZINC000020898149 221517772 /nfs/dbraw/zinc/51/77/72/221517772.db2.gz WTTAZITZTLBXMD-UHFFFAOYSA-N 0 0 393.447 4.095 50 5 GIBARN CC[C@H](C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000004895680 136194117 /nfs/dbraw/zinc/19/41/17/136194117.db2.gz MUNIXKNBCUYQHB-HNNXBMFYSA-N 0 0 383.448 4.197 50 5 GIBARN COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC1CCCC1 ZINC000024505473 221614820 /nfs/dbraw/zinc/61/48/20/221614820.db2.gz BMHVZRHFZZEWCG-UHFFFAOYSA-N 0 0 386.404 4.186 50 5 GIBARN Cc1ccc(C)c(OCC(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)c1 ZINC000032915664 221749040 /nfs/dbraw/zinc/74/90/40/221749040.db2.gz VYQBMTHBSVKETQ-UHFFFAOYSA-N 0 0 396.365 4.182 50 5 GIBARN COC(=O)c1ccc([N+](=O)[O-])c(OCc2coc(-c3ccc(C)cc3C)n2)c1 ZINC000040060528 221899936 /nfs/dbraw/zinc/89/99/36/221899936.db2.gz RGJCKYYLFZZZIB-UHFFFAOYSA-N 0 0 382.372 4.232 50 5 GIBARN CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc([N+](=O)[O-])cc1)NC2 ZINC000054979029 222014716 /nfs/dbraw/zinc/01/47/16/222014716.db2.gz ZIOXKFPYSIVBGL-QFIPXVFZSA-N 0 0 393.443 4.376 50 5 GIBARN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(c2nc3ccccc3s2)CC1 ZINC000067706226 222156494 /nfs/dbraw/zinc/15/64/94/222156494.db2.gz VFHAOYZIDFEIIT-UHFFFAOYSA-N 0 0 396.472 4.023 50 5 GIBARN Cc1cc(NC[C@@H]2COc3ccccc3C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000069349622 222173038 /nfs/dbraw/zinc/17/30/38/222173038.db2.gz SSTZGUYPARLXMB-OAHLLOKOSA-N 0 0 376.416 4.023 50 5 GIBARN O=C1NCCCC[C@H]1Oc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000069421069 222173163 /nfs/dbraw/zinc/17/31/63/222173163.db2.gz WFKHMVXIJBQFRQ-QGZVFWFLSA-N 0 0 376.796 4.088 50 5 GIBARN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc(O)cc1 ZINC000079193037 222305050 /nfs/dbraw/zinc/30/50/50/222305050.db2.gz NFOMEUHEMCATDY-UHFFFAOYSA-N 0 0 375.384 4.283 50 5 GIBARN Cc1c(C(=O)Nc2cccc(C)c2)nn(C)c1Oc1ccc([N+](=O)[O-])cc1F ZINC000096203718 222398540 /nfs/dbraw/zinc/39/85/40/222398540.db2.gz OBOMBBPRLFCQIU-UHFFFAOYSA-N 0 0 384.367 4.129 50 5 GIBARN C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccccc1Cl ZINC000032777363 518177843 /nfs/dbraw/zinc/17/78/43/518177843.db2.gz XULLERIPBYSACG-SNVBAGLBSA-N 0 0 391.836 4.359 50 5 GIBARN Cc1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c43)C2=O)c2cccnc12 ZINC000000783648 524931143 /nfs/dbraw/zinc/93/11/43/524931143.db2.gz CGVHMLFWRUSFFL-UHFFFAOYSA-N 0 0 383.363 4.405 50 5 GIBARN CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(F)c(F)c1 ZINC000048300091 570234157 /nfs/dbraw/zinc/23/41/57/570234157.db2.gz YRHHARWJELOGJQ-UHFFFAOYSA-N 0 0 389.402 4.143 50 5 GIBARN CC(C)(C)C(=O)Nc1c(Br)cc(Br)c(F)c1[N+](=O)[O-] ZINC000095217862 570275449 /nfs/dbraw/zinc/27/54/49/570275449.db2.gz JJFQZNJDTGASIG-UHFFFAOYSA-N 0 0 398.026 4.244 50 5 GIBARN CCn1ccc(C(=O)Nc2cc(Oc3cc(C)cc(C)c3)cc([N+](=O)[O-])c2)n1 ZINC000000655315 570280935 /nfs/dbraw/zinc/28/09/35/570280935.db2.gz RBOABOCTHMQHIY-UHFFFAOYSA-N 0 0 380.404 4.473 50 5 GIBARN COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 ZINC000000687025 570290438 /nfs/dbraw/zinc/29/04/38/570290438.db2.gz KONHBOXXPCOFOU-JTQLQIEISA-N 0 0 388.445 4.128 50 5 GIBARN O=C1OC(c2ccc(Br)cc2)=N/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000000725924 570306921 /nfs/dbraw/zinc/30/69/21/570306921.db2.gz UFFQPRSVSQKXOJ-PVZSTHCMSA-N 0 0 399.200 4.258 50 5 GIBARN COc1cccc(C(=O)Nc2nc(-c3ccc(OC)c([N+](=O)[O-])c3)c(C)s2)c1 ZINC000006185425 570317073 /nfs/dbraw/zinc/31/70/73/570317073.db2.gz NUTHVPJAZQEPNP-UHFFFAOYSA-N 0 0 399.428 4.296 50 5 GIBARN Cc1cccn2cc(COC(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc12 ZINC000016281530 570321993 /nfs/dbraw/zinc/32/19/93/570321993.db2.gz YTOXCSKGNLPEFF-UHFFFAOYSA-N 0 0 377.356 4.168 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1ccccc1[N+](=O)[O-] ZINC000004866878 570350967 /nfs/dbraw/zinc/35/09/67/570350967.db2.gz UEMSIAANMXRJSU-BUHFOSPRSA-N 0 0 385.379 4.170 50 5 GIBARN Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)c([N+](=O)[O-])c1 ZINC000005013844 570394881 /nfs/dbraw/zinc/39/48/81/570394881.db2.gz VSCHSAWEOLVGBG-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])s1)Nc1ccccc1-c1ccccc1 ZINC000005020726 570397852 /nfs/dbraw/zinc/39/78/52/570397852.db2.gz SXVHNVKRIRUNLR-UHFFFAOYSA-N 0 0 382.397 4.119 50 5 GIBARN CCOc1cc(CN(c2ccc([N+](=O)[O-])cn2)C2CC2)ccc1OC(F)F ZINC000026761137 570437295 /nfs/dbraw/zinc/43/72/95/570437295.db2.gz DKODGTVPLORSMT-UHFFFAOYSA-N 0 0 379.363 4.159 50 5 GIBARN COc1ccccc1N1CC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000089473845 570455082 /nfs/dbraw/zinc/45/50/82/570455082.db2.gz YHSJTWMOGHUKSM-HNNXBMFYSA-N 0 0 378.432 4.090 50 5 GIBARN COc1ccccc1N1CC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000089473843 570455125 /nfs/dbraw/zinc/45/51/25/570455125.db2.gz YHSJTWMOGHUKSM-OAHLLOKOSA-N 0 0 378.432 4.090 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3cccs3)nc21 ZINC000002353900 570475353 /nfs/dbraw/zinc/47/53/53/570475353.db2.gz XDHZYRUJBAUNQU-UHFFFAOYSA-N 0 0 391.496 4.482 50 5 GIBARN O=C(CNc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005172873 570491990 /nfs/dbraw/zinc/49/19/90/570491990.db2.gz SUFIEMQTOGAHDU-UHFFFAOYSA-N 0 0 384.617 4.061 50 5 GIBARN Cc1cccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])c1 ZINC000005187093 570498073 /nfs/dbraw/zinc/49/80/73/570498073.db2.gz INIAVUKPAHTRLO-UHFFFAOYSA-N 0 0 384.827 4.285 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C ZINC000177365689 570526639 /nfs/dbraw/zinc/52/66/39/570526639.db2.gz UWMRCBSWRRJGOW-UHFFFAOYSA-N 0 0 394.431 4.339 50 5 GIBARN CCCCn1c(=O)c2c(=O)c3ccccc3n(C)c2nc1-c1ccc(Cl)cc1 ZINC000005347680 570561915 /nfs/dbraw/zinc/56/19/15/570561915.db2.gz OOKNFJSKMOIGNB-UHFFFAOYSA-N 0 0 393.874 4.369 50 5 GIBARN O=C(Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1)c1ccccc1F ZINC000006740757 570563008 /nfs/dbraw/zinc/56/30/08/570563008.db2.gz CSSGJORXOOYVSL-UHFFFAOYSA-N 0 0 390.421 4.130 50 5 GIBARN Cn1nc(-c2ccncc2)cc1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000225419973 570572019 /nfs/dbraw/zinc/57/20/19/570572019.db2.gz CKLLYNQQKVGHQQ-UHFFFAOYSA-N 0 0 379.423 4.436 50 5 GIBARN Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCC3)c(-c3ccc(F)cc3)nc21 ZINC000005429020 570591833 /nfs/dbraw/zinc/59/18/33/570591833.db2.gz WPHNZWQSOZDJLS-UHFFFAOYSA-N 0 0 389.430 4.170 50 5 GIBARN Cc1ccc(-n2ccnc2SCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1 ZINC000007979839 570609988 /nfs/dbraw/zinc/60/99/88/570609988.db2.gz OOFSLCLFODAKPA-UHFFFAOYSA-N 0 0 396.472 4.437 50 5 GIBARN Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)OC(C)C)c1C ZINC000005533681 570627884 /nfs/dbraw/zinc/62/78/84/570627884.db2.gz HBLGAXFKJCOSSD-UHFFFAOYSA-N 0 0 376.434 4.399 50 5 GIBARN Cc1sc2nc(C)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1C ZINC000005429216 570662370 /nfs/dbraw/zinc/66/23/70/570662370.db2.gz RYQWEIPANNAULR-UHFFFAOYSA-N 0 0 388.474 4.256 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccc(Br)cc1 ZINC000006880493 570671109 /nfs/dbraw/zinc/67/11/09/570671109.db2.gz QVQJMNKYKKGSFJ-UHFFFAOYSA-N 0 0 397.250 4.097 50 5 GIBARN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)c1ccccc1 ZINC000005659595 570682684 /nfs/dbraw/zinc/68/26/84/570682684.db2.gz GEALIGWXCYXGPY-UHFFFAOYSA-N 0 0 390.395 4.247 50 5 GIBARN Cc1cccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1[N+](=O)[O-] ZINC000001133181 570756502 /nfs/dbraw/zinc/75/65/02/570756502.db2.gz MZVNVINRGIVWHE-UHFFFAOYSA-N 0 0 388.836 4.251 50 5 GIBARN O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1[N+](=O)[O-] ZINC000001163510 570758368 /nfs/dbraw/zinc/75/83/68/570758368.db2.gz KTQMMESCSLONDA-UHFFFAOYSA-N 0 0 376.328 4.157 50 5 GIBARN Cc1c(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] ZINC000001183520 570791190 /nfs/dbraw/zinc/79/11/90/570791190.db2.gz ZQVPTJXZFBREJA-UHFFFAOYSA-N 0 0 384.244 4.337 50 5 GIBARN CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000001181924 570791255 /nfs/dbraw/zinc/79/12/55/570791255.db2.gz AYMXSUMALCKGTO-UHFFFAOYSA-N 0 0 376.368 4.439 50 5 GIBARN COc1cc(COC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(F)F ZINC000032753631 570796517 /nfs/dbraw/zinc/79/65/17/570796517.db2.gz XEDGYMRINRDGLP-UHFFFAOYSA-N 0 0 387.722 4.215 50 5 GIBARN Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1I ZINC000004657117 570805465 /nfs/dbraw/zinc/80/54/65/570805465.db2.gz CSJVUWOEXBPCQY-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN CCNc1c2ccccc2oc(=O)c1NC(=O)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000101096661 570812299 /nfs/dbraw/zinc/81/22/99/570812299.db2.gz XKEQQNZAXWVOCG-UHFFFAOYSA-N 0 0 382.376 4.085 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)Cc1cccc2ccccc21 ZINC000004676509 570817091 /nfs/dbraw/zinc/81/70/91/570817091.db2.gz CWPZYUGHIUDOQG-UHFFFAOYSA-N 0 0 379.441 4.112 50 5 GIBARN O=C(NCCNc1c(Cl)cccc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl ZINC000004689120 570828538 /nfs/dbraw/zinc/82/85/38/570828538.db2.gz KRTMOBBQMFRTIX-UHFFFAOYSA-N 0 0 390.173 4.022 50 5 GIBARN Cc1ccc(O)c(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1 ZINC000004695668 570841356 /nfs/dbraw/zinc/84/13/56/570841356.db2.gz SNWGSAKXTZOPSS-UHFFFAOYSA-N 0 0 390.351 4.202 50 5 GIBARN CCCCN(CC)C(=O)c1ccccc1C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC000012545604 570846657 /nfs/dbraw/zinc/84/66/57/570846657.db2.gz JNWNEYYNEIQUCN-UHFFFAOYSA-N 0 0 383.448 4.130 50 5 GIBARN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004725641 570863078 /nfs/dbraw/zinc/86/30/78/570863078.db2.gz VGWOWVSROWEELW-FPYGCLRLSA-N 0 0 396.255 4.428 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])o2)n1CCc1ccccc1 ZINC000004559403 570883798 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COc1ccc(-c2nc3ccccn3c2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000004790818 570992486 /nfs/dbraw/zinc/99/24/86/570992486.db2.gz RCZGWSRSMRHQTP-UHFFFAOYSA-N 0 0 388.383 4.170 50 5 GIBARN Cc1nc(-c2ccc(CNC(=O)c3ccc(Cl)cc3[N+](=O)[O-])o2)cs1 ZINC000012751585 571004299 /nfs/dbraw/zinc/00/42/99/571004299.db2.gz WJPBJXKLCHDOFX-UHFFFAOYSA-N 0 0 377.809 4.203 50 5 GIBARN CCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000037559928 571031731 /nfs/dbraw/zinc/03/17/31/571031731.db2.gz JZDNUIVBRZPTDB-UHFFFAOYSA-N 0 0 385.439 4.142 50 5 GIBARN CC[C@@H](OC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000084718794 571033437 /nfs/dbraw/zinc/03/34/37/571033437.db2.gz NRCCNYKDVAZZJD-LJQANCHMSA-N 0 0 394.431 4.089 50 5 GIBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(C=O)ccc1[N+](=O)[O-] ZINC000001133869 817374870 /nfs/dbraw/zinc/37/48/70/817374870.db2.gz CKRGDWZEZGFDDV-UHFFFAOYSA-N 0 0 386.747 4.243 50 5 GIBARN CC(C)Cn1cnc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000002257625 817381740 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GIBARN O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)NC1CCCC1 ZINC000002771243 817400001 /nfs/dbraw/zinc/40/00/01/817400001.db2.gz FNWYPERVXRPQIQ-UHFFFAOYSA-N 0 0 399.403 4.287 50 5 GIBARN Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000002796571 817401195 /nfs/dbraw/zinc/40/11/95/817401195.db2.gz YDEFRJCGWQTVPU-UHFFFAOYSA-N 0 0 384.823 4.362 50 5 GIBARN O=[N+]([O-])c1ccc(Sc2nnc(-c3cccs3)n2-c2ccccc2)cn1 ZINC000003443348 817456973 /nfs/dbraw/zinc/45/69/73/817456973.db2.gz WRZBQBJTEWEYRF-UHFFFAOYSA-N 0 0 381.442 4.450 50 5 GIBARN Cc1cc(OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)ccc1Br ZINC000003647628 817493658 /nfs/dbraw/zinc/49/36/58/817493658.db2.gz KYRGCZUHTHYQSQ-UHFFFAOYSA-N 0 0 390.193 4.295 50 5 GIBARN O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004070414 817500731 /nfs/dbraw/zinc/50/07/31/817500731.db2.gz WPLRNIGKJRNPGP-UHFFFAOYSA-N 0 0 378.772 4.158 50 5 GIBARN O=C(c1ccc2ccccc2c1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120119 817504974 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212191469 /nfs/dbraw/zinc/19/14/69/212191469.db2.gz WODQXLKMBSIJQS-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000000826484 212187532 /nfs/dbraw/zinc/18/75/32/212187532.db2.gz OFRCZUMJLGVFRS-UHFFFAOYSA-N 0 0 397.140 4.064 50 5 GIBARN COC(=O)c1ccc(COc2cc(O)c3c(c2)oc2ccccc2c3=O)cc1 ZINC000004083599 212146957 /nfs/dbraw/zinc/14/69/57/212146957.db2.gz YVSFWAAIBQVHKC-UHFFFAOYSA-N 0 0 376.364 4.017 50 5 GIBARN Cc1cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1Br ZINC000104229288 212083194 /nfs/dbraw/zinc/08/31/94/212083194.db2.gz NEFPKNICNPWXGJ-UHFFFAOYSA-N 0 0 397.141 4.226 50 5 GIBARN CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000002362076 220525574 /nfs/dbraw/zinc/52/55/74/220525574.db2.gz VNYCRFIVTXZVCU-LIRRHRJNSA-N 0 0 388.445 4.077 50 5 GIBARN Cn1nc(-c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000004172285 220690548 /nfs/dbraw/zinc/69/05/48/220690548.db2.gz DSFHHJVYRLIVIX-UHFFFAOYSA-N 0 0 386.411 4.121 50 5 GIBARN COc1ccc(CCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1OC ZINC000004499342 220722212 /nfs/dbraw/zinc/72/22/12/220722212.db2.gz LCRPOXALAXQFAQ-UHFFFAOYSA-N 0 0 385.464 4.257 50 5 GIBARN O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn21)c1cccc([N+](=O)[O-])c1 ZINC000004790744 220765970 /nfs/dbraw/zinc/76/59/70/220765970.db2.gz YILHTMHSBWOIPA-UHFFFAOYSA-N 0 0 376.347 4.301 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000005068348 220824729 /nfs/dbraw/zinc/82/47/29/220824729.db2.gz JOLZNMWPHTYCQO-IZZDOVSWSA-N 0 0 377.356 4.092 50 5 GIBARN Cc1ccc2cccc(OC(=O)c3cc([N+](=O)[O-])ccc3Br)c2n1 ZINC000005127989 220833159 /nfs/dbraw/zinc/83/31/59/220833159.db2.gz YFLXELFAEXFOOE-UHFFFAOYSA-N 0 0 387.189 4.433 50 5 GIBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SC[C@@H]1CCCO1 ZINC000005269186 220854035 /nfs/dbraw/zinc/85/40/35/220854035.db2.gz NAQSIOLQNWRQNL-AWEZNQCLSA-N 0 0 385.445 4.213 50 5 GIBARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000005390827 220864852 /nfs/dbraw/zinc/86/48/52/220864852.db2.gz YXRKBRHTUMTXOR-UHFFFAOYSA-N 0 0 395.246 4.256 50 5 GIBARN C[C@@H]1C[C@@H]1C(=O)O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 ZINC000005693530 220893143 /nfs/dbraw/zinc/89/31/43/220893143.db2.gz VJWGHXBQWAGDIY-WHCBVINPSA-N 0 0 388.807 4.127 50 5 GIBARN COc1ccc(CCNc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC ZINC000005720784 220894696 /nfs/dbraw/zinc/89/46/96/220894696.db2.gz LPHAGTQXMNOTML-UHFFFAOYSA-N 0 0 385.445 4.390 50 5 GIBARN O=[N+]([O-])c1cc(-c2ncnn2-c2ccc(Br)cc2)ccc1Cl ZINC000005864309 220904427 /nfs/dbraw/zinc/90/44/27/220904427.db2.gz YBPQUOAWACNKGN-UHFFFAOYSA-N 0 0 379.601 4.258 50 5 GIBARN COCCNc1nnc(SCc2cc(=O)oc3ccc4ccccc4c23)s1 ZINC000006427290 220933670 /nfs/dbraw/zinc/93/36/70/220933670.db2.gz ZSNJSQBPEVQSST-UHFFFAOYSA-N 0 0 399.497 4.148 50 5 GIBARN Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 ZINC000007594488 221002584 /nfs/dbraw/zinc/00/25/84/221002584.db2.gz LKSIGBWBBHVRJY-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN COc1ccc(CCNC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1 ZINC000008020252 221023900 /nfs/dbraw/zinc/02/39/00/221023900.db2.gz BYQWUMCZCHNXFH-UHFFFAOYSA-N 0 0 380.400 4.144 50 5 GIBARN COC(=O)c1cccc(Cn2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc32)c1 ZINC000008040519 221024754 /nfs/dbraw/zinc/02/47/54/221024754.db2.gz BJNUOIKSHMRCLA-UHFFFAOYSA-N 0 0 387.395 4.446 50 5 GIBARN CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008915770 221062909 /nfs/dbraw/zinc/06/29/09/221062909.db2.gz ICRBDRZHZSYXOJ-UHFFFAOYSA-N 0 0 394.427 4.358 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1c2ncnn2C2(CCCCC2)[C@@H]2CCCC[C@@H]21 ZINC000008673630 221049804 /nfs/dbraw/zinc/04/98/04/221049804.db2.gz FUVGWNBENSIEHZ-MSOLQXFVSA-N 0 0 395.463 4.065 50 5 GIBARN Cc1cccc(-c2noc(CN(C(=O)c3ccc(C)c([N+](=O)[O-])c3)C(C)C)n2)c1 ZINC000009227091 221074665 /nfs/dbraw/zinc/07/46/65/221074665.db2.gz VAIIAWLVQVAMIO-UHFFFAOYSA-N 0 0 394.431 4.312 50 5 GIBARN COc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009423707 221080107 /nfs/dbraw/zinc/08/01/07/221080107.db2.gz CKIIIZMWKNGQPS-OAQYLSRUSA-N 0 0 389.411 4.370 50 5 GIBARN Cc1cccc(NC(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)c1C ZINC000009421023 221080335 /nfs/dbraw/zinc/08/03/35/221080335.db2.gz CYTYEDHSJYYZJE-UHFFFAOYSA-N 0 0 389.407 4.286 50 5 GIBARN COc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009423708 221080574 /nfs/dbraw/zinc/08/05/74/221080574.db2.gz CKIIIZMWKNGQPS-NRFANRHFSA-N 0 0 389.411 4.370 50 5 GIBARN COc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1[N+](=O)[O-] ZINC000009426424 221080727 /nfs/dbraw/zinc/08/07/27/221080727.db2.gz VMGCRHANIKFOQK-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN Cc1cc2occ(CC(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2cc1C ZINC000009436538 221081970 /nfs/dbraw/zinc/08/19/70/221081970.db2.gz MFRTWVWFJMAPNE-AWEZNQCLSA-N 0 0 396.399 4.071 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000011117639 221111291 /nfs/dbraw/zinc/11/12/91/221111291.db2.gz GQXMIKDREOQHLS-FQEVSTJZSA-N 0 0 381.457 4.282 50 5 GIBARN Cc1c(NCC(=O)N[C@H](c2cccs2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000011259964 221113390 /nfs/dbraw/zinc/11/33/90/221113390.db2.gz GGDDANUGDGHYSH-FQEVSTJZSA-N 0 0 381.457 4.282 50 5 GIBARN COc1ccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)cc1[N+](=O)[O-] ZINC000011964534 221141403 /nfs/dbraw/zinc/14/14/03/221141403.db2.gz GBCQQPLQSUOJGW-UHFFFAOYSA-N 0 0 398.444 4.066 50 5 GIBARN Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccccc1[N+](=O)[O-] ZINC000012111403 221151110 /nfs/dbraw/zinc/15/11/10/221151110.db2.gz ZHSWSKSPLOAFDT-UHFFFAOYSA-N 0 0 386.429 4.166 50 5 GIBARN CCOC(=O)N=[S@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000012548860 221204787 /nfs/dbraw/zinc/20/47/87/221204787.db2.gz UUMFTMJRVGLCSF-RUZDIDTESA-N 0 0 384.797 4.226 50 5 GIBARN O=C(CCCNc1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 ZINC000012555621 221206737 /nfs/dbraw/zinc/20/67/37/221206737.db2.gz DYEOUKNXSYQULA-UHFFFAOYSA-N 0 0 378.226 4.188 50 5 GIBARN COc1ccccc1CN(C)C(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000012733653 221222604 /nfs/dbraw/zinc/22/26/04/221222604.db2.gz NTTPZEGUSPDOCB-MRXNPFEDSA-N 0 0 397.475 4.112 50 5 GIBARN Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1[N+](=O)[O-] ZINC000012795683 221232216 /nfs/dbraw/zinc/23/22/16/221232216.db2.gz YSHYKWNVTHZCST-KRWDZBQOSA-N 0 0 382.416 4.042 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1C ZINC000012906715 221244176 /nfs/dbraw/zinc/24/41/76/221244176.db2.gz MZPAVLYDVIVCRR-AWEZNQCLSA-N 0 0 398.488 4.453 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000012976467 221251620 /nfs/dbraw/zinc/25/16/20/221251620.db2.gz GONJMWDAXKZGQP-SFHVURJKSA-N 0 0 388.470 4.033 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cs1 ZINC000012979742 221252319 /nfs/dbraw/zinc/25/23/19/221252319.db2.gz DVNAUCFXUWNGCR-UHFFFAOYSA-N 0 0 381.457 4.308 50 5 GIBARN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000013603384 221276466 /nfs/dbraw/zinc/27/64/66/221276466.db2.gz FUONGWBTJSAQBD-QZTJIDSGSA-N 0 0 382.441 4.426 50 5 GIBARN COc1ccccc1Oc1cc(NC(=O)c2noc(C)c2C)cc([N+](=O)[O-])c1 ZINC000013641072 221277703 /nfs/dbraw/zinc/27/77/03/221277703.db2.gz XFLHPPPNWCIHMK-UHFFFAOYSA-N 0 0 383.360 4.253 50 5 GIBARN CC(=O)c1sc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CC2)nc1C ZINC000013961247 221294457 /nfs/dbraw/zinc/29/44/57/221294457.db2.gz CGMVIKXLERMDJD-UHFFFAOYSA-N 0 0 379.825 4.025 50 5 GIBARN O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc([N+](=O)[O-])cc1 ZINC000015391385 221335098 /nfs/dbraw/zinc/33/50/98/221335098.db2.gz ZFMRKLGISBMHCL-UHFFFAOYSA-N 0 0 379.159 4.204 50 5 GIBARN CN(C)c1ccc(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000016597455 221365960 /nfs/dbraw/zinc/36/59/60/221365960.db2.gz ISCFPDGCFCOHGX-UHFFFAOYSA-N 0 0 396.369 4.120 50 5 GIBARN O=C(NCc1nc2ccccc2[nH]1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000016694932 221369382 /nfs/dbraw/zinc/36/93/82/221369382.db2.gz LRBFHHPHZKSILN-UHFFFAOYSA-N 0 0 396.790 4.315 50 5 GIBARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1ccc([N+](=O)[O-])cc1 ZINC000018705616 221393041 /nfs/dbraw/zinc/39/30/41/221393041.db2.gz RHQMUEGHJZXEDL-UHFFFAOYSA-N 0 0 382.376 4.362 50 5 GIBARN CCN(CC)c1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] ZINC000020897787 221517340 /nfs/dbraw/zinc/51/73/40/221517340.db2.gz GWZKXQRACNYWHO-UHFFFAOYSA-N 0 0 398.419 4.175 50 5 GIBARN Cc1cc(-n2c(C)cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)c2C)no1 ZINC000022325745 221557562 /nfs/dbraw/zinc/55/75/62/221557562.db2.gz KTXRUVNIKFRZRF-CQSZACIVSA-N 0 0 382.420 4.132 50 5 GIBARN CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)ccc12 ZINC000022738033 221568929 /nfs/dbraw/zinc/56/89/29/221568929.db2.gz IJFXFCGMDOHZRP-ZDUSSCGKSA-N 0 0 396.399 4.060 50 5 GIBARN Cc1ccc(S(=O)(=O)c2ccc(COc3ccc(C)nc3[N+](=O)[O-])cc2)cc1 ZINC000032325515 221720320 /nfs/dbraw/zinc/72/03/20/221720320.db2.gz BDAYKAFUXYBDOV-UHFFFAOYSA-N 0 0 398.440 4.018 50 5 GIBARN CC(C)(C)c1ccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 ZINC000032945545 221755597 /nfs/dbraw/zinc/75/55/97/221755597.db2.gz WGCNFAJMCZVRAL-UHFFFAOYSA-N 0 0 398.459 4.086 50 5 GIBARN Cc1cccc(C)c1NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000034803596 221804533 /nfs/dbraw/zinc/80/45/33/221804533.db2.gz MERUTOYVUDCKES-AZUAARDMSA-N 0 0 379.460 4.382 50 5 GIBARN CC1CCN(c2nnc(SCc3csc([N+](=O)[O-])c3)n2C2CC2)CC1 ZINC000040146126 221913676 /nfs/dbraw/zinc/91/36/76/221913676.db2.gz IKHYLMNSBRNTIB-UHFFFAOYSA-N 0 0 379.511 4.111 50 5 GIBARN O=[N+]([O-])c1cccnc1NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000054981784 222014680 /nfs/dbraw/zinc/01/46/80/222014680.db2.gz WDDNSJXTOGKYMS-UHFFFAOYSA-N 0 0 381.354 4.169 50 5 GIBARN CN(Cc1c(F)cccc1Cl)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21 ZINC000058136059 222040887 /nfs/dbraw/zinc/04/08/87/222040887.db2.gz FXMBJXFEHMYYDI-UHFFFAOYSA-N 0 0 375.787 4.001 50 5 GIBARN COCCCCN1C(=O)[C@@H](Sc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058210297 222045666 /nfs/dbraw/zinc/04/56/66/222045666.db2.gz XINBQWSASDINCH-MOPGFXCFSA-N 0 0 386.473 4.066 50 5 GIBARN Cn1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063275172 222066025 /nfs/dbraw/zinc/06/60/25/222066025.db2.gz IQPUIBFVVFPTEJ-PXNMLYILSA-N 0 0 380.791 4.141 50 5 GIBARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000064984030 222092283 /nfs/dbraw/zinc/09/22/83/222092283.db2.gz FBTUVTYURQLBLE-INIZCTEOSA-N 0 0 380.491 4.271 50 5 GIBARN O=C(NCc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000065500031 222131515 /nfs/dbraw/zinc/13/15/15/222131515.db2.gz PVDSZCJFTFQXIJ-UHFFFAOYSA-N 0 0 390.443 4.115 50 5 GIBARN O=[N+]([O-])c1ccc(NC[C@@H](O)c2ccccc2C(F)(F)F)c2ncccc12 ZINC000068998241 222172453 /nfs/dbraw/zinc/17/24/53/222172453.db2.gz QLYKPAUUGNKIEH-MRXNPFEDSA-N 0 0 377.322 4.307 50 5 GIBARN CCn1ncc([C@@H]2CC(c3cccc(O)c3)=NN2c2ccc([N+](=O)[O-])cc2)c1C ZINC000071785125 222197810 /nfs/dbraw/zinc/19/78/10/222197810.db2.gz UELPIRRKLQDQNC-NRFANRHFSA-N 0 0 391.431 4.181 50 5 GIBARN O=C1CCCCCN1CCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000071811010 222198076 /nfs/dbraw/zinc/19/80/76/222198076.db2.gz BZLJNAMBFIZLRU-UHFFFAOYSA-N 0 0 379.766 4.082 50 5 GIBARN CC[C@H](c1ccccc1)[C@@H]1CCCN1c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000072277131 222219210 /nfs/dbraw/zinc/21/92/10/222219210.db2.gz YBPGGRDMUKOEFK-MSOLQXFVSA-N 0 0 388.489 4.161 50 5 GIBARN Cc1nn(C)cc1-c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C(C)C ZINC000079477055 222304964 /nfs/dbraw/zinc/30/49/64/222304964.db2.gz YNAWAXINRISIKO-UHFFFAOYSA-N 0 0 377.404 4.032 50 5 GIBARN CC(=O)CCc1ccc(OCC(=O)O[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000095964582 222365188 /nfs/dbraw/zinc/36/51/88/222365188.db2.gz BEWUASYEWRUNLA-MRXNPFEDSA-N 0 0 385.416 4.108 50 5 GIBARN O=c1c(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)cc2cccc3c2n1CC3 ZINC000096221711 222397859 /nfs/dbraw/zinc/39/78/59/222397859.db2.gz GHZHCYXCBFRFDA-UHFFFAOYSA-N 0 0 394.390 4.101 50 5 GIBARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000016284482 534141105 /nfs/dbraw/zinc/14/11/05/534141105.db2.gz TXXDSNROIFUDOS-UHFFFAOYSA-N 0 0 391.362 4.029 50 5 GIBARN CCOC1=N[C@@H]2Nc3ccc(Cl)cc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004163988 535750695 /nfs/dbraw/zinc/75/06/95/535750695.db2.gz UUVRAYGXICFEBM-BZSNNMDCSA-N 0 0 386.839 4.037 50 5 GIBARN Cc1cc(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1Br ZINC000002485119 570279220 /nfs/dbraw/zinc/27/92/20/570279220.db2.gz WHNWQPNXRKVSNL-INIZCTEOSA-N 0 0 393.262 4.444 50 5 GIBARN COc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c(Cl)c3)s2)cc1 ZINC000000806022 570342072 /nfs/dbraw/zinc/34/20/72/570342072.db2.gz PJKLPFUHQGWBBY-UHFFFAOYSA-N 0 0 390.808 4.028 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1cccc(Br)c1 ZINC000225848458 570342536 /nfs/dbraw/zinc/34/25/36/570342536.db2.gz NHJXRUVWBAZPKK-QGZVFWFLSA-N 0 0 388.221 4.055 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004873732 570352679 /nfs/dbraw/zinc/35/26/79/570352679.db2.gz OQGDDHNWLDEMEH-UHFFFAOYSA-N 0 0 390.749 4.191 50 5 GIBARN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 ZINC000004957255 570380371 /nfs/dbraw/zinc/38/03/71/570380371.db2.gz QLMCXRAZVCMKII-UHFFFAOYSA-N 0 0 380.731 4.068 50 5 GIBARN O=[N+]([O-])c1ccccc1/C=C/CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000004981123 570389770 /nfs/dbraw/zinc/38/97/70/570389770.db2.gz PJYOLXRIBSTDPR-GQCTYLIASA-N 0 0 391.393 4.449 50 5 GIBARN COc1ccccc1NC(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000006328166 570389774 /nfs/dbraw/zinc/38/97/74/570389774.db2.gz FGCMDRNGAFVWEP-JTQLQIEISA-N 0 0 383.326 4.061 50 5 GIBARN Cc1ccc(CNC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000006331822 570393822 /nfs/dbraw/zinc/39/38/22/570393822.db2.gz JWJLCXGGSCCBKO-LBPRGKRZSA-N 0 0 381.354 4.039 50 5 GIBARN CCc1ccc(O[P@](C)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000005031285 570401220 /nfs/dbraw/zinc/40/12/20/570401220.db2.gz SDPQGHXEGBWFIL-MHZLTWQESA-N 0 0 389.392 4.181 50 5 GIBARN Cc1ccc(NC(=O)[C@H](Sc2nccn2C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006369237 570401855 /nfs/dbraw/zinc/40/18/55/570401855.db2.gz YZQAOVFOLSSAAU-QGZVFWFLSA-N 0 0 382.445 4.109 50 5 GIBARN COc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N)c2[N+](=O)[O-])cc1 ZINC000005100988 570417492 /nfs/dbraw/zinc/41/74/92/570417492.db2.gz QOMDERHXBDEDJE-UHFFFAOYSA-N 0 0 386.799 4.116 50 5 GIBARN COc1ccc(N[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000005119475 570420300 /nfs/dbraw/zinc/42/03/00/570420300.db2.gz GQKYRHAIFSTEOF-SECBINFHSA-N 0 0 384.219 4.349 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCCC2)c2ccncc12 ZINC000026925545 570454503 /nfs/dbraw/zinc/45/45/03/570454503.db2.gz JDOVANDFGIGEGR-UHFFFAOYSA-N 0 0 390.443 4.315 50 5 GIBARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000006543941 570473844 /nfs/dbraw/zinc/47/38/44/570473844.db2.gz HJXAXTFCYXTUMU-UHFFFAOYSA-N 0 0 390.823 4.169 50 5 GIBARN O=C1OC(c2ccc(Cl)cc2)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005173861 570492350 /nfs/dbraw/zinc/49/23/50/570492350.db2.gz VRKKLZVYLFJHGV-JYRVWZFOSA-N 0 0 378.171 4.159 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000005185611 570498342 /nfs/dbraw/zinc/49/83/42/570498342.db2.gz UREWAHWOTKQQPK-HKWRFOASSA-N 0 0 387.395 4.004 50 5 GIBARN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccccc2)CC1 ZINC000006607601 570499069 /nfs/dbraw/zinc/49/90/69/570499069.db2.gz OSNJDPZESPXVCK-CQSZACIVSA-N 0 0 385.851 4.365 50 5 GIBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cccc(Cl)c2Cl)c(Cl)c1 ZINC000006626431 570510046 /nfs/dbraw/zinc/51/00/46/570510046.db2.gz FHKXIZXBJXEOQA-UHFFFAOYSA-N 0 0 382.608 4.323 50 5 GIBARN CSc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000006639389 570513173 /nfs/dbraw/zinc/51/31/73/570513173.db2.gz QHBYKIGSYOJXKJ-UHFFFAOYSA-N 0 0 379.869 4.041 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1N[C@@H](NC(=O)c1cccs1)C(=O)c1ccccc1 ZINC000004321253 570558588 /nfs/dbraw/zinc/55/85/88/570558588.db2.gz ZSXIIHJWIRVOAC-IBGZPJMESA-N 0 0 395.440 4.016 50 5 GIBARN Cc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c43)C2=O)c(C)c1 ZINC000005362657 570564182 /nfs/dbraw/zinc/56/41/82/570564182.db2.gz JOGZEKUGTOWDDT-UHFFFAOYSA-N 0 0 391.339 4.074 50 5 GIBARN CCC(=O)Oc1cn(Cc2ccco2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000005453887 570598063 /nfs/dbraw/zinc/59/80/63/570598063.db2.gz PBTSXZGLAJFPGC-UHFFFAOYSA-N 0 0 388.427 4.356 50 5 GIBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000036347293 570629096 /nfs/dbraw/zinc/62/90/96/570629096.db2.gz RGXQGDLPXPWSLV-NRFANRHFSA-N 0 0 392.415 4.300 50 5 GIBARN O=[N+]([O-])c1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000036347771 570630407 /nfs/dbraw/zinc/63/04/07/570630407.db2.gz WQRRWVRQHLATEY-NRFANRHFSA-N 0 0 392.415 4.300 50 5 GIBARN COc1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])c1 ZINC000036347809 570630469 /nfs/dbraw/zinc/63/04/69/570630469.db2.gz GWSLORKOMLOZGX-QFIPXVFZSA-N 0 0 377.444 4.400 50 5 GIBARN Cc1cc2oc(=O)c3c(c2cc1OCC(=O)c1cccc([N+](=O)[O-])c1)CCCC3 ZINC000005547370 570630887 /nfs/dbraw/zinc/63/08/87/570630887.db2.gz QORMLAQWPYQQJK-UHFFFAOYSA-N 0 0 393.395 4.150 50 5 GIBARN CCOC(=O)c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)n2ccc3ccccc3c12 ZINC000005592848 570665174 /nfs/dbraw/zinc/66/51/74/570665174.db2.gz DRYRGQKCYJQGPO-UHFFFAOYSA-N 0 0 388.379 4.408 50 5 GIBARN O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1[N+](=O)[O-] ZINC000006885941 570680526 /nfs/dbraw/zinc/68/05/26/570680526.db2.gz LYNQSDVCKIGUSU-UHFFFAOYSA-N 0 0 390.804 4.258 50 5 GIBARN COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000006946916 570717795 /nfs/dbraw/zinc/71/77/95/570717795.db2.gz WLPBUVFERUSNLU-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN Cn1c2cc3ccccc3cc2nc(-c2cc(Br)ccc2N)c1=O ZINC000000983418 570743300 /nfs/dbraw/zinc/74/33/00/570743300.db2.gz QSBTWLGTQDVETL-UHFFFAOYSA-N 0 0 380.245 4.098 50 5 GIBARN CCc1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)c(Br)c1 ZINC000001145130 570755227 /nfs/dbraw/zinc/75/52/27/570755227.db2.gz DYEGVGAHMWAISY-UHFFFAOYSA-N 0 0 393.237 4.246 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(Cl)ccc1Cl ZINC000001179834 570789925 /nfs/dbraw/zinc/78/99/25/570789925.db2.gz GVSVXEBTMCJSPB-QPJJXVBHSA-N 0 0 396.255 4.428 50 5 GIBARN O=C(OCc1ncc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005972192 570811010 /nfs/dbraw/zinc/81/10/10/570811010.db2.gz ADEKZROMDAYVHY-UHFFFAOYSA-N 0 0 393.399 4.207 50 5 GIBARN O=C(NCCCSc1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005689579 570811405 /nfs/dbraw/zinc/81/14/05/570811405.db2.gz RDVAYXSSWGGEHT-UHFFFAOYSA-N 0 0 385.489 4.107 50 5 GIBARN COc1ccc(C)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000005699769 570818242 /nfs/dbraw/zinc/81/82/42/570818242.db2.gz YTKOENWZTDFNFZ-UHFFFAOYSA-N 0 0 383.448 4.400 50 5 GIBARN COc1ccc(CSCC(=O)Nc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000032815741 570828586 /nfs/dbraw/zinc/82/85/86/570828586.db2.gz HKKSZKJUZATPFO-UHFFFAOYSA-N 0 0 389.458 4.085 50 5 GIBARN CC(C)[C@@H](NC(=O)/C=C/c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000101718477 570829871 /nfs/dbraw/zinc/82/98/71/570829871.db2.gz WSUVAACAUVEMKF-BNOPAZPUSA-N 0 0 392.415 4.172 50 5 GIBARN CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000032823779 570838125 /nfs/dbraw/zinc/83/81/25/570838125.db2.gz PCYNQEVUTMBVPG-UHFFFAOYSA-N 0 0 387.779 4.302 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O ZINC000004540025 570851536 /nfs/dbraw/zinc/85/15/36/570851536.db2.gz PLBGUGUNAYHKGR-FQEVSTJZSA-N 0 0 388.379 4.301 50 5 GIBARN COc1cccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 ZINC000004557604 570864030 /nfs/dbraw/zinc/86/40/30/570864030.db2.gz SKINFOVXNPTTGT-OUKQBFOZSA-N 0 0 399.406 4.473 50 5 GIBARN Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000098009196 570915747 /nfs/dbraw/zinc/91/57/47/570915747.db2.gz SOGKHRDPCQWPPN-TWGQIWQCSA-N 0 0 376.372 4.137 50 5 GIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004072631 570929736 /nfs/dbraw/zinc/92/97/36/570929736.db2.gz UAEBRQYGCIMKFH-UHFFFAOYSA-N 0 0 378.753 4.018 50 5 GIBARN CC(C)N=c1ccccn1C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000252463511 570961173 /nfs/dbraw/zinc/96/11/73/570961173.db2.gz MKPQFYAPPFHHEC-UHFFFAOYSA-N 0 0 399.394 4.157 50 5 GIBARN O=C(O[C@@H]1/C(=C/c2ccccc2F)N2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000001406574 570981212 /nfs/dbraw/zinc/98/12/12/570981212.db2.gz DSQVOWOSMHYSOX-DTBYZMGXSA-N 0 0 382.391 4.026 50 5 GIBARN COc1cccc(N2CCN(C(=O)c3cc4ccccc4c4cccnc34)CC2)c1 ZINC000045881703 570998014 /nfs/dbraw/zinc/99/80/14/570998014.db2.gz HYVUSPUDPYTMFZ-UHFFFAOYSA-N 0 0 397.478 4.359 50 5 GIBARN C[C@@H](NC(=O)N[C@@H]1CCSc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000084656323 571029906 /nfs/dbraw/zinc/02/99/06/571029906.db2.gz STBGXMFVZSBFMW-BDJLRTHQSA-N 0 0 375.425 4.331 50 5 GIBARN CCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002302989 817383373 /nfs/dbraw/zinc/38/33/73/817383373.db2.gz CXCMMHMHEOHTEQ-UHFFFAOYSA-N 0 0 383.455 4.143 50 5 GIBARN CCCOc1cccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000002307675 817383442 /nfs/dbraw/zinc/38/34/42/817383442.db2.gz MVMHULYWPZOGCX-YBEGLDIGSA-N 0 0 386.791 4.382 50 5 GIBARN O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1C1CCCCC1 ZINC000002318903 817383782 /nfs/dbraw/zinc/38/37/82/817383782.db2.gz ZCYLNSXPZIVWDW-UHFFFAOYSA-N 0 0 399.454 4.441 50 5 GIBARN O=c1c2ccc3c(c2oc(C(F)(F)F)c1-c1ccc([N+](=O)[O-])cc1)OCCO3 ZINC000002322661 817384519 /nfs/dbraw/zinc/38/45/19/817384519.db2.gz CAOBBSNZMNUDOA-UHFFFAOYSA-N 0 0 393.273 4.158 50 5 GIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000002407591 817387446 /nfs/dbraw/zinc/38/74/46/817387446.db2.gz CZYSWMMLIRBCBD-OAHLLOKOSA-N 0 0 383.455 4.314 50 5 GIBARN CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)c1nc2ccccc2[nH]1 ZINC000002629822 817394204 /nfs/dbraw/zinc/39/42/04/817394204.db2.gz WUMUNBKXVUXRFC-INIZCTEOSA-N 0 0 384.461 4.004 50 5 GIBARN CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000002721972 817398499 /nfs/dbraw/zinc/39/84/99/817398499.db2.gz ZBYGCFHGNNJSOI-UHFFFAOYSA-N 0 0 387.779 4.159 50 5 GIBARN O=C(Oc1ccc(C=C2SC(=S)NC2=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000002903109 817404931 /nfs/dbraw/zinc/40/49/31/817404931.db2.gz XCFMWXLBLMCKJP-RIYZIHGNSA-N 0 0 386.410 4.143 50 5 GIBARN O=C(NCc1ccc(Cl)cc1)c1cccn2c(=O)c3cc(Cl)ccc3nc12 ZINC000002957361 817408931 /nfs/dbraw/zinc/40/89/31/817408931.db2.gz ILLDNXOHDGUHBP-UHFFFAOYSA-N 0 0 398.249 4.085 50 5 GIBARN CCOC(=O)c1c(Nc2ccc(OC)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000002997899 817410780 /nfs/dbraw/zinc/41/07/80/817410780.db2.gz FPHAKSSGWQFOLP-UHFFFAOYSA-N 0 0 376.434 4.464 50 5 GIBARN Cc1nn([C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000003446142 817457460 /nfs/dbraw/zinc/45/74/60/817457460.db2.gz QMUDLMPWFVJCQO-INIZCTEOSA-N 0 0 394.431 4.187 50 5 GIBARN Nc1ccc(Oc2ccc(Oc3ccc(N)c([N+](=O)[O-])c3)cc2)cc1[N+](=O)[O-] ZINC000003878201 817494912 /nfs/dbraw/zinc/49/49/12/817494912.db2.gz PBRWAQLRJROVMB-UHFFFAOYSA-N 0 0 382.332 4.252 50 5 GIBARN O=C(Nc1ccccc1F)c1cc(C(=O)Nc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000004309883 817518949 /nfs/dbraw/zinc/51/89/49/817518949.db2.gz UKXXKWNQCQLOQY-UHFFFAOYSA-N 0 0 397.337 4.378 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000005203512 817560516 /nfs/dbraw/zinc/56/05/16/817560516.db2.gz UZNWDLUWTNNJLS-UHFFFAOYSA-N 0 0 390.424 4.447 50 5 GIBARN O=c1ccc(-c2cccc([N+](=O)[O-])c2)nn1Cc1csc(-c2cccs2)n1 ZINC000057814472 823335827 /nfs/dbraw/zinc/33/58/27/823335827.db2.gz IQSJNSSUYSLNRR-UHFFFAOYSA-N 0 0 396.453 4.052 50 5 GIBARN COc1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 ZINC000020100675 818613433 /nfs/dbraw/zinc/61/34/33/818613433.db2.gz NLFCOEBEGBOGGH-UHFFFAOYSA-N 0 0 379.328 4.257 50 5 GIBARN O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000021085434 818652309 /nfs/dbraw/zinc/65/23/09/818652309.db2.gz RJDYDJJALRJUGN-UHFFFAOYSA-N 0 0 376.368 4.378 50 5 GIBARN CC(=O)N1N=C(c2ccc(Cl)c([N+](=O)[O-])c2)O[C@H]1c1cccc(Cl)c1 ZINC000021091822 818652333 /nfs/dbraw/zinc/65/23/33/818652333.db2.gz BBFROJMNKRNBBW-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN Cc1noc(/C=C/c2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1[N+](=O)[O-] ZINC000021112420 818654760 /nfs/dbraw/zinc/65/47/60/818654760.db2.gz KMFBVMCPPNYXNX-DHZHZOJOSA-N 0 0 399.428 4.171 50 5 GIBARN COc1ccccc1/C=C/C=C1\N=C(c2cc([N+](=O)[O-])ccc2Cl)OC1=O ZINC000027519815 820256060 /nfs/dbraw/zinc/25/60/60/820256060.db2.gz LZISUTIXVCXOJQ-ZGCWVLQWSA-N 0 0 384.775 4.158 50 5 GIBARN COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c([N+](=O)[O-])cc1O ZINC000028653348 820347608 /nfs/dbraw/zinc/34/76/08/820347608.db2.gz JGVMESJFYJTSJV-NRFANRHFSA-N 0 0 388.383 4.298 50 5 GIBARN O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1)c1ccncc1 ZINC000031966354 820881694 /nfs/dbraw/zinc/88/16/94/820881694.db2.gz HCPNUWZYKUPRNU-UHFFFAOYSA-N 0 0 396.790 4.148 50 5 GIBARN Cc1cc(N(C)C)ccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000040111580 821139572 /nfs/dbraw/zinc/13/95/72/821139572.db2.gz ZMRACIOWUWQAOI-UHFFFAOYSA-N 0 0 385.467 4.168 50 5 GIBARN O=c1c2c(-c3ccccc3)csc2ncn1CCOc1cccc([N+](=O)[O-])c1 ZINC000040116917 821141262 /nfs/dbraw/zinc/14/12/62/821141262.db2.gz UDJKXFLOCQDJRZ-UHFFFAOYSA-N 0 0 393.424 4.112 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(COc2ccccc2F)o1 ZINC000040130848 821144366 /nfs/dbraw/zinc/14/43/66/821144366.db2.gz YEKSAWSHRGBVNX-UHFFFAOYSA-N 0 0 386.335 4.167 50 5 GIBARN Cc1cc(NC[C@@H]2CCN(c3ccccc3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040153612 821151304 /nfs/dbraw/zinc/15/13/04/821151304.db2.gz YCMGSOKWVKSNNC-KRWDZBQOSA-N 0 0 389.459 4.299 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000055438068 822962844 /nfs/dbraw/zinc/96/28/44/822962844.db2.gz SPOACHSGUGAFBR-UHFFFAOYSA-N 0 0 380.473 4.041 50 5 GIBARN Cn1c(COc2ccccc2)nnc1Sc1ccc([N+](=O)[O-])c2cccnc12 ZINC000008375638 230863262 /nfs/dbraw/zinc/86/32/62/230863262.db2.gz FAYADOSFSAKGRY-UHFFFAOYSA-N 0 0 393.428 4.002 50 5 GIBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N[C@H]3CCCC[C@H]3C)c12 ZINC000036618364 230925927 /nfs/dbraw/zinc/92/59/27/230925927.db2.gz UYUMWNUVVKLWPC-PXAZEXFGSA-N 0 0 394.431 4.415 50 5 GIBARN CCc1ccc([C@H](C)NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000032777384 529720303 /nfs/dbraw/zinc/72/03/03/529720303.db2.gz JKKSMJBICIKPSW-LBPRGKRZSA-N 0 0 385.445 4.268 50 5 GIBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c(C)c1 ZINC000002025795 212262337 /nfs/dbraw/zinc/26/23/37/212262337.db2.gz IGWMQUKPEAKKAU-UHFFFAOYSA-N 0 0 398.400 4.496 50 5 GIBARN Cc1ccc(OCc2nc(-c3cc(C)nc4ccccc43)no2)c([N+](=O)[O-])c1 ZINC000001426802 212243897 /nfs/dbraw/zinc/24/38/97/212243897.db2.gz ITPLCPBDBKXDDZ-UHFFFAOYSA-N 0 0 376.372 4.389 50 5 GIBARN Cc1nn(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccccc1 ZINC000001190194 212226734 /nfs/dbraw/zinc/22/67/34/212226734.db2.gz HAIDHYKYWXJUGR-UHFFFAOYSA-N 0 0 383.429 4.279 50 5 GIBARN Cc1ccc(Sc2nc([N+](=O)[O-])nn2CC(=O)c2ccc(Cl)cc2)cc1 ZINC000001127541 212220066 /nfs/dbraw/zinc/22/00/66/212220066.db2.gz ZZLVXJVHHVVPJG-UHFFFAOYSA-N 0 0 388.836 4.182 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000001165911 212225359 /nfs/dbraw/zinc/22/53/59/212225359.db2.gz CAIMYXKIYFNLJJ-QPJJXVBHSA-N 0 0 386.367 4.450 50 5 GIBARN O=C(c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)n1nnc2ccccc21 ZINC000001166950 212225094 /nfs/dbraw/zinc/22/50/94/212225094.db2.gz FOADHBHTIRHGIS-UHFFFAOYSA-N 0 0 394.774 4.474 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)n1nc(-c2ccccc2)nc1NCc1ccccc1 ZINC000001118885 212218801 /nfs/dbraw/zinc/21/88/01/212218801.db2.gz IDSGYWPTICJOGF-UHFFFAOYSA-N 0 0 399.410 4.154 50 5 aggregator GIBARN O=C1N[C@@H](c2ccc([N+](=O)[O-])cc2)Nc2c1sc(=S)n2-c1ccccc1 ZINC000001059889 212210734 /nfs/dbraw/zinc/21/07/34/212210734.db2.gz VETAONACIBLEKE-AWEZNQCLSA-N 0 0 384.442 4.031 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CCCC2 ZINC000000974475 212201184 /nfs/dbraw/zinc/20/11/84/212201184.db2.gz ZXVYRICUDCABTD-UHFFFAOYSA-N 0 0 388.445 4.273 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000000943479 212196759 /nfs/dbraw/zinc/19/67/59/212196759.db2.gz BFNQFACEGLTWQF-LLVKDONJSA-N 0 0 388.445 4.210 50 5 GIBARN CCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000000911827 212194371 /nfs/dbraw/zinc/19/43/71/212194371.db2.gz ZVEXCKTYSVDWCO-BJMVGYQFSA-N 0 0 397.412 4.033 50 5 GIBARN O=C(N[C@@H](Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl)c1cccs1 ZINC000000824923 212185168 /nfs/dbraw/zinc/18/51/68/212185168.db2.gz QONJPLCXAHEKIV-GFCCVEGCSA-N 0 0 394.667 4.195 50 5 GIBARN Cc1sc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C(N)=O)c1-c1ccccc1 ZINC000000676213 212172789 /nfs/dbraw/zinc/17/27/89/212172789.db2.gz VWKPTZORZJXFOF-UHFFFAOYSA-N 0 0 395.440 4.291 50 5 aggregator GIBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1I ZINC000013140847 212116232 /nfs/dbraw/zinc/11/62/32/212116232.db2.gz BZEDYMPASJUHBV-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN CCCCn1c(=O)nc2n(-c3ccc(C)cc3)c3cccc(Cl)c3cc-2c1=O ZINC000002236257 220512882 /nfs/dbraw/zinc/51/28/82/220512882.db2.gz KJBDZBBALJUJQT-UHFFFAOYSA-N 0 0 393.874 4.414 50 5 GIBARN CCCCOCCCn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000002435385 220533549 /nfs/dbraw/zinc/53/35/49/220533549.db2.gz JMOOCHDHZVZYIS-UHFFFAOYSA-N 0 0 394.475 4.278 50 5 GIBARN Cc1c(C(=O)Nc2scc(-c3cccs3)c2C(N)=O)cccc1[N+](=O)[O-] ZINC000002760790 220562851 /nfs/dbraw/zinc/56/28/51/220562851.db2.gz PSIOQRBFSWZQJF-UHFFFAOYSA-N 0 0 387.442 4.044 50 5 GIBARN Cc1cc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1[N+](=O)[O-] ZINC000003249459 220615566 /nfs/dbraw/zinc/61/55/66/220615566.db2.gz QMLOYBPMWLOBKY-UHFFFAOYSA-N 0 0 391.431 4.140 50 5 GIBARN C[C@H](Sc1nc2ccccc2n1C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000003400483 220639852 /nfs/dbraw/zinc/63/98/52/220639852.db2.gz HXWTVCALXSKVDT-JTQLQIEISA-N 0 0 390.852 4.254 50 5 GIBARN CC(=O)c1ccc(Nc2ncnc(Nc3ccc(C(C)=O)cc3)c2[N+](=O)[O-])cc1 ZINC000004007431 220670637 /nfs/dbraw/zinc/67/06/37/220670637.db2.gz YRKWGJBQBKRZCZ-UHFFFAOYSA-N 0 0 391.387 4.277 50 5 GIBARN O=C(Nc1nc2ccc(Br)cc2s1)c1ccc([N+](=O)[O-])s1 ZINC000004069874 220675876 /nfs/dbraw/zinc/67/58/76/220675876.db2.gz KUFBNTLOHDRJTG-UHFFFAOYSA-N 0 0 384.236 4.281 50 5 GIBARN O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1 ZINC000004120134 220683796 /nfs/dbraw/zinc/68/37/96/220683796.db2.gz YUKDLUQDIHLMIN-UHFFFAOYSA-N 0 0 381.413 4.086 50 5 GIBARN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304726 220703831 /nfs/dbraw/zinc/70/38/31/220703831.db2.gz NGYZUGKRZJKWJM-UHFFFAOYSA-N 0 0 390.424 4.447 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNC(=S)Nc1ccccc1 ZINC000004336309 220708198 /nfs/dbraw/zinc/70/81/98/220708198.db2.gz AIXZKZYXXVOZBX-UHFFFAOYSA-N 0 0 384.383 4.012 50 5 GIBARN N=c1oc2ccc([N+](=O)[O-])cc2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000004511161 220722917 /nfs/dbraw/zinc/72/29/17/220722917.db2.gz ZUCLCGHSBRCYBI-UHFFFAOYSA-N 0 0 377.278 4.092 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000004680683 220746957 /nfs/dbraw/zinc/74/69/57/220746957.db2.gz YRDSLMGHKKQKKR-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1[N+](=O)[O-] ZINC000004827835 220770219 /nfs/dbraw/zinc/77/02/19/220770219.db2.gz OWEMARCTCSFHTD-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN O=C(NCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000004864997 220779924 /nfs/dbraw/zinc/77/99/24/220779924.db2.gz IIXUCXXTLDBKAM-XMHGGMMESA-N 0 0 398.422 4.328 50 5 GIBARN O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000005203527 220843172 /nfs/dbraw/zinc/84/31/72/220843172.db2.gz ZKFFLFBLYJQWPQ-UHFFFAOYSA-N 0 0 390.424 4.447 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2c(ccc3ccccc23)s1 ZINC000006218189 220925426 /nfs/dbraw/zinc/92/54/26/220925426.db2.gz XLOWUAMEBVKILS-UHFFFAOYSA-N 0 0 379.397 4.375 50 5 GIBARN CC[C@@H]1CCCCN1C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccc(OC)cc1 ZINC000006537291 220939366 /nfs/dbraw/zinc/93/93/66/220939366.db2.gz HMXPAIFFGHDBLJ-QGZVFWFLSA-N 0 0 398.459 4.440 50 5 GIBARN Cc1ccc(NS(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000006653317 220947364 /nfs/dbraw/zinc/94/73/64/220947364.db2.gz IAGCETJVIIBGQX-UHFFFAOYSA-N 0 0 389.477 4.003 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 ZINC000007594392 221001982 /nfs/dbraw/zinc/00/19/82/221001982.db2.gz METBWUOGAOLEQW-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000007889743 221016098 /nfs/dbraw/zinc/01/60/98/221016098.db2.gz HHIBRXWQPXVAKG-IBGZPJMESA-N 0 0 386.404 4.080 50 5 GIBARN CSc1nnc(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)s1 ZINC000008883750 221062597 /nfs/dbraw/zinc/06/25/97/221062597.db2.gz AGFNBCNXDSCLBR-SSDOTTSWSA-N 0 0 381.464 4.072 50 5 GIBARN NC(=O)[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)c1ccccc1 ZINC000008744844 221054305 /nfs/dbraw/zinc/05/43/05/221054305.db2.gz WIIMCBDDJLVCKE-LJQANCHMSA-N 0 0 384.464 4.354 50 5 GIBARN Cc1ccc(C)c(NC(=O)COc2cc(O)c3c(c2)oc2ccccc2c3=O)c1 ZINC000009476643 221081277 /nfs/dbraw/zinc/08/12/77/221081277.db2.gz LATPORJAFWTZSE-UHFFFAOYSA-N 0 0 389.407 4.286 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCN(Cc3ccc(Cl)s3)CC2)c2ccncc21 ZINC000012554582 221205991 /nfs/dbraw/zinc/20/59/91/221205991.db2.gz PFZDXOZWGBCUNA-UHFFFAOYSA-N 0 0 388.880 4.180 50 5 GIBARN COc1ccc(O)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 ZINC000012568107 221208267 /nfs/dbraw/zinc/20/82/67/221208267.db2.gz DUBSXNABFDRVEQ-UHFFFAOYSA-N 0 0 376.364 4.017 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000012640843 221216587 /nfs/dbraw/zinc/21/65/87/221216587.db2.gz CAOBYGZARVCOFL-UHFFFAOYSA-N 0 0 388.383 4.156 50 5 GIBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000012739830 221222686 /nfs/dbraw/zinc/22/26/86/221222686.db2.gz IYHXIRXMZQWNLZ-UHFFFAOYSA-N 0 0 398.850 4.225 50 5 GIBARN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1C ZINC000012747152 221224261 /nfs/dbraw/zinc/22/42/61/221224261.db2.gz UMZDDAGHGXHLNH-AWEZNQCLSA-N 0 0 388.445 4.340 50 5 GIBARN COc1ccc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1Cc1ccccc1 ZINC000012869609 221240153 /nfs/dbraw/zinc/24/01/53/221240153.db2.gz JFOMGOVOTZXYQI-UHFFFAOYSA-N 0 0 392.411 4.455 50 5 GIBARN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)c1ccc([N+](=O)[O-])cn1 ZINC000013015274 221257691 /nfs/dbraw/zinc/25/76/91/221257691.db2.gz BGOLOFLZXMIJCV-HNNXBMFYSA-N 0 0 376.416 4.440 50 5 GIBARN CCC(=O)Nc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cs1 ZINC000013855785 221292005 /nfs/dbraw/zinc/29/20/05/221292005.db2.gz JMYQXIHERRKRKL-UHFFFAOYSA-N 0 0 396.428 4.319 50 5 GIBARN COc1ccc([C@@H](NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2)cc1 ZINC000014157911 221301164 /nfs/dbraw/zinc/30/11/64/221301164.db2.gz QBTQDFJCQCMYLA-QFIPXVFZSA-N 0 0 376.412 4.052 50 5 GIBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc([N+](=O)[O-])s1 ZINC000017170227 221381511 /nfs/dbraw/zinc/38/15/11/221381511.db2.gz KSOZYEXAJMVHSW-UHFFFAOYSA-N 0 0 382.404 4.002 50 5 GIBARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2cccc([N+](=O)[O-])c2)cs1 ZINC000017524526 221383500 /nfs/dbraw/zinc/38/35/00/221383500.db2.gz DDBWTMMUEXWPQJ-UHFFFAOYSA-N 0 0 394.456 4.028 50 5 GIBARN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000017081620 221378389 /nfs/dbraw/zinc/37/83/89/221378389.db2.gz BFZKTXSLUQOALQ-UHFFFAOYSA-N 0 0 398.850 4.291 50 5 GIBARN O=c1oc2c(ccc3c2CN(CCc2ccccc2F)CO3)c2ccccc12 ZINC000019882483 221462271 /nfs/dbraw/zinc/46/22/71/221462271.db2.gz NWZHNFYELBNBSK-UHFFFAOYSA-N 0 0 375.399 4.480 50 5 GIBARN CC(=O)N1N=C(c2ccccc2[N+](=O)[O-])O[C@H]1c1ccc(Cl)cc1Cl ZINC000020946071 221520921 /nfs/dbraw/zinc/52/09/21/221520921.db2.gz ZXXZZQRLKSNZSQ-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN CC(=O)N1N=C(CNc2cccc3ccccc32)O[C@@H]1c1ccc([N+](=O)[O-])s1 ZINC000021090945 221526080 /nfs/dbraw/zinc/52/60/80/221526080.db2.gz YWWLDZJTPONEGL-LJQANCHMSA-N 0 0 396.428 4.112 50 5 GIBARN O=C(Nc1nc(-c2ccco2)cs1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000040111353 132396827 /nfs/dbraw/zinc/39/68/27/132396827.db2.gz ZXGBCXFHCITLIC-UHFFFAOYSA-N 0 0 398.444 4.166 50 5 GIBARN C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1CCCc2cc(F)c(F)cc21 ZINC000095377477 136178395 /nfs/dbraw/zinc/17/83/95/136178395.db2.gz UURIOQSBADVGEB-SNVBAGLBSA-N 0 0 396.777 4.273 50 5 GIBARN C[C@@H](OC(=O)CSc1ccsc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc21 ZINC000032934803 221753135 /nfs/dbraw/zinc/75/31/35/221753135.db2.gz YMKBMIWOFSOWTH-SNVBAGLBSA-N 0 0 390.442 4.044 50 5 GIBARN Cc1ccc([C@H]2N[C@@H](c3ccc(C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000034257395 221798693 /nfs/dbraw/zinc/79/86/93/221798693.db2.gz BOQWUPHUSDEKCJ-JVSBHGNQSA-N 0 0 383.448 4.006 50 5 aggregator GIBARN CCc1cc(NC[C@@H](O)c2ccc(Cl)cc2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000059984963 222057641 /nfs/dbraw/zinc/05/76/41/222057641.db2.gz PENDEKHXOSMDNH-GOSISDBHSA-N 0 0 398.850 4.413 50 5 GIBARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000063979666 222068945 /nfs/dbraw/zinc/06/89/45/222068945.db2.gz UTYMHYMJCSJUNC-UHFFFAOYSA-N 0 0 382.445 4.400 50 5 GIBARN CSc1ccc(C(=O)Nc2cnc(Br)c(C)c2)cc1[N+](=O)[O-] ZINC000096009008 222370463 /nfs/dbraw/zinc/37/04/63/222370463.db2.gz RQTCBVOQAYNAEW-UHFFFAOYSA-N 0 0 382.239 4.035 50 5 GIBARN COc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1-c1noc(-c2ccncc2)n1 ZINC000066089147 533809055 /nfs/dbraw/zinc/80/90/55/533809055.db2.gz BXVXBTYCNUZKFT-UHFFFAOYSA-N 0 0 388.383 4.306 50 5 GIBARN O=C(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000008185929 527114304 /nfs/dbraw/zinc/11/43/04/527114304.db2.gz XLOYCVDNQWCLTM-OAHLLOKOSA-N 0 0 376.796 4.058 50 5 GIBARN CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2nn(-c3ccccc3)nc2C)c1 ZINC000004300553 570217734 /nfs/dbraw/zinc/21/77/34/570217734.db2.gz UBVVVTDHZQXFDZ-UHFFFAOYSA-N 0 0 397.460 4.238 50 5 GIBARN Cc1cccc(OC2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c1C ZINC000048272285 570225590 /nfs/dbraw/zinc/22/55/90/570225590.db2.gz UGLTUUIZNXIPDM-UHFFFAOYSA-N 0 0 380.448 4.062 50 5 GIBARN O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006062095 570232312 /nfs/dbraw/zinc/23/23/12/570232312.db2.gz IQTRNMGDDMKSSQ-UHFFFAOYSA-N 0 0 377.824 4.191 50 5 GIBARN CC(C)(C)c1ccc(NC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000043171885 570234051 /nfs/dbraw/zinc/23/40/51/570234051.db2.gz CXGYEZDDPMIUJS-UHFFFAOYSA-N 0 0 382.464 4.246 50 5 GIBARN O=C(Nc1ccc(F)cc1)NC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000048300096 570234031 /nfs/dbraw/zinc/23/40/31/570234031.db2.gz QKLNSNYVBKFADU-UHFFFAOYSA-N 0 0 392.818 4.178 50 5 GIBARN O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(Cc3ccccc3)c(=O)c12 ZINC000002203837 570278764 /nfs/dbraw/zinc/27/87/64/570278764.db2.gz NEPWRBZALXPQCS-UHFFFAOYSA-N 0 0 398.393 4.357 50 5 GIBARN Clc1ccc(-c2c3c(nc4c2CCCC4)sc2c4nnnn4cnc23)cc1 ZINC000000642964 570279358 /nfs/dbraw/zinc/27/93/58/570279358.db2.gz YDYLUXXEMZBOQA-UHFFFAOYSA-N 0 0 392.875 4.481 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1O ZINC000004827598 570284207 /nfs/dbraw/zinc/28/42/07/570284207.db2.gz VJMQVSYPSNIZGQ-SDNWHVSQSA-N 0 0 385.379 4.170 50 5 GIBARN CCC(=O)C[C@H](c1ccc([N+](=O)[O-])cc1)c1c(=O)oc2ccccc2c1OC ZINC000000753762 570313128 /nfs/dbraw/zinc/31/31/28/570313128.db2.gz JGFRWAOCRVYMMX-QGZVFWFLSA-N 0 0 381.384 4.211 50 5 GIBARN C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000004842759 570313391 /nfs/dbraw/zinc/31/33/91/570313391.db2.gz SUBKCUQRSIWBIX-MRXNPFEDSA-N 0 0 376.412 4.268 50 5 GIBARN COc1ccc(OC)c(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 ZINC000004903690 570360974 /nfs/dbraw/zinc/36/09/74/570360974.db2.gz CIORGIWOMIGBQB-AWEZNQCLSA-N 0 0 399.447 4.101 50 5 GIBARN C[C@H](NC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12)c1ccccc1 ZINC000024479372 570384505 /nfs/dbraw/zinc/38/45/05/570384505.db2.gz PBUSDTBIYYQWGU-DLVCFXQMSA-N 0 0 379.460 4.003 50 5 GIBARN C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005018431 570397340 /nfs/dbraw/zinc/39/73/40/570397340.db2.gz AFUCQFGEVULJPJ-JTQLQIEISA-N 0 0 394.836 4.139 50 5 GIBARN COc1cc(/C=C/c2ccc3cccc(OC)c3n2)c(OC(C)=O)c([N+](=O)[O-])c1 ZINC000005065635 570409244 /nfs/dbraw/zinc/40/92/44/570409244.db2.gz DBGCMZKUJJBDQZ-CSKARUKUSA-N 0 0 394.383 4.256 50 5 GIBARN Cc1ccc(Cn2cnc3c(c4nc5ccccc5nc4n3CC(C)C)c2=O)cc1 ZINC000005065514 570409598 /nfs/dbraw/zinc/40/95/98/570409598.db2.gz QKMSZXFFABYHAT-UHFFFAOYSA-N 0 0 397.482 4.307 50 5 GIBARN Cc1ccc(NC(=O)[C@H](OC(=O)c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005080136 570413520 /nfs/dbraw/zinc/41/35/20/570413520.db2.gz VGPLQQFOSDGQEX-GOSISDBHSA-N 0 0 380.356 4.033 50 5 GIBARN O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc2ccccc21 ZINC000001948928 570450946 /nfs/dbraw/zinc/45/09/46/570450946.db2.gz ZBFVUBYTYIUZGI-UHFFFAOYSA-N 0 0 384.775 4.197 50 5 GIBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cc(Br)c[nH]1 ZINC000028176966 570451567 /nfs/dbraw/zinc/45/15/67/570451567.db2.gz HZLGBQYCBHXSDV-UHFFFAOYSA-N 0 0 398.212 4.394 50 5 GIBARN O=c1c2ccccc2oc2nc(-c3ccc(F)cc3)n(-c3ccccc3)c(=O)c12 ZINC000002327091 570472981 /nfs/dbraw/zinc/47/29/81/570472981.db2.gz UFZDARFFVZYJNE-UHFFFAOYSA-N 0 0 384.366 4.298 50 5 GIBARN Cc1nn(Cc2ccc(C(=O)N(C)[C@@H](C)c3cccs3)cc2)c(C)c1[N+](=O)[O-] ZINC000024236515 570481616 /nfs/dbraw/zinc/48/16/16/570481616.db2.gz COBMRMXGTXSNMP-AWEZNQCLSA-N 0 0 398.488 4.351 50 5 GIBARN COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 ZINC000006581278 570483198 /nfs/dbraw/zinc/48/31/98/570483198.db2.gz ZVNSKCIZWYNNEM-UHFFFAOYSA-N 0 0 399.428 4.148 50 5 GIBARN Cc1cc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)ccc1[N+](=O)[O-] ZINC000006596605 570489691 /nfs/dbraw/zinc/48/96/91/570489691.db2.gz KJCWLBKDFMZGOJ-ZROIWOOFSA-N 0 0 387.189 4.010 50 5 GIBARN CCOc1ccc(N2C(=O)Nc3cc(Cl)c(Cl)cc3N2O)c([N+](=O)[O-])c1 ZINC000005201015 570504685 /nfs/dbraw/zinc/50/46/85/570504685.db2.gz UGQXRQVTHCAORE-UHFFFAOYSA-N 0 0 399.190 4.463 50 5 GIBARN COc1ccc(NS(=O)(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000006623414 570506682 /nfs/dbraw/zinc/50/66/82/570506682.db2.gz AADYUFUWVYAHGF-UHFFFAOYSA-N 0 0 399.428 4.148 50 5 GIBARN Cc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000036247180 570580468 /nfs/dbraw/zinc/58/04/68/570580468.db2.gz CUFSKQQBJWKSTM-UHFFFAOYSA-N 0 0 382.441 4.299 50 5 GIBARN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc2ccccc2o1 ZINC000004591648 570621270 /nfs/dbraw/zinc/62/12/70/570621270.db2.gz REBAHXNKUKUMLC-UHFFFAOYSA-N 0 0 375.793 4.121 50 5 GIBARN Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] ZINC000003117638 570663279 /nfs/dbraw/zinc/66/32/79/570663279.db2.gz SWVVZLSYMMNFFV-UHFFFAOYSA-N 0 0 384.373 4.187 50 5 GIBARN Cn1c2ccccc2c(C(=O)COc2cccnc2[N+](=O)[O-])c1-c1ccccc1 ZINC000006922994 570706928 /nfs/dbraw/zinc/70/69/28/570706928.db2.gz MWSRKLRZCLMJJY-UHFFFAOYSA-N 0 0 387.395 4.410 50 5 GIBARN Cc1ccc(C(=O)C2CCN(Cn3ncc4cc([N+](=O)[O-])ccc43)CC2)c(C)c1 ZINC000025487500 570754102 /nfs/dbraw/zinc/75/41/02/570754102.db2.gz BPZVFOHYNWWAOW-UHFFFAOYSA-N 0 0 392.459 4.114 50 5 GIBARN Cc1c(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000001129613 570755666 /nfs/dbraw/zinc/75/56/66/570755666.db2.gz WRCOQTHDTVRLML-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000001181255 570790992 /nfs/dbraw/zinc/79/09/92/570790992.db2.gz AMWPDNONTBVANQ-QPJJXVBHSA-N 0 0 396.255 4.428 50 5 GIBARN CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001217994 570795842 /nfs/dbraw/zinc/79/58/42/570795842.db2.gz DAVRSIZSORRPIT-UHFFFAOYSA-N 0 0 382.825 4.356 50 5 GIBARN CN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000032760651 570796007 /nfs/dbraw/zinc/79/60/07/570796007.db2.gz QLRIIXIEPKSVRB-UHFFFAOYSA-N 0 0 385.420 4.147 50 5 GIBARN O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1cc(-c2ccco2)on1 ZINC000036709425 570798510 /nfs/dbraw/zinc/79/85/10/570798510.db2.gz NJEZNLTWZJJEOG-UHFFFAOYSA-N 0 0 388.386 4.280 50 5 GIBARN O=C(NCc1ccccc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005937887 570806462 /nfs/dbraw/zinc/80/64/62/570806462.db2.gz AQZBOHJOUWJLBR-UHFFFAOYSA-N 0 0 394.814 4.409 50 5 GIBARN O=[N+]([O-])c1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000005681857 570807994 /nfs/dbraw/zinc/80/79/94/570807994.db2.gz OSHOBPXDDMVBSF-UHFFFAOYSA-N 0 0 396.468 4.095 50 5 GIBARN CN(CC(=O)Nc1ccccc1Br)c1ccc([N+](=O)[O-])cc1Cl ZINC000005688424 570809928 /nfs/dbraw/zinc/80/99/28/570809928.db2.gz WEGGYCBUCHDSPR-UHFFFAOYSA-N 0 0 398.644 4.086 50 5 GIBARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])n1 ZINC000005969980 570810051 /nfs/dbraw/zinc/81/00/51/570810051.db2.gz FGEWLVVFJSUOFR-HNNXBMFYSA-N 0 0 393.399 4.497 50 5 GIBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004661895 570811996 /nfs/dbraw/zinc/81/19/96/570811996.db2.gz QGTRKGJIGFEQAL-UHFFFAOYSA-N 0 0 375.340 4.327 50 5 GIBARN Cc1ccc(OCCNC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000005701874 570827700 /nfs/dbraw/zinc/82/77/00/570827700.db2.gz KWDQCWZZQLZNIO-UHFFFAOYSA-N 0 0 397.475 4.092 50 5 GIBARN CCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000004688084 570828351 /nfs/dbraw/zinc/82/83/51/570828351.db2.gz WELUBLZFCIVHEL-UHFFFAOYSA-N 0 0 396.447 4.186 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccc2ncccc21 ZINC000012522457 570829074 /nfs/dbraw/zinc/82/90/74/570829074.db2.gz LENKJJALPZYGIM-UHFFFAOYSA-N 0 0 379.419 4.342 50 5 GIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000004683714 570829366 /nfs/dbraw/zinc/82/93/66/570829366.db2.gz QKFPZJUOXPEDBT-QZTJIDSGSA-N 0 0 393.443 4.195 50 5 GIBARN Cc1ccc(N2C(=O)c3cc([N+](=O)[O-])c(N4CCc5ccccc54)cc3C2=O)cc1 ZINC000004686368 570830757 /nfs/dbraw/zinc/83/07/57/570830757.db2.gz ZDMDNNVGWDIPIU-UHFFFAOYSA-N 0 0 399.406 4.398 50 5 GIBARN O=C(CSc1nnc(Cc2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000007342098 570831888 /nfs/dbraw/zinc/83/18/88/570831888.db2.gz LEXQYQURMWSMEA-UHFFFAOYSA-N 0 0 389.820 4.197 50 5 GIBARN Cc1ccc(SCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004702031 570842857 /nfs/dbraw/zinc/84/28/57/570842857.db2.gz NXPMXPZEVPNGHC-UHFFFAOYSA-N 0 0 376.503 4.045 50 5 GIBARN COc1cc2c(c([N+](=O)[O-])c1)O[C@]1(C=C2)N(C)c2ccc([N+](=O)[O-])cc2C1(C)C ZINC000004718380 570857039 /nfs/dbraw/zinc/85/70/39/570857039.db2.gz CJGCFUCMFXXPNW-FQEVSTJZSA-N 0 0 397.387 4.041 50 5 GIBARN COc1ccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)cc1OC1CCCC1 ZINC000024509216 570885734 /nfs/dbraw/zinc/88/57/34/570885734.db2.gz DPGACXDNPVZTKH-UHFFFAOYSA-N 0 0 396.403 4.053 50 5 GIBARN CC[C@H]1CCCCN1c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-] ZINC000034612875 570922062 /nfs/dbraw/zinc/92/20/62/570922062.db2.gz GSJDDBAZTFDDES-HNNXBMFYSA-N 0 0 378.432 4.267 50 5 GIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1c(F)cccc1Cl ZINC000004079012 570931145 /nfs/dbraw/zinc/93/11/45/570931145.db2.gz PREIZISRJGUXPH-UHFFFAOYSA-N 0 0 378.772 4.158 50 5 GIBARN Cc1c(C(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1F ZINC000025835716 570975187 /nfs/dbraw/zinc/97/51/87/570975187.db2.gz COLVDSSLTLYPAU-CYBMUJFWSA-N 0 0 382.395 4.061 50 5 GIBARN C[C@@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)c1cccc([N+](=O)[O-])c1 ZINC000084656326 571029875 /nfs/dbraw/zinc/02/98/75/571029875.db2.gz STBGXMFVZSBFMW-BZNIZROVSA-N 0 0 375.425 4.331 50 5 GIBARN O=[N+]([O-])c1cc2[nH]c(-c3ccco3)cc2c(S(=O)(=O)Cc2ccccc2)c1 ZINC000001080357 817374243 /nfs/dbraw/zinc/37/42/43/817374243.db2.gz XYTVWNRDASHPIM-UHFFFAOYSA-N 0 0 382.397 4.310 50 5 GIBARN Cc1ccc(NC(=O)Nc2nnc(Cc3ccc([N+](=O)[O-])cc3)s2)cc1C ZINC000002321754 817384453 /nfs/dbraw/zinc/38/44/53/817384453.db2.gz GCDSAQRNFZMYIH-UHFFFAOYSA-N 0 0 383.433 4.298 50 5 GIBARN O=C1S[C@H](Nc2cccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000002361103 817385574 /nfs/dbraw/zinc/38/55/74/817385574.db2.gz WALBNFYCIPCEFP-SFHVURJKSA-N 0 0 393.424 4.382 50 5 GIBARN Cc1cccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccccc2)c1 ZINC000002435005 817389168 /nfs/dbraw/zinc/38/91/68/817389168.db2.gz JRJOZTHQEMCCLC-UHFFFAOYSA-N 0 0 393.446 4.213 50 5 GIBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Br)cc1 ZINC000002454763 817389905 /nfs/dbraw/zinc/38/99/05/817389905.db2.gz CVGCCAZVEACDGI-UHFFFAOYSA-N 0 0 378.207 4.219 50 5 GIBARN Cc1ccc(OCC(=O)Nc2ccccc2Sc2ccccc2)c([N+](=O)[O-])n1 ZINC000002619896 817392749 /nfs/dbraw/zinc/39/27/49/817392749.db2.gz ZJUFLSKHIMGTJQ-UHFFFAOYSA-N 0 0 395.440 4.467 50 5 GIBARN Cc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3Cl)sc2c1 ZINC000002699370 817398208 /nfs/dbraw/zinc/39/82/08/817398208.db2.gz WWGNHQPDUMIJDI-UHFFFAOYSA-N 0 0 392.780 4.327 50 5 GIBARN O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(Br)cc1 ZINC000002860656 817403176 /nfs/dbraw/zinc/40/31/76/817403176.db2.gz QJCKLTOZTXYSKM-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN C/C=C/c1ccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c(OC)c1 ZINC000002985239 817410075 /nfs/dbraw/zinc/41/00/75/817410075.db2.gz SXHYXJCWEAOSEK-SNAWJCMRSA-N 0 0 387.432 4.419 50 5 GIBARN CCCCOc1ccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)cc1 ZINC000002990991 817410164 /nfs/dbraw/zinc/41/01/64/817410164.db2.gz VOEGPROOMKBYAG-UHFFFAOYSA-N 0 0 391.424 4.040 50 5 GIBARN C[C@H]1CCCN(C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])c2)C1 ZINC000003019641 817411541 /nfs/dbraw/zinc/41/15/41/817411541.db2.gz LZVAZGCUOFPEGX-ZDUSSCGKSA-N 0 0 385.376 4.167 50 5 GIBARN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccccc1Cl ZINC000003158530 817418856 /nfs/dbraw/zinc/41/88/56/817418856.db2.gz GTJJYSBCJMPWHO-UHFFFAOYSA-N 0 0 397.730 4.110 50 5 GIBARN C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003245460 817427056 /nfs/dbraw/zinc/42/70/56/817427056.db2.gz UVZCKYSONPWEST-NFOMZHRRSA-N 0 0 376.453 4.318 50 5 GIBARN CCc1cccc(CC)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003302052 817433532 /nfs/dbraw/zinc/43/35/32/817433532.db2.gz XXGAOQPJEQQCEZ-UHFFFAOYSA-N 0 0 390.823 4.169 50 5 GIBARN O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cc(Cl)cc(Cl)c1 ZINC000003329511 817437595 /nfs/dbraw/zinc/43/75/95/817437595.db2.gz REVMSRUOYBPTLU-UHFFFAOYSA-N 0 0 384.171 4.125 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1 ZINC000003347900 817440487 /nfs/dbraw/zinc/44/04/87/817440487.db2.gz QFUWBCYYGDNTJF-UHFFFAOYSA-N 0 0 382.247 4.281 50 5 GIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Oc2ccccc2)cc1 ZINC000003383980 817445360 /nfs/dbraw/zinc/44/53/60/817445360.db2.gz NJHVZOWNAJNGAD-UHFFFAOYSA-N 0 0 392.367 4.183 50 5 GIBARN Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000003434671 817454811 /nfs/dbraw/zinc/45/48/11/817454811.db2.gz MSTHTXNLTYSBTG-UHFFFAOYSA-N 0 0 385.351 4.170 50 5 GIBARN COc1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1OC ZINC000003512659 817475018 /nfs/dbraw/zinc/47/50/18/817475018.db2.gz UUHGWNJQBVZCFS-UHFFFAOYSA-N 0 0 390.391 4.320 50 5 GIBARN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000004002795 817496492 /nfs/dbraw/zinc/49/64/92/817496492.db2.gz DQUZZHMRKYYMRI-UHFFFAOYSA-N 0 0 376.294 4.052 50 5 GIBARN Cc1ccc(OCCCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004041778 817498968 /nfs/dbraw/zinc/49/89/68/817498968.db2.gz UGBFDORBAJVMKA-UHFFFAOYSA-N 0 0 393.237 4.463 50 5 GIBARN O=C(N1CCN=C1SCc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000004120641 817505860 /nfs/dbraw/zinc/50/58/60/817505860.db2.gz ICKKEFTXAXRMSB-UHFFFAOYSA-N 0 0 399.516 4.243 50 5 GIBARN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 ZINC000004122629 817505888 /nfs/dbraw/zinc/50/58/88/817505888.db2.gz JPNLYNAHVXKCPA-UHFFFAOYSA-N 0 0 396.447 4.042 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2cccc([N+](=O)[O-])c2C)CSC3)cc1 ZINC000004176133 817508725 /nfs/dbraw/zinc/50/87/25/817508725.db2.gz VPUBMRDXWLUTDF-UHFFFAOYSA-N 0 0 394.456 4.396 50 5 GIBARN O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004275966 817516212 /nfs/dbraw/zinc/51/62/12/817516212.db2.gz ASYWWDZXXYPXJT-UHFFFAOYSA-N 0 0 384.348 4.251 50 5 GIBARN Cc1c(O)ccc2c(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)cc(=O)oc12 ZINC000057553646 823309526 /nfs/dbraw/zinc/30/95/26/823309526.db2.gz UPKRVPRYNWIAQR-UHFFFAOYSA-N 0 0 388.807 4.001 50 5 GIBARN O=C(Nc1cccc(F)c1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020177437 818616831 /nfs/dbraw/zinc/61/68/31/818616831.db2.gz TYEIDUJTCUVNEE-UHFFFAOYSA-N 0 0 384.411 4.108 50 5 GIBARN CC(=O)N1N=C(c2ccc(Cl)cc2Cl)O[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000021091506 818652168 /nfs/dbraw/zinc/65/21/68/818652168.db2.gz NXNSAKZNPMCYKM-MRXNPFEDSA-N 0 0 380.187 4.141 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)O[C@H]1c1cccc(Cl)c1Cl ZINC000021091344 818652245 /nfs/dbraw/zinc/65/22/45/818652245.db2.gz WPFZHFDDRCZWKH-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN O=[N+]([O-])c1cc(CNc2ccccc2N2CCCCCC2)c2c(c1)COCO2 ZINC000029934595 820550815 /nfs/dbraw/zinc/55/08/15/820550815.db2.gz MKBNJODABAUIOB-UHFFFAOYSA-N 0 0 383.448 4.454 50 5 GIBARN CC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2cnc(-c3ccccc3)cc12 ZINC000032107236 820898610 /nfs/dbraw/zinc/89/86/10/820898610.db2.gz VQZOEPILRLUXJA-UHFFFAOYSA-N 0 0 385.379 4.343 50 5 GIBARN O=C(/C=C\c1ccccc1[N+](=O)[O-])OCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000033504586 821057035 /nfs/dbraw/zinc/05/70/35/821057035.db2.gz PQPITBOVPVLDIR-YFHOEESVSA-N 0 0 385.763 4.055 50 5 GIBARN O=C(NCc1ccccc1)/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 ZINC000035419820 821065238 /nfs/dbraw/zinc/06/52/38/821065238.db2.gz IIXUCXXTLDBKAM-RGEXLXHISA-N 0 0 398.422 4.328 50 5 GIBARN Cc1cc(C)c(C(=O)CCCC(=O)NCCNc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000040150386 821150305 /nfs/dbraw/zinc/15/03/05/821150305.db2.gz UYEJFEJFODZHJF-UHFFFAOYSA-N 0 0 397.475 4.101 50 5 GIBARN COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000048522816 822669636 /nfs/dbraw/zinc/66/96/36/822669636.db2.gz KUMQDTYHLWDTQP-UHFFFAOYSA-N 0 0 393.355 4.431 50 5 GIBARN COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] ZINC000001164673 230821620 /nfs/dbraw/zinc/82/16/20/230821620.db2.gz UAFZSNSWTDPOKQ-UHFFFAOYSA-N 0 0 390.355 4.059 50 5 GIBARN Cc1ccc(Cl)cc1NC=C1N=C(C=Cc2cccc([N+](=O)[O-])c2)OC1=O ZINC000001510478 212249278 /nfs/dbraw/zinc/24/92/78/212249278.db2.gz XMBUQBBADCUZRK-BRHQFWLOSA-N 0 0 383.791 4.479 50 5 GIBARN CC[C@H](C)c1ccc(N2C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000001148684 212222708 /nfs/dbraw/zinc/22/27/08/212222708.db2.gz QJNRWXHQZWADIY-GOEBONIOSA-N 0 0 381.432 4.100 50 5 GIBARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001148607 212222830 /nfs/dbraw/zinc/22/28/30/212222830.db2.gz UPVLOASJAIAISW-KRWDZBQOSA-N 0 0 388.221 4.055 50 5 GIBARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001088516 212217015 /nfs/dbraw/zinc/21/70/15/212217015.db2.gz NHPKZSAZSMTBHK-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN CCn1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000001073307 212214485 /nfs/dbraw/zinc/21/44/85/212214485.db2.gz UKKCYRLAKZRNBU-UHFFFAOYSA-N 0 0 388.836 4.490 50 5 GIBARN CC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1c(F)cccc1Cl)C(C)=O ZINC000001048849 212210120 /nfs/dbraw/zinc/21/01/20/212210120.db2.gz ZZRKEHAFLNQXFK-UHFFFAOYSA-N 0 0 377.799 4.337 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000000993949 212202643 /nfs/dbraw/zinc/20/26/43/212202643.db2.gz GTUITAFPQKUNEL-LLVKDONJSA-N 0 0 388.445 4.210 50 5 GIBARN COc1ccc(C(=O)Nc2cc3c(ccc4ccccc43)oc2=O)cc1OC ZINC000000978576 212201043 /nfs/dbraw/zinc/20/10/43/212201043.db2.gz HTCZVZFQJYQJHJ-UHFFFAOYSA-N 0 0 375.380 4.216 50 5 GIBARN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc(Cl)cc1 ZINC000000863284 212190188 /nfs/dbraw/zinc/19/01/88/212190188.db2.gz SNKIGWSPCSBJAY-UHFFFAOYSA-N 0 0 390.808 4.029 50 5 GIBARN O=C(N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000000837017 212187199 /nfs/dbraw/zinc/18/71/99/212187199.db2.gz VTDXLPAXQZYBJS-CQSZACIVSA-N 0 0 389.622 4.100 50 5 GIBARN COc1ccc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc1OC ZINC000253411441 212136478 /nfs/dbraw/zinc/13/64/78/212136478.db2.gz OPJVFWHZBKAFRD-UHFFFAOYSA-N 0 0 375.384 4.258 50 5 GIBARN O=C(CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Nc1cccc([N+](=O)[O-])c1 ZINC000004542643 212080042 /nfs/dbraw/zinc/08/00/42/212080042.db2.gz OYEHVLFDUJNDTO-UHFFFAOYSA-N 0 0 381.344 4.334 50 5 GIBARN CCC(=O)Nc1nc(-c2ccc(SC)cc2)nc2c3ccccc3oc(=O)c12 ZINC000001440032 220497566 /nfs/dbraw/zinc/49/75/66/220497566.db2.gz RFQYBMNBIQPQAB-UHFFFAOYSA-N 0 0 391.452 4.474 50 5 GIBARN CCCn1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)ccc2C)c1=O ZINC000002423626 220534145 /nfs/dbraw/zinc/53/41/45/220534145.db2.gz QOXYTBPTCPQONE-UHFFFAOYSA-N 0 0 383.455 4.310 50 5 GIBARN O=[N+]([O-])c1ccc(Sc2nnc(Cc3ccccc3)n2-c2ccccc2)nc1 ZINC000002484096 220539180 /nfs/dbraw/zinc/53/91/80/220539180.db2.gz GTCMNFIOIIKYCC-UHFFFAOYSA-N 0 0 389.440 4.313 50 5 GIBARN O=C(Oc1ccc2c(c1Br)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000002849019 220572661 /nfs/dbraw/zinc/57/26/61/220572661.db2.gz IYGNIOJRDRPWME-UHFFFAOYSA-N 0 0 376.206 4.455 50 5 GIBARN Cc1ccc(S(=O)(=O)Oc2ccc3c4ccccc4c(=O)oc3c2C)cc1 ZINC000002995552 220594444 /nfs/dbraw/zinc/59/44/44/220594444.db2.gz FGYZRMQHEQKMEQ-UHFFFAOYSA-N 0 0 380.421 4.331 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2nc3ccccc3c(NC[C@H]3CCCO3)n2)cc1 ZINC000002948693 220586777 /nfs/dbraw/zinc/58/67/77/220586777.db2.gz JBGKAXHIANDMHA-MRXNPFEDSA-N 0 0 396.472 4.421 50 5 GIBARN Cc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3Cl)cc2s1 ZINC000003223854 220611777 /nfs/dbraw/zinc/61/17/77/220611777.db2.gz VQTWWXBODSJCPH-UHFFFAOYSA-N 0 0 392.780 4.327 50 5 GIBARN CCc1cccc2c(C(=O)COC(=O)CSc3ccc([N+](=O)[O-])cc3)c[nH]c21 ZINC000004219360 220694728 /nfs/dbraw/zinc/69/47/28/220694728.db2.gz WYPDROWAYNWOGP-UHFFFAOYSA-N 0 0 398.440 4.157 50 5 GIBARN O=[N+]([O-])c1ccc(CSc2ncnc3c2nnn3-c2cccc(Cl)c2)cc1 ZINC000004273921 220699365 /nfs/dbraw/zinc/69/93/65/220699365.db2.gz UIEZCOLZFWNOSS-UHFFFAOYSA-N 0 0 398.835 4.064 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2[N+](=O)[O-])CSC3)cc1 ZINC000004175978 220689838 /nfs/dbraw/zinc/68/98/38/220689838.db2.gz XARITYUBKDKWQI-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1C ZINC000004663124 220742977 /nfs/dbraw/zinc/74/29/77/220742977.db2.gz YSIPHHYZIDMWMN-UHFFFAOYSA-N 0 0 395.440 4.192 50 5 GIBARN Cc1c(C(=O)N2CCCC[C@H]2C)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 ZINC000004931048 220794541 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GIBARN C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000007757957 221009939 /nfs/dbraw/zinc/00/99/39/221009939.db2.gz XQAMHDPUILCYIY-CQSZACIVSA-N 0 0 387.411 4.130 50 5 GIBARN COCCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000007843555 221014619 /nfs/dbraw/zinc/01/46/19/221014619.db2.gz MNQVAXYHAYEPEI-UHFFFAOYSA-N 0 0 398.444 4.029 50 5 GIBARN O=[N+]([O-])c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 ZINC000008054367 221024642 /nfs/dbraw/zinc/02/46/42/221024642.db2.gz LPIMVQRYQZBQCG-UHFFFAOYSA-N 0 0 384.417 4.497 50 5 GIBARN COc1cc(NC(=O)COc2cc(Cl)ccc2Cl)c(C)cc1[N+](=O)[O-] ZINC000008131192 221027515 /nfs/dbraw/zinc/02/75/15/221027515.db2.gz RTZHXTBONZFFAD-UHFFFAOYSA-N 0 0 385.203 4.236 50 5 GIBARN O=[N+]([O-])c1ccc(OS(=O)(=O)c2cc(F)cc(F)c2)c(-c2cccs2)c1 ZINC000010517984 221103981 /nfs/dbraw/zinc/10/39/81/221103981.db2.gz KNXPVWNOFWIHBV-UHFFFAOYSA-N 0 0 397.380 4.369 50 5 GIBARN COc1cc(C(=O)Nc2cccc3c2CCCC3)c([N+](=O)[O-])cc1OC(F)F ZINC000010958341 221109190 /nfs/dbraw/zinc/10/91/90/221109190.db2.gz SLVKDSLFYZQJNO-UHFFFAOYSA-N 0 0 392.358 4.336 50 5 GIBARN O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)c1c[nH]c2ccccc21 ZINC000010084310 221097152 /nfs/dbraw/zinc/09/71/52/221097152.db2.gz GBDPBILIMVVHLO-SOFGYWHQSA-N 0 0 384.775 4.169 50 5 GIBARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000011227498 221112779 /nfs/dbraw/zinc/11/27/79/221112779.db2.gz SFZMMAMEXWIXAJ-UHFFFAOYSA-N 0 0 391.387 4.433 50 5 GIBARN COc1ccc(F)cc1C(=O)COC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000011265965 221113552 /nfs/dbraw/zinc/11/35/52/221113552.db2.gz DVSUORJTVGBRGW-UHFFFAOYSA-N 0 0 389.379 4.080 50 5 GIBARN O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000012508083 221199670 /nfs/dbraw/zinc/19/96/70/221199670.db2.gz DQLCUZBMVHHANB-FQEVSTJZSA-N 0 0 386.411 4.185 50 5 GIBARN O=C(COc1cccnc1[N+](=O)[O-])Nc1cc(Cl)ccc1Oc1ccccc1 ZINC000012533224 221202466 /nfs/dbraw/zinc/20/24/66/221202466.db2.gz VVBFUAQEYCCMJN-UHFFFAOYSA-N 0 0 399.790 4.453 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1ncn(-c2ccccc2)c1=S ZINC000012553198 221205820 /nfs/dbraw/zinc/20/58/20/221205820.db2.gz OIOLPBIVYNDJGG-UHFFFAOYSA-N 0 0 389.868 4.054 50 5 GIBARN Cc1nc2sc3c(c2c2nc4nc5ccccc5c-4nn12)CC(C)(C)OC3 ZINC000012409329 221190218 /nfs/dbraw/zinc/19/02/18/221190218.db2.gz CXVZZGGQEOMKHI-UHFFFAOYSA-N 0 0 375.457 4.152 50 5 GIBARN COCCn1c(Cc2ccccc2)nnc1S[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000012686495 221218219 /nfs/dbraw/zinc/21/82/19/221218219.db2.gz JOKXPDUAEGQNAX-OAHLLOKOSA-N 0 0 398.488 4.277 50 5 GIBARN Cc1c(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cccc1[N+](=O)[O-] ZINC000012976841 221250952 /nfs/dbraw/zinc/25/09/52/221250952.db2.gz BNXIJODNNCTSSU-UHFFFAOYSA-N 0 0 391.830 4.299 50 5 GIBARN Cc1cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c(C)n1CCc1ccccc1 ZINC000013162777 221263396 /nfs/dbraw/zinc/26/33/96/221263396.db2.gz QURFGFNRCBZVLM-UHFFFAOYSA-N 0 0 393.443 4.221 50 5 GIBARN O=C1OC(c2cccc(Br)c2)=N/C1=C\C=C\c1ccc([N+](=O)[O-])cc1 ZINC000013590463 221276003 /nfs/dbraw/zinc/27/60/03/221276003.db2.gz PQQCOSOTGNZTGL-PPFNYLEDSA-N 0 0 399.200 4.258 50 5 GIBARN Cc1ccsc1[C@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015866772 221350095 /nfs/dbraw/zinc/35/00/95/221350095.db2.gz PCAILHMYSKFTSB-MRXNPFEDSA-N 0 0 380.491 4.271 50 5 GIBARN CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2s1 ZINC000017078428 221377864 /nfs/dbraw/zinc/37/78/64/221377864.db2.gz CBJNEFHKGGLHQH-UHFFFAOYSA-N 0 0 384.417 4.195 50 5 GIBARN O=C(Nc1c(-c2ccc(F)cc2)nc2sccn21)c1cccc([N+](=O)[O-])c1 ZINC000018705601 221392262 /nfs/dbraw/zinc/39/22/62/221392262.db2.gz BRWITJBVFWGEEK-UHFFFAOYSA-N 0 0 382.376 4.362 50 5 GIBARN Cc1ccc(-n2c(=O)c3ccc[nH]c-3c2Nc2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000021107961 221526527 /nfs/dbraw/zinc/52/65/27/221526527.db2.gz IEZAKXWNRRGQJE-LJQANCHMSA-N 0 0 378.363 4.208 50 5 GIBARN Cc1cc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])cc1F ZINC000063121420 136156419 /nfs/dbraw/zinc/15/64/19/136156419.db2.gz DLHWTWPKUOALEL-UHFFFAOYSA-N 0 0 392.818 4.050 50 5 GIBARN CCOC(=O)c1ccnc(N2CC[C@@H](C)C[C@@H]2c2ccc(CC)o2)c1[N+](=O)[O-] ZINC000089286667 136175516 /nfs/dbraw/zinc/17/55/16/136175516.db2.gz JKPMMQUZBUDIOZ-CZUORRHYSA-N 0 0 387.436 4.300 50 5 GIBARN Cc1ccc(OCCOC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000005934438 136195156 /nfs/dbraw/zinc/19/51/56/136195156.db2.gz LADDUQRLARSVDR-KRWDZBQOSA-N 0 0 398.459 4.375 50 5 GIBARN O=C(NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000023306355 221590683 /nfs/dbraw/zinc/59/06/83/221590683.db2.gz KGUFOVFFBXRWIE-FQEVSTJZSA-N 0 0 390.395 4.121 50 5 GIBARN Cc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000064984032 222092665 /nfs/dbraw/zinc/09/26/65/222092665.db2.gz FBTUVTYURQLBLE-MRXNPFEDSA-N 0 0 380.491 4.271 50 5 GIBARN CCCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000058158106 222041403 /nfs/dbraw/zinc/04/14/03/222041403.db2.gz QXQSFYHQYNCJIA-ZDUSSCGKSA-N 0 0 389.839 4.128 50 5 GIBARN COCCCCN1C(=O)[C@H](Sc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000058210300 222045450 /nfs/dbraw/zinc/04/54/50/222045450.db2.gz XINBQWSASDINCH-RBUKOAKNSA-N 0 0 386.473 4.066 50 5 GIBARN O=[N+]([O-])c1ccc(OCc2csc(-c3ncccn3)n2)c(C(F)(F)F)c1 ZINC000058426717 222052830 /nfs/dbraw/zinc/05/28/30/222052830.db2.gz QLUJENPTUXQTQE-UHFFFAOYSA-N 0 0 382.323 4.106 50 5 GIBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1cccc(CN2CCOCC2)c1 ZINC000058417827 222052857 /nfs/dbraw/zinc/05/28/57/222052857.db2.gz RDZYXYSFSKSUKO-UHFFFAOYSA-N 0 0 381.354 4.189 50 5 GIBARN Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000065518641 222133421 /nfs/dbraw/zinc/13/34/21/222133421.db2.gz MTHVZZLJBDPBIT-UHFFFAOYSA-N 0 0 395.362 4.462 50 5 GIBARN CNC(=O)c1ccc(N2CCC[C@@H]2c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000083882267 222313324 /nfs/dbraw/zinc/31/33/24/222313324.db2.gz HKVRFONKUAFHSG-LJQANCHMSA-N 0 0 375.428 4.449 50 5 GIBARN Cc1csc(C2(NCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)CCCC2)n1 ZINC000095962972 222364885 /nfs/dbraw/zinc/36/48/85/222364885.db2.gz XLBSSRAWEVSMDM-UHFFFAOYSA-N 0 0 394.884 4.011 50 5 GIBARN COc1cccc(-n2cc(OC(C)=O)c3c4nc5ccccc5n4c(C)nc32)c1 ZINC000101148274 222468367 /nfs/dbraw/zinc/46/83/67/222468367.db2.gz HVUIGVNFPCTXRY-UHFFFAOYSA-N 0 0 386.411 4.069 50 5 GIBARN Cc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000102703933 222483326 /nfs/dbraw/zinc/48/33/26/222483326.db2.gz FQUBQBORJYROIZ-DJJJIMSYSA-N 0 0 391.387 4.153 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1)NC1(c2ccc(Br)cc2)CC1 ZINC000048324553 570235874 /nfs/dbraw/zinc/23/58/74/570235874.db2.gz DVFHJPDBQATYTE-UHFFFAOYSA-N 0 0 376.210 4.168 50 5 GIBARN O=C(O[C@@H]1C=C[C@@]23C=CC=C[C@]12CCCC3)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000104296030 570272576 /nfs/dbraw/zinc/27/25/76/570272576.db2.gz GICOYOXIYCQZAO-HOJAQTOUSA-N 0 0 382.372 4.271 50 5 GIBARN C[C@@H](Oc1cc(F)ccc1[N+](=O)[O-])C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004975838 570387301 /nfs/dbraw/zinc/38/73/01/570387301.db2.gz KLFHANFUVNSWGD-LLVKDONJSA-N 0 0 387.392 4.263 50 5 GIBARN COc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c([N+](=O)[O-])c1 ZINC000005034503 570403270 /nfs/dbraw/zinc/40/32/70/570403270.db2.gz VFOOZQWRHCPOGO-UHFFFAOYSA-N 0 0 383.316 4.024 50 5 GIBARN CCOc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000005061505 570409026 /nfs/dbraw/zinc/40/90/26/570409026.db2.gz CDTYBAIRYIEVLU-UHFFFAOYSA-N 0 0 390.395 4.477 50 5 GIBARN CC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc(Br)cc1 ZINC000005063855 570409098 /nfs/dbraw/zinc/40/90/98/570409098.db2.gz KKEQKRUXKIVNBG-QGZVFWFLSA-N 0 0 388.221 4.055 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000005078252 570413189 /nfs/dbraw/zinc/41/31/89/570413189.db2.gz SWJZQIOBJVSJCZ-UHFFFAOYSA-N 0 0 386.351 4.353 50 5 GIBARN Cc1csc(Sc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2[N+](=O)[O-])n1 ZINC000005105198 570417950 /nfs/dbraw/zinc/41/79/50/570417950.db2.gz OWQWRHGQCKQITJ-UHFFFAOYSA-N 0 0 394.474 4.283 50 5 GIBARN COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000006455951 570425417 /nfs/dbraw/zinc/42/54/17/570425417.db2.gz YOLJPTUUAJKPTK-UHFFFAOYSA-N 0 0 395.371 4.009 50 5 GIBARN CCOc1cc2c(cc1NC(=O)c1cc(SC)ccc1[N+](=O)[O-])O[C@@H](C)C2 ZINC000026887552 570450066 /nfs/dbraw/zinc/45/00/66/570450066.db2.gz RZDRSBMYGJJFKO-NSHDSACASA-N 0 0 388.445 4.291 50 5 GIBARN Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000006581303 570483201 /nfs/dbraw/zinc/48/32/01/570483201.db2.gz MNMYNMHFKDZCOZ-UHFFFAOYSA-N 0 0 383.429 4.353 50 5 GIBARN Cc1cc(C)n(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n1 ZINC000006653077 570518459 /nfs/dbraw/zinc/51/84/59/570518459.db2.gz MSPKRSOULJVDCY-UHFFFAOYSA-N 0 0 378.432 4.141 50 5 GIBARN C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCc2ccccc21 ZINC000006740906 570563102 /nfs/dbraw/zinc/56/31/02/570563102.db2.gz AFULMRIWTNFAAQ-NSHDSACASA-N 0 0 379.338 4.003 50 5 GIBARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000006783749 570590468 /nfs/dbraw/zinc/59/04/68/570590468.db2.gz HRRBGXHUCMJRFH-GOSISDBHSA-N 0 0 390.395 4.301 50 5 GIBARN O=C(COc1cccc(Br)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000005447314 570596372 /nfs/dbraw/zinc/59/63/72/570596372.db2.gz LAQHTXOXSWXXLA-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN CCCCOc1ccc(C2=NC(=CNc3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004590623 570621749 /nfs/dbraw/zinc/62/17/49/570621749.db2.gz YSFVJWVAPHAXRH-AQTBWJFISA-N 0 0 381.388 4.031 50 5 GIBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccccc1Cl ZINC000004601696 570647510 /nfs/dbraw/zinc/64/75/10/570647510.db2.gz JVCRIHAWKFXDJO-UHFFFAOYSA-N 0 0 384.244 4.337 50 5 GIBARN C[C@@H](OC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000006931770 570710444 /nfs/dbraw/zinc/71/04/44/570710444.db2.gz WIKIVLKNHMKPCG-BUBBNXEVSA-N 0 0 386.448 4.072 50 5 GIBARN COc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000007035453 570756856 /nfs/dbraw/zinc/75/68/56/570756856.db2.gz UXGYFHGRRNOYFC-LBPRGKRZSA-N 0 0 399.428 4.133 50 5 GIBARN Cc1ccc(-n2nc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000001154957 570757747 /nfs/dbraw/zinc/75/77/47/570757747.db2.gz BVBVGNZIFWIPFZ-UHFFFAOYSA-N 0 0 387.399 4.198 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1cccc(O)c1 ZINC000004438112 570768978 /nfs/dbraw/zinc/76/89/78/570768978.db2.gz MDKFYECLIONYML-JLHYYAGUSA-N 0 0 385.379 4.170 50 5 GIBARN Cc1cccc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCCC3)nc21 ZINC000005864010 570798326 /nfs/dbraw/zinc/79/83/26/570798326.db2.gz IPXHLPMMHLHKDP-UHFFFAOYSA-N 0 0 382.445 4.365 50 5 GIBARN COc1cc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2cc1OC ZINC000004479920 570802623 /nfs/dbraw/zinc/80/26/23/570802623.db2.gz VCQNGPYRDFSINM-UHFFFAOYSA-N 0 0 393.808 4.127 50 5 GIBARN CN(C(=O)c1cc(C(=O)N(C)c2ccccc2)cc([N+](=O)[O-])c1)c1ccccc1 ZINC000005913505 570803079 /nfs/dbraw/zinc/80/30/79/570803079.db2.gz PPMZTGKRXCZIRO-UHFFFAOYSA-N 0 0 389.411 4.148 50 5 GIBARN Cc1csc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000007141003 570804000 /nfs/dbraw/zinc/80/40/00/570804000.db2.gz WAXBNXGCWUCXFW-UHFFFAOYSA-N 0 0 377.369 4.109 50 5 GIBARN COc1ccc2nc3c(c(NC(=O)c4ccc([N+](=O)[O-])cc4)c2c1)CCCC3 ZINC000005930548 570804122 /nfs/dbraw/zinc/80/41/22/570804122.db2.gz NNBLLQSLIZADJU-UHFFFAOYSA-N 0 0 377.400 4.283 50 5 GIBARN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000004499159 570808812 /nfs/dbraw/zinc/80/88/12/570808812.db2.gz KLQQGXRWMWOGDK-UHFFFAOYSA-N 0 0 398.221 4.003 50 5 GIBARN CCn1c2ccccc2c2cc(NC(=O)COc3cccnc3[N+](=O)[O-])ccc21 ZINC000005971486 570810618 /nfs/dbraw/zinc/81/06/18/570810618.db2.gz LMGMCKIKNIOWCB-UHFFFAOYSA-N 0 0 390.399 4.135 50 5 GIBARN COc1cc([N+](=O)[O-])cc2sc(NC(=O)CSc3ccc(C)cc3)nc21 ZINC000004496438 570816731 /nfs/dbraw/zinc/81/67/31/570816731.db2.gz HSLOEYLTCPFURX-UHFFFAOYSA-N 0 0 389.458 4.252 50 5 GIBARN CC(C)CNC(=O)C[C@H](c1cn(C)c2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000101856533 570834881 /nfs/dbraw/zinc/83/48/81/570834881.db2.gz CIGIXZUPNMBOPR-IBGZPJMESA-N 0 0 379.460 4.381 50 5 GIBARN COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004695573 570836793 /nfs/dbraw/zinc/83/67/93/570836793.db2.gz APUOBCDAADUCSU-UHFFFAOYSA-N 0 0 385.601 4.272 50 5 GIBARN Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003238953 570840418 /nfs/dbraw/zinc/84/04/18/570840418.db2.gz KVGYXRHHOWUMQN-UHFFFAOYSA-N 0 0 383.187 4.006 50 5 GIBARN Cc1cc2c(c(=S)[nH]1)C(=O)OC2=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004535783 570847209 /nfs/dbraw/zinc/84/72/09/570847209.db2.gz FOJYXEIBEVYUDU-JDZKTDJGSA-N 0 0 380.381 4.097 50 5 GIBARN Cc1ccc(Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102784729 570863464 /nfs/dbraw/zinc/86/34/64/570863464.db2.gz MHANJLBEWVGHCU-IAGOWNOFSA-N 0 0 377.400 4.102 50 5 GIBARN CCC(=O)N(C(=O)c1ccccc1F)c1ccc([N+](=O)[O-])cc1Br ZINC000005710636 570864917 /nfs/dbraw/zinc/86/49/17/570864917.db2.gz QIVJFDMSKQAEQA-UHFFFAOYSA-N 0 0 395.184 4.080 50 5 GIBARN C[C@H](Nc1ncccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170616194 570873859 /nfs/dbraw/zinc/87/38/59/570873859.db2.gz NAYVNFXLZINFQX-JTQLQIEISA-N 0 0 388.225 4.316 50 5 GIBARN CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103591686 570887790 /nfs/dbraw/zinc/88/77/90/570887790.db2.gz WXLJLUCZPBKHFP-SFHVURJKSA-N 0 0 390.395 4.301 50 5 GIBARN Cc1ccc(-c2ccc(SCC(=O)Nc3ccccc3[N+](=O)[O-])nn2)cc1 ZINC000005410593 570899543 /nfs/dbraw/zinc/89/95/43/570899543.db2.gz QKKGZXLQKYUBDG-UHFFFAOYSA-N 0 0 380.429 4.091 50 5 GIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 ZINC000004577023 570903843 /nfs/dbraw/zinc/90/38/43/570903843.db2.gz ASPLMPZYZVDJNL-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004078845 570931232 /nfs/dbraw/zinc/93/12/32/570931232.db2.gz NHPLCACREKRGEB-NYYWCZLTSA-N 0 0 381.413 4.379 50 5 GIBARN CC(C)(C)C1CCC(OC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000004133030 570961321 /nfs/dbraw/zinc/96/13/21/570961321.db2.gz IWCHXGFIGVYVPC-UHFFFAOYSA-N 0 0 376.453 4.462 50 5 GIBARN Cc1ccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000004754518 570963776 /nfs/dbraw/zinc/96/37/76/570963776.db2.gz MZRCEFRBZUMEDG-SOFGYWHQSA-N 0 0 375.837 4.083 50 5 GIBARN O=C(c1c[nH]c2ccc(Br)cc12)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000004772569 570977933 /nfs/dbraw/zinc/97/79/33/570977933.db2.gz ULSLMYYUNIRYGS-UHFFFAOYSA-N 0 0 386.205 4.042 50 5 GIBARN Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000025851748 570978481 /nfs/dbraw/zinc/97/84/81/570978481.db2.gz GPARWXNDVYONCH-UHFFFAOYSA-N 0 0 391.431 4.140 50 5 GIBARN CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2c1ncc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000004791772 570992611 /nfs/dbraw/zinc/99/26/11/570992611.db2.gz RAKYOWHHECUVPA-AUUYWEPGSA-N 0 0 388.445 4.077 50 5 GIBARN O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1ccc(O)cc1 ZINC000004805954 570996262 /nfs/dbraw/zinc/99/62/62/570996262.db2.gz NGEJFFDPWPKSDW-AUWJEWJLSA-N 0 0 385.379 4.170 50 5 GIBARN COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1[N+](=O)[O-] ZINC000002200495 570998931 /nfs/dbraw/zinc/99/89/31/570998931.db2.gz SMVJBUPVWLMWGD-MLPAPPSSSA-N 0 0 393.182 4.255 50 5 GIBARN O=C(Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1)NCc1ccco1 ZINC000037554853 571030931 /nfs/dbraw/zinc/03/09/31/571030931.db2.gz DSCKPKOSQLACGM-UHFFFAOYSA-N 0 0 399.834 4.312 50 5 GIBARN Cc1ccc(NC(=O)C2C[C@H]3CC[C@@H](C2)C32SCCS2)cc1[N+](=O)[O-] ZINC000012781468 571035101 /nfs/dbraw/zinc/03/51/01/571035101.db2.gz SOMCGVLKMBPUMI-AGUYFDCRSA-N 0 0 378.519 4.454 50 5 GIBARN O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)Nc1ccc(Cl)cc1 ZINC000001203012 817375267 /nfs/dbraw/zinc/37/52/67/817375267.db2.gz XMGQQXJXWYZQDA-UHFFFAOYSA-N 0 0 375.797 4.411 50 5 GIBARN Cc1nc2c(c3nc4ccccc4nc3n2CCC(C)C)c(=O)n1CC(C)C ZINC000002245125 817380747 /nfs/dbraw/zinc/38/07/47/817380747.db2.gz NBXBFZUMGLGIPT-UHFFFAOYSA-N 0 0 377.492 4.305 50 5 GIBARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1 ZINC000002699354 817397989 /nfs/dbraw/zinc/39/79/89/817397989.db2.gz IJBWIOOCLPCRRA-UHFFFAOYSA-N 0 0 398.400 4.496 50 5 GIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 ZINC000002736928 817398764 /nfs/dbraw/zinc/39/87/64/817398764.db2.gz KJACKDVNYFILQV-UHFFFAOYSA-N 0 0 388.445 4.354 50 5 GIBARN O=C(OCCCc1nc2cc3ccccc3cc2[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000002801993 817401909 /nfs/dbraw/zinc/40/19/09/817401909.db2.gz USUQPQICYALJMU-UHFFFAOYSA-N 0 0 375.384 4.414 50 5 GIBARN Cc1c(Cl)c(Br)ccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000002818810 817402582 /nfs/dbraw/zinc/40/25/82/817402582.db2.gz ZHMSRLBJWSZRRE-UHFFFAOYSA-N 0 0 395.596 4.120 50 5 GIBARN O=C1c2ccc(-c3nc4ccc([N+](=O)[O-])cc4o3)cc2C(=O)N1C1CCCCC1 ZINC000002875195 817404018 /nfs/dbraw/zinc/40/40/18/817404018.db2.gz MDGPLZWWJBTNTJ-UHFFFAOYSA-N 0 0 391.383 4.332 50 5 GIBARN COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002939563 817407397 /nfs/dbraw/zinc/40/73/97/817407397.db2.gz QZLUSKQMDIJWBZ-UHFFFAOYSA-N 0 0 391.383 4.108 50 5 GIBARN O=C(NCc1cccc(Cl)c1)c1cccn2c(=O)c3ccc(Cl)cc3nc12 ZINC000002957305 817408795 /nfs/dbraw/zinc/40/87/95/817408795.db2.gz JGEMPLLUKKNYBE-UHFFFAOYSA-N 0 0 398.249 4.085 50 5 GIBARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002962844 817408890 /nfs/dbraw/zinc/40/88/90/817408890.db2.gz JZJHVEKAGWMKGX-UHFFFAOYSA-N 0 0 380.385 4.420 50 5 GIBARN C[C@@]12C[C@@H](NC(=S)N1c1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1O2 ZINC000002963614 817409503 /nfs/dbraw/zinc/40/95/03/817409503.db2.gz FZKOPVIKHGXZEW-RHSMWYFYSA-N 0 0 375.837 4.183 50 5 GIBARN Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1[N+](=O)[O-] ZINC000003008136 817410687 /nfs/dbraw/zinc/41/06/87/817410687.db2.gz HPYZUERHNOKWEX-UHFFFAOYSA-N 0 0 398.419 4.227 50 5 GIBARN O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C(=O)N1c1ccc(Cl)cc1 ZINC000003158531 817418930 /nfs/dbraw/zinc/41/89/30/817418930.db2.gz GSTPJJGBINAVDE-UHFFFAOYSA-N 0 0 397.730 4.110 50 5 GIBARN O=c1cc(Cn2nnc(-c3ccc(Cl)cc3)n2)c2c(ccc3ccccc32)o1 ZINC000003410348 817450760 /nfs/dbraw/zinc/45/07/60/817450760.db2.gz OJHMEKZQSJMYFL-UHFFFAOYSA-N 0 0 388.814 4.301 50 5 GIBARN CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003510546 817474061 /nfs/dbraw/zinc/47/40/61/817474061.db2.gz AZJMJAXBLKKTFH-UHFFFAOYSA-N 0 0 377.780 4.207 50 5 GIBARN Cc1c(C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cccc1[N+](=O)[O-] ZINC000003615608 817492875 /nfs/dbraw/zinc/49/28/75/817492875.db2.gz WFVNSECROCEQMM-UHFFFAOYSA-N 0 0 379.343 4.493 50 5 GIBARN Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc12 ZINC000003648798 817493590 /nfs/dbraw/zinc/49/35/90/817493590.db2.gz DLHHEQVUBQYXOG-UHFFFAOYSA-N 0 0 380.404 4.287 50 5 GIBARN O=[N+]([O-])c1ccc(-c2ccc(Nc3ccc([N+](=O)[O-])c4nonc43)cc2)cc1 ZINC000003879020 817494872 /nfs/dbraw/zinc/49/48/72/817494872.db2.gz OQZGMYDXXNFPOD-UHFFFAOYSA-N 0 0 377.316 4.450 50 5 GIBARN Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc([N+](=O)[O-])c1)CSC2 ZINC000004175986 817507972 /nfs/dbraw/zinc/50/79/72/817507972.db2.gz UOTZHBHARDBPEH-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN CCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c(OC(C)=O)ccc2ccccc21 ZINC000006591588 817706901 /nfs/dbraw/zinc/70/69/01/817706901.db2.gz ZAAPIDOAJKMHRI-JOCHJYFZSA-N 0 0 392.411 4.289 50 5 GIBARN CN(Cc1cccc(Cl)c1Cl)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012901067 818192095 /nfs/dbraw/zinc/19/20/95/818192095.db2.gz WAUOBXSBOKGEOG-UHFFFAOYSA-N 0 0 383.231 4.400 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000020823213 818633243 /nfs/dbraw/zinc/63/32/43/818633243.db2.gz CWXXTCLUGJXOLT-UHFFFAOYSA-N 0 0 386.791 4.203 50 5 GIBARN O=[N+]([O-])c1cc(-c2nc(-c3cccnc3)no2)ccc1NCCc1ccccc1 ZINC000020897878 818638150 /nfs/dbraw/zinc/63/81/50/818638150.db2.gz WNOJPFBCFUMFDH-UHFFFAOYSA-N 0 0 387.399 4.361 50 5 GIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@@]1(C)c1ccc(Cl)c(Cl)c1 ZINC000021091450 818652210 /nfs/dbraw/zinc/65/22/10/818652210.db2.gz ZEYYBTPQHITERE-KRWDZBQOSA-N 0 0 394.214 4.315 50 5 GIBARN O=C1OCCN1Cc1cccc(Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000040153738 821151397 /nfs/dbraw/zinc/15/13/97/821151397.db2.gz ZFFFVEJWACDXJL-UHFFFAOYSA-N 0 0 381.310 4.309 50 5 GIBARN O=C(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000008567409 230865724 /nfs/dbraw/zinc/86/57/24/230865724.db2.gz GIZKEWLZDPBGEI-ZDUSSCGKSA-N 0 0 376.796 4.058 50 5 GIBARN O=C(CSc1nc2cc([N+](=O)[O-])ccc2o1)N[C@@H]1CCCc2ccccc21 ZINC000032777314 230917612 /nfs/dbraw/zinc/91/76/12/230917612.db2.gz VMDFSLDPFSKUTI-OAHLLOKOSA-N 0 0 383.429 4.022 50 5 GIBARN O=C(Nc1ccc(OC[C@@H](O)c2cccs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000027214404 230914791 /nfs/dbraw/zinc/91/47/91/230914791.db2.gz UTJJWJDHKFEGQO-QGZVFWFLSA-N 0 0 384.413 4.021 50 5 GIBARN Cc1ccc(NC(=O)OCCOc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000001753491 212256265 /nfs/dbraw/zinc/25/62/65/212256265.db2.gz GNVDKJQZWSCTDD-UHFFFAOYSA-N 0 0 395.209 4.293 50 5 GIBARN COc1ccc(C2=N/C(=C\c3ccc(C(C)(C)C)cc3)C(=O)O2)cc1[N+](=O)[O-] ZINC000001513579 212249169 /nfs/dbraw/zinc/24/91/69/212249169.db2.gz DIFPXJQKLXYZDQ-WJDWOHSUSA-N 0 0 380.400 4.245 50 5 GIBARN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000001313357 212235412 /nfs/dbraw/zinc/23/54/12/212235412.db2.gz MMZSUKBKQQGUTR-UHFFFAOYSA-N 0 0 379.338 4.466 50 5 GIBARN Cc1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000001216927 212230116 /nfs/dbraw/zinc/23/01/16/212230116.db2.gz KPUYVYFOIXRKIL-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN Cc1cccc(Cn2cc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)ccc2=O)c1 ZINC000010187886 212236657 /nfs/dbraw/zinc/23/66/57/212236657.db2.gz FDFFVUPQPTXMEN-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc(OCC)c1OCC ZINC000001189144 212227410 /nfs/dbraw/zinc/22/74/10/212227410.db2.gz YIZJNVYJYUGVSI-UHFFFAOYSA-N 0 0 392.383 4.182 50 5 GIBARN O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000001183930 212226979 /nfs/dbraw/zinc/22/69/79/212226979.db2.gz SQQNZCSRZKXHGN-UHFFFAOYSA-N 0 0 389.411 4.418 50 5 GIBARN COc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1[N+](=O)[O-] ZINC000001166444 212224793 /nfs/dbraw/zinc/22/47/93/212224793.db2.gz ZPXMYJZJXGJMLX-UHFFFAOYSA-N 0 0 390.355 4.059 50 5 GIBARN CC[C@H](C)c1ccc(N2C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)CC2=O)cc1 ZINC000001148680 212222877 /nfs/dbraw/zinc/22/28/77/212222877.db2.gz QJNRWXHQZWADIY-HOCLYGCPSA-N 0 0 381.432 4.100 50 5 GIBARN O=C(NC[C@H]1CCCO1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000001120906 212219952 /nfs/dbraw/zinc/21/99/52/212219952.db2.gz QXYQXYGIEYUIIA-GFCCVEGCSA-N 0 0 392.864 4.308 50 5 GIBARN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000001067374 212212287 /nfs/dbraw/zinc/21/22/87/212212287.db2.gz IZOSQZSZZGLKKI-UHFFFAOYSA-N 0 0 384.417 4.195 50 5 GIBARN Cc1c(C)c(C)c(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c(C)c1C ZINC000001024158 212205631 /nfs/dbraw/zinc/20/56/31/212205631.db2.gz MSJQRMZMPJHNPE-UHFFFAOYSA-N 0 0 398.459 4.465 50 5 GIBARN Cc1cc(C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)ccc1[N+](=O)[O-] ZINC000000959528 212200456 /nfs/dbraw/zinc/20/04/56/212200456.db2.gz ZSKWMQGFMLDNSL-UHFFFAOYSA-N 0 0 391.379 4.479 50 5 GIBARN COc1ccc(OCC(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000941365 212197285 /nfs/dbraw/zinc/19/72/85/212197285.db2.gz NDCXUJOBMIKDRQ-UHFFFAOYSA-N 0 0 392.411 4.216 50 5 GIBARN CSc1nc2ccc3nc(NC(=O)c4ccc([N+](=O)[O-])o4)sc3c2s1 ZINC000009404743 212195714 /nfs/dbraw/zinc/19/57/14/212195714.db2.gz QIWAGCLXVGAZPO-UHFFFAOYSA-N 0 0 392.443 4.381 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000825794 212185806 /nfs/dbraw/zinc/18/58/06/212185806.db2.gz YTBZGZALZHQIES-UHFFFAOYSA-N 0 0 376.412 4.203 50 5 GIBARN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1 ZINC000000853615 220461808 /nfs/dbraw/zinc/46/18/08/220461808.db2.gz KPJYGYYAQOMEIP-UHFFFAOYSA-N 0 0 375.793 4.273 50 5 GIBARN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000935461 220468392 /nfs/dbraw/zinc/46/83/92/220468392.db2.gz UEBKCKZFKAMZKA-SECBINFHSA-N 0 0 399.628 4.417 50 5 GIBARN CCCCN(CCCC)C(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000002367864 220527525 /nfs/dbraw/zinc/52/75/25/220527525.db2.gz DUJCDIVUGFZFLG-UHFFFAOYSA-N 0 0 392.481 4.166 50 5 GIBARN Cc1ccc(-n2nc3c(c2NC(=O)c2ccc([N+](=O)[O-])cc2)CSC3)cc1 ZINC000002483545 220539601 /nfs/dbraw/zinc/53/96/01/220539601.db2.gz PIBCQMFMRSHREL-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN CCCCc1cc(=O)oc2cc(OCC(=O)c3cccc([N+](=O)[O-])c3)ccc12 ZINC000002854497 220574489 /nfs/dbraw/zinc/57/44/89/220574489.db2.gz AAKFSYJWRUIZNG-UHFFFAOYSA-N 0 0 381.384 4.306 50 5 GIBARN CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000004040998 220674296 /nfs/dbraw/zinc/67/42/96/220674296.db2.gz IXXHONKZIJLORG-BJMVGYQFSA-N 0 0 391.221 4.408 50 5 GIBARN C[C@@H]1CCO[P@@](=O)([C@H](Nc2ccc(O)cc2)c2ccc([N+](=O)[O-])cc2)O1 ZINC000004063489 220676248 /nfs/dbraw/zinc/67/62/48/220676248.db2.gz OKDVAOWTAXOLHL-BAOZRZJASA-N 0 0 378.321 4.430 50 5 GIBARN Cc1ccccc1C(=O)Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2 ZINC000004175917 220690499 /nfs/dbraw/zinc/69/04/99/220690499.db2.gz FXUFJLSCQOGUNJ-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN COc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 ZINC000004982365 220804775 /nfs/dbraw/zinc/80/47/75/220804775.db2.gz NBWICBGEWHSMDV-UHFFFAOYSA-N 0 0 381.392 4.198 50 5 GIBARN O=C(c1ccc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1)N1CCCCC1 ZINC000005041945 220816862 /nfs/dbraw/zinc/81/68/62/220816862.db2.gz GJVQTBRLFOOABA-UHFFFAOYSA-N 0 0 384.461 4.030 50 5 GIBARN CCOc1ccc(Nc2cc(N3CCCCC3)c3nonc3c2[N+](=O)[O-])cc1 ZINC000005092655 220828223 /nfs/dbraw/zinc/82/82/23/220828223.db2.gz ZSGFKUDDKFOMFH-UHFFFAOYSA-N 0 0 383.408 4.264 50 5 GIBARN O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000005164657 220837722 /nfs/dbraw/zinc/83/77/22/220837722.db2.gz JUUIJZAHMCXCHQ-UHFFFAOYSA-N 0 0 376.324 4.214 50 5 GIBARN Nc1nc(NCc2ccc(Cl)cc2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000005249630 220849244 /nfs/dbraw/zinc/84/92/44/220849244.db2.gz DDHDDLPGODILFW-UHFFFAOYSA-N 0 0 388.790 4.115 50 5 GIBARN Cc1ccc(Oc2cc([N+](=O)[O-])cc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)c2)cc1 ZINC000006788488 220960803 /nfs/dbraw/zinc/96/08/03/220960803.db2.gz QGXUPNSFFULARO-KDURUIRLSA-N 0 0 380.400 4.375 50 5 GIBARN Cc1nn(CC(=O)N2c3ccccc3Sc3ccccc32)c(C)c1[N+](=O)[O-] ZINC000007391454 220995387 /nfs/dbraw/zinc/99/53/87/220995387.db2.gz WCOXFKZLNXFYMH-UHFFFAOYSA-N 0 0 380.429 4.238 50 5 GIBARN CCOc1cc(Br)c(Cn2nc(C)c([N+](=O)[O-])c2C)cc1OCC ZINC000007828365 221013614 /nfs/dbraw/zinc/01/36/14/221013614.db2.gz BTZPIOIYBSXGEP-UHFFFAOYSA-N 0 0 398.257 4.016 50 5 GIBARN CC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1 ZINC000008021424 221023355 /nfs/dbraw/zinc/02/33/55/221023355.db2.gz RICNWNOOYZHVMW-LJQANCHMSA-N 0 0 381.476 4.387 50 5 GIBARN COc1cc(C)c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC ZINC000008131273 221027423 /nfs/dbraw/zinc/02/74/23/221027423.db2.gz RVEJFGRVNVJHJC-UHFFFAOYSA-N 0 0 382.372 4.433 50 5 GIBARN Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(C)ccc2[N+](=O)[O-])o1 ZINC000008936336 221063770 /nfs/dbraw/zinc/06/37/70/221063770.db2.gz QWMIKUPMDOKAQS-UHFFFAOYSA-N 0 0 392.371 4.496 50 5 GIBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC000009682997 221089054 /nfs/dbraw/zinc/08/90/54/221089054.db2.gz VLEHKBYSKFAACN-OAHLLOKOSA-N 0 0 390.395 4.232 50 5 GIBARN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012516890 221199686 /nfs/dbraw/zinc/19/96/86/221199686.db2.gz CIKKENJPMJTFEN-HNNXBMFYSA-N 0 0 385.439 4.170 50 5 GIBARN COc1cccc(-c2noc(COc3ccc4[nH]c5ccccc5c(=O)c4c3)n2)c1 ZINC000012521526 221201765 /nfs/dbraw/zinc/20/17/65/221201765.db2.gz CHLQMYMTYRPBAR-UHFFFAOYSA-N 0 0 399.406 4.319 50 5 GIBARN Cc1ccc(NC(=O)CCCNc2ccccc2[N+](=O)[O-])c(Br)c1 ZINC000012555109 221206759 /nfs/dbraw/zinc/20/67/59/221206759.db2.gz SENOKXZXRGODLF-UHFFFAOYSA-N 0 0 392.253 4.497 50 5 GIBARN CNc1ccc(C(=O)Nc2ccc(OC)c(Cc3ccccc3)c2)cc1[N+](=O)[O-] ZINC000012556254 221206914 /nfs/dbraw/zinc/20/69/14/221206914.db2.gz VVRFIKMFQACTRK-UHFFFAOYSA-N 0 0 391.427 4.488 50 5 GIBARN O=C(/C=C/c1ccccc1[N+](=O)[O-])OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000012569959 221208683 /nfs/dbraw/zinc/20/86/83/221208683.db2.gz QFLKMUCSYWLDCJ-AATRIKPKSA-N 0 0 395.198 4.097 50 5 GIBARN COc1ccc(C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cc1[N+](=O)[O-] ZINC000012621046 221215601 /nfs/dbraw/zinc/21/56/01/221215601.db2.gz WWOCOXROCPFEPJ-UHFFFAOYSA-N 0 0 397.456 4.008 50 5 GIBARN O=[N+]([O-])c1ccccc1N1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000012587104 221211453 /nfs/dbraw/zinc/21/14/53/221211453.db2.gz TWAQRBZFOOUPLU-UHFFFAOYSA-N 0 0 398.850 4.225 50 5 GIBARN C[C@@H](c1ccc(F)c(F)c1)N(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012928857 221247832 /nfs/dbraw/zinc/24/78/32/221247832.db2.gz NLIKUECXZSHHAT-JTQLQIEISA-N 0 0 383.782 4.158 50 5 GIBARN Cc1cc(C2=N/C(=C\C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000012928442 221248436 /nfs/dbraw/zinc/24/84/36/221248436.db2.gz MCUIVCILTKWJSR-PXNMLYILSA-N 0 0 396.786 4.220 50 5 GIBARN CC1CCN(Cc2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)CC1 ZINC000012984629 221253257 /nfs/dbraw/zinc/25/32/57/221253257.db2.gz ROPDHINWGABCAJ-UHFFFAOYSA-N 0 0 394.884 4.189 50 5 GIBARN Cc1ccc(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 ZINC000013040037 221259114 /nfs/dbraw/zinc/25/91/14/221259114.db2.gz GTUWZULXZLEHBJ-UHFFFAOYSA-N 0 0 389.477 4.212 50 5 GIBARN CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000013957835 221294140 /nfs/dbraw/zinc/29/41/40/221294140.db2.gz HSMYIMCJOIGNGY-HNNXBMFYSA-N 0 0 394.431 4.186 50 5 GIBARN Cc1nc2cc(NC(=O)c3ccc(Br)c([N+](=O)[O-])c3)ccc2o1 ZINC000015593603 221337771 /nfs/dbraw/zinc/33/77/71/221337771.db2.gz ABPWMMDOSDKSCA-UHFFFAOYSA-N 0 0 376.166 4.059 50 5 GIBARN CCOc1ccc([C@H](C)NC(=S)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000017076787 221375861 /nfs/dbraw/zinc/37/58/61/221375861.db2.gz IVXQRZYPWRIPKB-LBPRGKRZSA-N 0 0 375.450 4.050 50 5 GIBARN O=C(NCCC1=CCCCC1)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000020516236 221496545 /nfs/dbraw/zinc/49/65/45/221496545.db2.gz CPNKFQNRNZSUET-UHFFFAOYSA-N 0 0 398.507 4.337 50 5 GIBARN Cc1cccc(C)c1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c32)C1=O ZINC000059640876 136155818 /nfs/dbraw/zinc/15/58/18/136155818.db2.gz NWXREIOLQBQTBR-UHFFFAOYSA-N 0 0 391.339 4.074 50 5 GIBARN O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000078903656 136172764 /nfs/dbraw/zinc/17/27/64/136172764.db2.gz XKCDYHANGHINAK-CYBMUJFWSA-N 0 0 391.374 4.051 50 5 GIBARN Cc1cc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Cl)cc1[N+](=O)[O-] ZINC000170649888 136199257 /nfs/dbraw/zinc/19/92/57/136199257.db2.gz SZZMBPDUJBQAHV-AWEZNQCLSA-N 0 0 389.887 4.259 50 5 GIBARN Cc1c(Cl)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc12 ZINC000020683720 136202927 /nfs/dbraw/zinc/20/29/27/136202927.db2.gz WZUAOYASMBFQPH-UHFFFAOYSA-N 0 0 396.878 4.427 50 5 GIBARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024232696 221612652 /nfs/dbraw/zinc/61/26/52/221612652.db2.gz KDEGHQDWVOEGLR-UHFFFAOYSA-N 0 0 397.218 4.004 50 5 GIBARN O=C(NCc1ccc(Br)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000025472096 221630841 /nfs/dbraw/zinc/63/08/41/221630841.db2.gz VELSAWQYKNPZRT-UHFFFAOYSA-N 0 0 375.631 4.002 50 5 GIBARN Nc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000029223504 221691247 /nfs/dbraw/zinc/69/12/47/221691247.db2.gz CFHBGTHYWJPBKG-UHFFFAOYSA-N 0 0 375.428 4.062 50 5 GIBARN CN(Cc1ccc(F)c(F)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000032760780 221731960 /nfs/dbraw/zinc/73/19/60/221731960.db2.gz HAGUUWPEXXWXAN-UHFFFAOYSA-N 0 0 392.405 4.092 50 5 GIBARN COc1ccccc1C1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCOCC1 ZINC000057150086 222029749 /nfs/dbraw/zinc/02/97/49/222029749.db2.gz OBRCZDPNASENSE-UHFFFAOYSA-N 0 0 393.443 4.312 50 5 GIBARN Cc1oc(-c2ccco2)nc1CC(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000095997563 222368889 /nfs/dbraw/zinc/36/88/89/222368889.db2.gz FWGMMEYRWVXOTL-UHFFFAOYSA-N 0 0 395.293 4.351 50 5 GIBARN CC[C@@H](C)N(CCc1nc(-c2cccc([N+](=O)[O-])c2)no1)C(=O)c1ccccc1 ZINC000096277170 222407493 /nfs/dbraw/zinc/40/74/93/222407493.db2.gz DWAXVYNNNGYXGW-OAHLLOKOSA-N 0 0 394.431 4.128 50 5 GIBARN COc1ccc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc1Cl ZINC000032777269 534087007 /nfs/dbraw/zinc/08/70/07/534087007.db2.gz RNZODEPOQUSUPK-UHFFFAOYSA-N 0 0 393.808 4.129 50 5 GIBARN CC(C)(C)c1cnc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)o1 ZINC000097001938 535145011 /nfs/dbraw/zinc/14/50/11/535145011.db2.gz DXOOCSQXYIIOEY-UHFFFAOYSA-N 0 0 387.436 4.228 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(NC(=O)NC(=O)c2c(Cl)cccc2Cl)c1C ZINC000004300443 570217592 /nfs/dbraw/zinc/21/75/92/570217592.db2.gz QHRCYLAXWPSOMG-UHFFFAOYSA-N 0 0 382.203 4.480 50 5 GIBARN CCCCn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3cc-2c1=O ZINC000002124415 570275292 /nfs/dbraw/zinc/27/52/92/570275292.db2.gz NECRYMIQCSTGMC-UHFFFAOYSA-N 0 0 379.847 4.106 50 5 GIBARN COc1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(OC)cc1Cl ZINC000004837809 570306605 /nfs/dbraw/zinc/30/66/05/570306605.db2.gz DGNQHDMHTHKQGD-UHFFFAOYSA-N 0 0 396.852 4.137 50 5 GIBARN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000004840374 570307002 /nfs/dbraw/zinc/30/70/02/570307002.db2.gz LOSGCSXGUCYVCK-UHFFFAOYSA-N 0 0 381.432 4.172 50 5 GIBARN Cc1c(OCC(=O)c2cccc([N+](=O)[O-])c2)ccc2c3ccccc3c(=O)oc12 ZINC000002859067 570310690 /nfs/dbraw/zinc/31/06/90/570310690.db2.gz FKMPCNTVZXOKER-UHFFFAOYSA-N 0 0 389.363 4.425 50 5 GIBARN O=C(c1ccc(Br)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004846145 570316259 /nfs/dbraw/zinc/31/62/59/570316259.db2.gz PTDXKPMWVOLMJB-UHFFFAOYSA-N 0 0 375.222 4.189 50 5 GIBARN O=[N+]([O-])c1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)nc1 ZINC000023616935 570328227 /nfs/dbraw/zinc/32/82/27/570328227.db2.gz AGIRYIPXHXACAK-MRXNPFEDSA-N 0 0 382.445 4.184 50 5 GIBARN O=C(COc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1)c1ccccc1 ZINC000006227488 570343732 /nfs/dbraw/zinc/34/37/32/570343732.db2.gz VXYBBNDVIGDHLS-UHFFFAOYSA-N 0 0 376.368 4.109 50 5 GIBARN Cc1ccc(NC(=O)[C@@H](OC(=O)[C@H]2CC=CCC2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000006290915 570363357 /nfs/dbraw/zinc/36/33/57/570363357.db2.gz WUFSWNXTXVOHCA-PXNSSMCTSA-N 0 0 394.427 4.483 50 5 GIBARN CCOC(=O)N=[S@@](=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000100496181 570373383 /nfs/dbraw/zinc/37/33/83/570373383.db2.gz UUMFTMJRVGLCSF-VWLOTQADSA-N 0 0 384.797 4.226 50 5 GIBARN CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000004948328 570376928 /nfs/dbraw/zinc/37/69/28/570376928.db2.gz WKLJFGDQICBTMS-UHFFFAOYSA-N 0 0 389.458 4.334 50 5 GIBARN O=C(Nc1ccccc1C(=O)NC1CCCCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000022962115 570379812 /nfs/dbraw/zinc/37/98/12/570379812.db2.gz CENAKNGDXWLDBU-UHFFFAOYSA-N 0 0 385.420 4.283 50 5 GIBARN CN(c1ccc(-c2n[nH]c(=O)c3ccccc32)cc1[N+](=O)[O-])C1CCCCC1 ZINC000005026350 570400001 /nfs/dbraw/zinc/40/00/01/570400001.db2.gz UDALQZNWPGRGDW-UHFFFAOYSA-N 0 0 378.432 4.267 50 5 GIBARN O=[N+]([O-])c1cccc(/C=C2\CCC[C@H]3C2=NN[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000005042919 570404587 /nfs/dbraw/zinc/40/45/87/570404587.db2.gz RGRTYFKGIAIUIH-FQOLNDBWSA-N 0 0 378.388 4.387 50 5 GIBARN Cc1c(OC(=O)CCNC(=O)OC(C)(C)C)ccc2c3ccccc3c(=O)oc12 ZINC000005047321 570405940 /nfs/dbraw/zinc/40/59/40/570405940.db2.gz MSAXLGWSDXSJHH-UHFFFAOYSA-N 0 0 397.427 4.075 50 5 GIBARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001848584 570436948 /nfs/dbraw/zinc/43/69/48/570436948.db2.gz QPNMKRYEXAGDFJ-UHFFFAOYSA-N 0 0 394.339 4.301 50 5 GIBARN C[C@H]1CCc2sc(-c3nnc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)o3)cc2C1 ZINC000006560590 570477395 /nfs/dbraw/zinc/47/73/95/570477395.db2.gz LAAHHYOHZUEOLA-VIFPVBQESA-N 0 0 386.389 4.406 50 5 GIBARN O=c1c2ccccc2oc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12 ZINC000002442452 570485894 /nfs/dbraw/zinc/48/58/94/570485894.db2.gz NDMZLGKMNYJCIZ-UHFFFAOYSA-N 0 0 376.412 4.192 50 5 GIBARN Cc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)cc1[N+](=O)[O-] ZINC000005172866 570492104 /nfs/dbraw/zinc/49/21/04/570492104.db2.gz WVVZLQXDBXWEEM-ZSOIEALJSA-N 0 0 387.189 4.010 50 5 GIBARN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000005173431 570492343 /nfs/dbraw/zinc/49/23/43/570492343.db2.gz HPRZFUAROFYYPE-UHFFFAOYSA-N 0 0 385.763 4.346 50 5 GIBARN O=C(Cc1ccc(F)cc1)Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1 ZINC000022340117 570538310 /nfs/dbraw/zinc/53/83/10/570538310.db2.gz BBBVHMSOLKBMLK-UHFFFAOYSA-N 0 0 383.404 4.461 50 5 GIBARN Cc1ccc(-c2c3c(N)c(C(N)=O)sc3nc3c4ccccc4nnc32)cc1 ZINC000001106236 570561922 /nfs/dbraw/zinc/56/19/22/570561922.db2.gz HMCWKDGTEQRYEO-UHFFFAOYSA-N 0 0 385.452 4.049 50 5 GIBARN O=C(Nc1ccn(Cc2ccccn2)n1)c1cc2ccccc2c2cccnc12 ZINC000225523367 570583701 /nfs/dbraw/zinc/58/37/01/570583701.db2.gz KOXZXWSMHYCKQE-UHFFFAOYSA-N 0 0 379.423 4.280 50 5 GIBARN Cc1ccc2oc(/C=C/c3coc4ccc([N+](=O)[O-])cc4c3=O)cc(=O)c2c1 ZINC000005418012 570588766 /nfs/dbraw/zinc/58/87/66/570588766.db2.gz AEYXPFSYMDZRFL-HWKANZROSA-N 0 0 375.336 4.286 50 5 GIBARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1 ZINC000005420044 570588861 /nfs/dbraw/zinc/58/88/61/570588861.db2.gz DYWAYSUHWBREPW-UHFFFAOYSA-N 0 0 386.404 4.203 50 5 GIBARN Cc1cccc2c3nc4ccccc4nc3n(CCOC(=O)c3cccnc3)c21 ZINC000005516217 570623777 /nfs/dbraw/zinc/62/37/77/570623777.db2.gz CNTUWSWRBWOGIT-UHFFFAOYSA-N 0 0 382.423 4.298 50 5 GIBARN O=C(c1ccccc1)c1ccc(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000006866880 570655157 /nfs/dbraw/zinc/65/51/57/570655157.db2.gz FMMAKEXJZAGXQY-UHFFFAOYSA-N 0 0 376.368 4.167 50 5 GIBARN Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000005793823 570690682 /nfs/dbraw/zinc/69/06/82/570690682.db2.gz BODGUVVFFDZREL-UHFFFAOYSA-N 0 0 383.187 4.006 50 5 GIBARN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(Cc1ccco1)c1ccc(F)cc1 ZINC000032632660 570712044 /nfs/dbraw/zinc/71/20/44/570712044.db2.gz IHGZCBIESDKHHQ-UHFFFAOYSA-N 0 0 390.392 4.031 50 5 GIBARN Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000999417 570744527 /nfs/dbraw/zinc/74/45/27/570744527.db2.gz KIYGQFQXMCCVDL-UHFFFAOYSA-N 0 0 384.823 4.362 50 5 GIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000001164431 570759747 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GIBARN O=C(c1cccc([N+](=O)[O-])c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 ZINC000003426578 570867127 /nfs/dbraw/zinc/86/71/27/570867127.db2.gz VQMJHMFEMJQBDM-HNNXBMFYSA-N 0 0 383.429 4.030 50 5 GIBARN C[C@@H](Nc1ccc([N+](=O)[O-])cn1)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170616191 570873905 /nfs/dbraw/zinc/87/39/05/570873905.db2.gz NKLLAOAXXIHKEZ-SNVBAGLBSA-N 0 0 388.225 4.316 50 5 GIBARN N=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1nccs1 ZINC000004580181 570909110 /nfs/dbraw/zinc/90/91/10/570909110.db2.gz GWKKWKRFTOLTCW-PHUAOCSASA-N 0 0 398.425 4.367 50 5 GIBARN CC(C)(NC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000032936991 570948506 /nfs/dbraw/zinc/94/85/06/570948506.db2.gz FDIPRDIIBRABNC-UHFFFAOYSA-N 0 0 378.226 4.414 50 5 GIBARN Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(-c2n[nH]c(C3CC3)n2)c1 ZINC000047421111 570956151 /nfs/dbraw/zinc/95/61/51/570956151.db2.gz ALPUYXULYAFLHQ-UHFFFAOYSA-N 0 0 377.404 4.126 50 5 GIBARN CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2c1ncc(-c2ccc([N+](=O)[O-])cc2)s1 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C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000002838214 817403479 /nfs/dbraw/zinc/40/34/79/817403479.db2.gz IDETUEDQJFLGIP-HNNXBMFYSA-N 0 0 389.411 4.338 50 5 GIBARN CC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1 ZINC000002998005 817410767 /nfs/dbraw/zinc/41/07/67/817410767.db2.gz HPGXXVNCRNGDBS-UHFFFAOYSA-N 0 0 387.442 4.138 50 5 GIBARN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1 ZINC000003067855 817416858 /nfs/dbraw/zinc/41/68/58/817416858.db2.gz ZLTLWQREWGVWAM-OAHLLOKOSA-N 0 0 382.441 4.301 50 5 GIBARN COc1cccc(C(=O)Nc2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000003085201 817417502 /nfs/dbraw/zinc/41/75/02/817417502.db2.gz CVSUWBOVZSWSGN-UHFFFAOYSA-N 0 0 392.367 4.075 50 5 GIBARN Cc1c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)cccc1[N+](=O)[O-] ZINC000003231703 817424878 /nfs/dbraw/zinc/42/48/78/817424878.db2.gz HUIJBTJGTYETKP-UHFFFAOYSA-N 0 0 383.187 4.006 50 5 GIBARN O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1ccc(Cl)cc1C(F)(F)F ZINC000003443396 817456679 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212247009 /nfs/dbraw/zinc/24/70/09/212247009.db2.gz YVVKFHMHQUPUOV-UHFFFAOYSA-N 0 0 397.412 4.147 50 5 GIBARN CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000010187922 212237119 /nfs/dbraw/zinc/23/71/19/212237119.db2.gz SYOKOSFLXUXLTJ-UHFFFAOYSA-N 0 0 391.427 4.181 50 5 GIBARN Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 ZINC000001313186 212235327 /nfs/dbraw/zinc/23/53/27/212235327.db2.gz PMFLKIFJKVKUSI-UHFFFAOYSA-N 0 0 391.343 4.338 50 5 GIBARN CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000001173578 212225507 /nfs/dbraw/zinc/22/55/07/212225507.db2.gz SLERPHVEOZCVBK-UHFFFAOYSA-N 0 0 393.852 4.162 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000001166380 212225352 /nfs/dbraw/zinc/22/53/52/212225352.db2.gz FGKSVCFXXBZDHL-UHFFFAOYSA-N 0 0 389.839 4.499 50 5 GIBARN CC1(C)C(=O)[C@](C)(CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)O[C@H]1c1ccccc1 ZINC000001149391 212222908 /nfs/dbraw/zinc/22/29/08/212222908.db2.gz 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C[C@H](NC(=O)COc1cc(F)ccc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000003442761 220644846 /nfs/dbraw/zinc/64/48/46/220644846.db2.gz GUSKWVOWKSIGQK-VIFPVBQESA-N 0 0 387.194 4.297 50 5 GIBARN Nc1c(C(=O)N(c2ccccc2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003878382 220668104 /nfs/dbraw/zinc/66/81/04/220668104.db2.gz XBYNEMNYEWMBNA-UHFFFAOYSA-N 0 0 378.344 4.064 50 5 GIBARN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000004031453 220672798 /nfs/dbraw/zinc/67/27/98/220672798.db2.gz RISTVKJXPQRAAW-UHFFFAOYSA-N 0 0 398.400 4.496 50 5 GIBARN CN(c1ccc(-c2nn(C)c(=O)c3ccccc32)cc1[N+](=O)[O-])C1CCCCC1 ZINC000004164513 220688100 /nfs/dbraw/zinc/68/81/00/220688100.db2.gz MOFDOPHJWQYOLK-UHFFFAOYSA-N 0 0 392.459 4.278 50 5 GIBARN Cc1ccccc1C(=O)Nc1nnc(SCc2cccc([N+](=O)[O-])c2)s1 ZINC000004328227 220706085 /nfs/dbraw/zinc/70/60/85/220706085.db2.gz QDDDRRJNKMOXQT-UHFFFAOYSA-N 0 0 386.458 4.299 50 5 GIBARN Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] ZINC000004652314 220740594 /nfs/dbraw/zinc/74/05/94/220740594.db2.gz JJZBMSRKDPFJRZ-JSFDKUKPSA-N 0 0 387.436 4.146 50 5 GIBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004983759 220804349 /nfs/dbraw/zinc/80/43/49/220804349.db2.gz ZVOLYASYZAICRO-UHFFFAOYSA-N 0 0 394.475 4.438 50 5 GIBARN O=C(CSc1ncnc2c3ccccc3oc21)Nc1cccc([N+](=O)[O-])c1 ZINC000005182545 220840814 /nfs/dbraw/zinc/84/08/14/220840814.db2.gz PZDNOAHQBAZUIF-UHFFFAOYSA-N 0 0 380.385 4.015 50 5 GIBARN Cc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1Cl ZINC000005270762 220854516 /nfs/dbraw/zinc/85/45/16/220854516.db2.gz BBXNLTFAQGZFFL-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN Cc1ccccc1Cn1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1=O ZINC000005269271 220854536 /nfs/dbraw/zinc/85/45/36/220854536.db2.gz QWZYEWRCZXSJRN-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN O=C(Nc1cccc2ccccc21)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000005270728 220854566 /nfs/dbraw/zinc/85/45/66/220854566.db2.gz FGYLMBFAGWHBBT-UHFFFAOYSA-N 0 0 399.406 4.210 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(N2CCCCC2)cc1 ZINC000005711325 220893952 /nfs/dbraw/zinc/89/39/52/220893952.db2.gz GEAZMCBKQXFVBG-UHFFFAOYSA-N 0 0 389.839 4.256 50 5 GIBARN O=c1cc(CSc2nc3ccccc3c(=O)[nH]2)c2c(ccc3ccccc32)o1 ZINC000006508781 220938860 /nfs/dbraw/zinc/93/88/60/220938860.db2.gz UEOSPWBISKGBQR-UHFFFAOYSA-N 0 0 386.432 4.475 50 5 GIBARN COc1ccc(O[C@H](C)C(=O)Nc2nc(-c3ccccc3)cs2)c([N+](=O)[O-])c1 ZINC000007035454 220983477 /nfs/dbraw/zinc/98/34/77/220983477.db2.gz UXGYFHGRRNOYFC-GFCCVEGCSA-N 0 0 399.428 4.133 50 5 GIBARN Cc1nnc(COC(=O)c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)o1 ZINC000007781677 221011675 /nfs/dbraw/zinc/01/16/75/221011675.db2.gz RZDVGYWXYAFTOT-UHFFFAOYSA-N 0 0 385.401 4.103 50 5 GIBARN O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008000878 221023854 /nfs/dbraw/zinc/02/38/54/221023854.db2.gz BSPJFFUNSGZUJX-IBGZPJMESA-N 0 0 399.497 4.304 50 5 GIBARN COc1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl ZINC000008027338 221023889 /nfs/dbraw/zinc/02/38/89/221023889.db2.gz XZKJMRIKFXMXGX-UHFFFAOYSA-N 0 0 389.839 4.112 50 5 GIBARN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000008286377 221035036 /nfs/dbraw/zinc/03/50/36/221035036.db2.gz LDOXPKKHLICXMA-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN CCn1c2ccccc2c(N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])c1=O ZINC000008856677 221061219 /nfs/dbraw/zinc/06/12/19/221061219.db2.gz ZEYBKCXBQQWDPS-UHFFFAOYSA-N 0 0 391.471 4.389 50 5 GIBARN CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000008586780 221044689 /nfs/dbraw/zinc/04/46/89/221044689.db2.gz CXNLDAQVYIGHQL-GFCCVEGCSA-N 0 0 389.477 4.220 50 5 GIBARN CN(C)c1ccc(C(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000009891625 221093514 /nfs/dbraw/zinc/09/35/14/221093514.db2.gz XSZGVSKEKXRJMS-IBGZPJMESA-N 0 0 399.447 4.381 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C ZINC000012797820 221234115 /nfs/dbraw/zinc/23/41/15/221234115.db2.gz CQUZLASWBAINRM-UHFFFAOYSA-N 0 0 395.419 4.059 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000012870075 221239903 /nfs/dbraw/zinc/23/99/03/221239903.db2.gz AECKMLNIXLHOST-FQEVSTJZSA-N 0 0 382.441 4.249 50 5 GIBARN Cc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000012873730 221240088 /nfs/dbraw/zinc/24/00/88/221240088.db2.gz CJPQEDJFMNMPHP-GOSISDBHSA-N 0 0 382.416 4.042 50 5 GIBARN Cc1ccc([N+](=O)[O-])c(OCC(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000012870082 221240553 /nfs/dbraw/zinc/24/05/53/221240553.db2.gz AECKMLNIXLHOST-HXUWFJFHSA-N 0 0 382.441 4.249 50 5 GIBARN CCOc1c(Br)cc(F)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012928804 221248110 /nfs/dbraw/zinc/24/81/10/221248110.db2.gz PPKBJUBKEAHAHZ-UHFFFAOYSA-N 0 0 383.173 4.147 50 5 GIBARN CCOc1ccc2[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2c1 ZINC000012969468 221249995 /nfs/dbraw/zinc/24/99/95/221249995.db2.gz YYSJETSERDJHGZ-UHFFFAOYSA-N 0 0 387.417 4.029 50 5 GIBARN O=[N+]([O-])c1cccnc1N1CCC(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000013144203 221262984 /nfs/dbraw/zinc/26/29/84/221262984.db2.gz KTBYYFABLDEWPS-UHFFFAOYSA-N 0 0 383.839 4.417 50 5 aggregator GIBARN CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000013776815 221287881 /nfs/dbraw/zinc/28/78/81/221287881.db2.gz PXTKFKMXFFGALT-UHFFFAOYSA-N 0 0 393.443 4.187 50 5 GIBARN O=[N+]([O-])c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)nc1 ZINC000014637161 221313176 /nfs/dbraw/zinc/31/31/76/221313176.db2.gz WOKLXPQHEKSKQD-UHFFFAOYSA-N 0 0 378.763 4.261 50 5 GIBARN O=C(Nc1nc2c(s1)CCC2)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000015636386 221338061 /nfs/dbraw/zinc/33/80/61/221338061.db2.gz TUAKPNJAEISFGA-UHFFFAOYSA-N 0 0 386.477 4.173 50 5 GIBARN O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000015976902 221353382 /nfs/dbraw/zinc/35/33/82/221353382.db2.gz PVEAMDVADDPQSW-UHFFFAOYSA-N 0 0 379.338 4.118 50 5 GIBARN CCCCn1nc(C)c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)OCC)c1Cl ZINC000016699143 221369528 /nfs/dbraw/zinc/36/95/28/221369528.db2.gz MFQFIYZTTIHJNC-BQYQJAHWSA-N 0 0 392.843 4.295 50 5 GIBARN CC(C)(C)c1ccc(NC(=O)N2CCCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 ZINC000019834477 221458212 /nfs/dbraw/zinc/45/82/12/221458212.db2.gz WZLRYDZZESQHPJ-UHFFFAOYSA-N 0 0 397.479 4.032 50 5 GIBARN O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005099294 136194450 /nfs/dbraw/zinc/19/44/50/136194450.db2.gz FSKVTWKACDWYIJ-UHFFFAOYSA-N 0 0 399.834 4.190 50 5 GIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1N1CCCCC1=O ZINC000005441827 136194891 /nfs/dbraw/zinc/19/48/91/136194891.db2.gz MSKYHCKYVGAJDF-UHFFFAOYSA-N 0 0 387.823 4.326 50 5 GIBARN CC(=O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000006313268 136195154 /nfs/dbraw/zinc/19/51/54/136195154.db2.gz MJKRMFVTLWBXAR-UHFFFAOYSA-N 0 0 393.365 4.143 50 5 GIBARN COc1ccc(CN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C2CC2)cc1 ZINC000032753986 221730456 /nfs/dbraw/zinc/73/04/56/221730456.db2.gz ZWRDHLSCFDNIKX-OIQJVACTSA-N 0 0 380.444 4.444 50 5 GIBARN C[C@H](NC(=O)c1csc(COc2ccc([N+](=O)[O-])cc2)n1)c1ccccc1 ZINC000036084614 221840446 /nfs/dbraw/zinc/84/04/46/221840446.db2.gz RIMFHGLYXXTUKC-ZDUSSCGKSA-N 0 0 383.429 4.121 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc2ccccc2n1 ZINC000036392689 221857598 /nfs/dbraw/zinc/85/75/98/221857598.db2.gz UTECFXLFUZBROU-UHFFFAOYSA-N 0 0 379.419 4.342 50 5 GIBARN COc1ccccc1[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1nccn1C ZINC000053599782 222010610 /nfs/dbraw/zinc/01/06/10/222010610.db2.gz UESJFLVLNXHEGE-HXUWFJFHSA-N 0 0 389.415 4.087 50 5 GIBARN Cc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000064984002 222092225 /nfs/dbraw/zinc/09/22/25/222092225.db2.gz VKQQLYDEFAHNCT-AWEZNQCLSA-N 0 0 380.491 4.271 50 5 GIBARN COc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000089453722 222327050 /nfs/dbraw/zinc/32/70/50/222327050.db2.gz GBTRDMGTNKLXMT-UHFFFAOYSA-N 0 0 399.428 4.148 50 5 GIBARN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000084383281 222315928 /nfs/dbraw/zinc/31/59/28/222315928.db2.gz MVWKSTXMRFNNPB-JKSUJKDBSA-N 0 0 383.404 4.143 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])OCc1nc2ccccc2c2ccccc12 ZINC000006590458 526996509 /nfs/dbraw/zinc/99/65/09/526996509.db2.gz BGZBCXCCVAWPTR-UHFFFAOYSA-N 0 0 388.379 4.418 50 5 GIBARN CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000040151527 529109297 /nfs/dbraw/zinc/10/92/97/529109297.db2.gz PWYRANSLTHNSHC-UHFFFAOYSA-N 0 0 396.468 4.395 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])o1)N(Cc1ccccn1)c1nc2ccccc2s1 ZINC000004304738 570219674 /nfs/dbraw/zinc/21/96/74/570219674.db2.gz SCHGEFWOSIBWIO-UHFFFAOYSA-N 0 0 380.385 4.040 50 5 GIBARN CC(C)NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1 ZINC000044086085 570235157 /nfs/dbraw/zinc/23/51/57/570235157.db2.gz SRYLUBCWZQIILZ-UHFFFAOYSA-N 0 0 396.472 4.064 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000004866863 570350761 /nfs/dbraw/zinc/35/07/61/570350761.db2.gz MLOXCBSEAAOLCZ-VGOFMYFVSA-N 0 0 385.379 4.170 50 5 GIBARN COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000004866869 570350822 /nfs/dbraw/zinc/35/08/22/570350822.db2.gz UGCNOHVPIZJYMA-SDNWHVSQSA-N 0 0 399.406 4.473 50 5 GIBARN COc1cc(NC(=O)CSc2nc3ccccc3s2)c(C)cc1[N+](=O)[O-] ZINC000005035121 570403594 /nfs/dbraw/zinc/40/35/94/570403594.db2.gz DXZKCHOBNYIHNX-UHFFFAOYSA-N 0 0 389.458 4.252 50 5 GIBARN O=[N+]([O-])c1cccc(/C=C2\CCC[C@@H]3C2=NN[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000005042916 570404698 /nfs/dbraw/zinc/40/46/98/570404698.db2.gz RGRTYFKGIAIUIH-LQFRORHJSA-N 0 0 378.388 4.387 50 5 GIBARN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2)cc1C ZINC000005119506 570420195 /nfs/dbraw/zinc/42/01/95/570420195.db2.gz QHYQRRRIYVPMJR-UHFFFAOYSA-N 0 0 398.400 4.496 50 5 GIBARN Nc1nc(NCc2ccc(Cl)cc2)nc(Nc2ccccc2F)c1[N+](=O)[O-] ZINC000005164532 570472598 /nfs/dbraw/zinc/47/25/98/570472598.db2.gz LPTZYILVRWQPEA-UHFFFAOYSA-N 0 0 388.790 4.115 50 5 GIBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000006579079 570480513 /nfs/dbraw/zinc/48/05/13/570480513.db2.gz HZIBEKITKZVHFC-RMKNXTFCSA-N 0 0 383.404 4.433 50 5 GIBARN O=[N+]([O-])c1cc(CSc2nc3cc(Cl)ccc3[nH]2)c2c(c1)COCO2 ZINC000006648454 570517895 /nfs/dbraw/zinc/51/78/95/570517895.db2.gz ACXIMKOMHWNURE-UHFFFAOYSA-N 0 0 377.809 4.283 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000005235460 570523978 /nfs/dbraw/zinc/52/39/78/570523978.db2.gz MAWAZQBWUQGXSM-HXUWFJFHSA-N 0 0 388.379 4.301 50 5 GIBARN Cc1cccc(Nc2nc3ccc([N+](=O)[O-])cc3nc2Nc2cccc(C)c2)c1 ZINC000102309428 570542367 /nfs/dbraw/zinc/54/23/67/570542367.db2.gz OPZYDBUZFINYIS-UHFFFAOYSA-N 0 0 385.427 4.486 50 5 GIBARN O=C(COc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1Br ZINC000005344477 570556623 /nfs/dbraw/zinc/55/66/23/570556623.db2.gz ZLADLAWBWKBBMQ-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005390761 570575665 /nfs/dbraw/zinc/57/56/65/570575665.db2.gz UKUCBMWYUCNABO-UHFFFAOYSA-N 0 0 397.218 4.136 50 5 GIBARN Cc1ccc(C)c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)c1 ZINC000040398726 570602513 /nfs/dbraw/zinc/60/25/13/570602513.db2.gz QOTFVIFUUGSBEV-UHFFFAOYSA-N 0 0 393.446 4.307 50 5 GIBARN CCOc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004601010 570647681 /nfs/dbraw/zinc/64/76/81/570647681.db2.gz JAMIREABCBRHQD-UHFFFAOYSA-N 0 0 381.392 4.285 50 5 GIBARN COc1ccc(-c2nc(C)c(CCNC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000004392468 570728752 /nfs/dbraw/zinc/72/87/52/570728752.db2.gz CTUNLPGDUSQYMB-UHFFFAOYSA-N 0 0 397.456 4.008 50 5 GIBARN Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)N3CCCCCC3)c12 ZINC000036618395 570759391 /nfs/dbraw/zinc/75/93/91/570759391.db2.gz FAVJMZOLJHIUBM-UHFFFAOYSA-N 0 0 380.404 4.123 50 5 GIBARN O=C(Nc1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Br ZINC000001176243 570787384 /nfs/dbraw/zinc/78/73/84/570787384.db2.gz ZYUSFRURXPZEBM-UHFFFAOYSA-N 0 0 378.207 4.219 50 5 GIBARN CC(=O)c1ccc(NCc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1 ZINC000025571242 570791210 /nfs/dbraw/zinc/79/12/10/570791210.db2.gz NIMHUUYIJFGLKC-UHFFFAOYSA-N 0 0 379.372 4.255 50 5 GIBARN O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000005939491 570806176 /nfs/dbraw/zinc/80/61/76/570806176.db2.gz ZOXJUSHOVVHABY-UHFFFAOYSA-N 0 0 395.337 4.346 50 5 GIBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NCc1cccnc1)c1ccccc1 ZINC000005939592 570806216 /nfs/dbraw/zinc/80/62/16/570806216.db2.gz IZQBURMWPFFPQA-IBGZPJMESA-N 0 0 396.834 4.113 50 5 GIBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(Cl)c1 ZINC000004660006 570810128 /nfs/dbraw/zinc/81/01/28/570810128.db2.gz ZNCSYJAUELZUOU-UHFFFAOYSA-N 0 0 392.842 4.455 50 5 GIBARN CCCCOc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000004662875 570811507 /nfs/dbraw/zinc/81/15/07/570811507.db2.gz MLDZPUMISSBVPG-UHFFFAOYSA-N 0 0 387.461 4.209 50 5 GIBARN COc1ccc(-c2nc(COc3ccc(C)nc3[N+](=O)[O-])cs2)cc1OC ZINC000007229503 570817493 /nfs/dbraw/zinc/81/74/93/570817493.db2.gz GGBNXBDPLJPXMO-UHFFFAOYSA-N 0 0 387.417 4.018 50 5 GIBARN O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1cccc([N+](=O)[O-])c1 ZINC000004672424 570819477 /nfs/dbraw/zinc/81/94/77/570819477.db2.gz GUIBKBLOJUUBCT-JLHYYAGUSA-N 0 0 385.379 4.170 50 5 GIBARN CC(=O)Nc1ccc(CNc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000032829315 570844270 /nfs/dbraw/zinc/84/42/70/570844270.db2.gz JBPFTXHRKPVCKB-UHFFFAOYSA-N 0 0 398.297 4.092 50 5 GIBARN Cc1ccc(C2=N/C(=C\C3=Cc4cc(Cl)ccc4OC3)C(=O)O2)cc1[N+](=O)[O-] ZINC000032869071 570862074 /nfs/dbraw/zinc/86/20/74/570862074.db2.gz VZKAEOBSQMBGTQ-APSNUPSMSA-N 0 0 396.786 4.220 50 5 GIBARN CCOC(=O)/C=C(/C)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102896699 570870472 /nfs/dbraw/zinc/87/04/72/570870472.db2.gz VGJYXBJMJKTRGX-NLBZTSMMSA-N 0 0 379.416 4.213 50 5 GIBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000004690738 570897425 /nfs/dbraw/zinc/89/74/25/570897425.db2.gz 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Cc1csc([C@@H](OC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(F)(F)F)n1 ZINC000098072331 570990356 /nfs/dbraw/zinc/99/03/56/570990356.db2.gz AWDUWWWHPPMHOT-SNVBAGLBSA-N 0 0 380.731 4.474 50 5 GIBARN C[C@H](c1nc2ccccc2s1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000025927184 570999902 /nfs/dbraw/zinc/99/99/02/570999902.db2.gz ICLDWXFZHWYPDO-OAHLLOKOSA-N 0 0 382.489 4.083 50 5 GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002235482 817380306 /nfs/dbraw/zinc/38/03/06/817380306.db2.gz YAOZSDPFFVGNCT-UHFFFAOYSA-N 0 0 387.418 4.141 50 5 GIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O ZINC000002399956 817387108 /nfs/dbraw/zinc/38/71/08/817387108.db2.gz KKXMHGAYAUSUFY-CQSZACIVSA-N 0 0 399.454 4.263 50 5 GIBARN CCc1ccc(NC(=O)CSc2nccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002723727 817398649 /nfs/dbraw/zinc/39/86/49/817398649.db2.gz DXSDSBGTXRXQSN-UHFFFAOYSA-N 0 0 382.445 4.074 50 5 GIBARN Cc1nn(Cc2ccc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)o2)c(C)c1Cl ZINC000002762379 817399366 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CCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000002912491 817405642 /nfs/dbraw/zinc/40/56/42/817405642.db2.gz VZRSDHVPWNNCTF-KRWDZBQOSA-N 0 0 395.444 4.452 50 5 GIBARN CCSc1ccc(C(=O)NCCOc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000002999184 817410823 /nfs/dbraw/zinc/41/08/23/817410823.db2.gz IKSAZAZGKNAXCE-UHFFFAOYSA-N 0 0 380.853 4.169 50 5 GIBARN C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000003245461 817427070 /nfs/dbraw/zinc/42/70/70/817427070.db2.gz UVZCKYSONPWEST-WLYUNCDWSA-N 0 0 376.453 4.318 50 5 GIBARN COc1ccc(-c2oc3ccc(Br)cc3c(=O)c2C)cc1[N+](=O)[O-] ZINC000003324762 817436952 /nfs/dbraw/zinc/43/69/52/817436952.db2.gz JUWPXOYAGACFJH-UHFFFAOYSA-N 0 0 390.189 4.448 50 5 GIBARN O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Oc2ccccc2)c1 ZINC000003371248 817443934 /nfs/dbraw/zinc/44/39/34/817443934.db2.gz STYDERGIILLYRL-UHFFFAOYSA-N 0 0 392.367 4.183 50 5 GIBARN CC(C)(C)n1nc2c(c1NC(=O)c1cc([N+](=O)[O-])ccc1Cl)CSC2 ZINC000004088668 817502771 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5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000000989813 212202234 /nfs/dbraw/zinc/20/22/34/212202234.db2.gz JEILVBADSUNFHC-UHFFFAOYSA-N 0 0 389.367 4.421 50 5 GIBARN Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 ZINC000000947366 212198690 /nfs/dbraw/zinc/19/86/90/212198690.db2.gz XWFZDAWVJCLUQZ-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN O=C(CC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000948453 212198460 /nfs/dbraw/zinc/19/84/60/212198460.db2.gz MAYOQFFIYYPGEI-UHFFFAOYSA-N 0 0 386.713 4.479 50 5 GIBARN CC(C)CCOC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000942140 212196462 /nfs/dbraw/zinc/19/64/62/212196462.db2.gz SNXOKKUAWLFRCK-IZZDOVSWSA-N 0 0 382.416 4.450 50 5 GIBARN CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000000856222 212189970 /nfs/dbraw/zinc/18/99/70/212189970.db2.gz LYRBSYVFHGVGJX-KRWDZBQOSA-N 0 0 388.221 4.055 50 5 GIBARN Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]3CCC1 ZINC000000846763 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GIBARN C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)[C@H]1C ZINC000003248200 220615911 /nfs/dbraw/zinc/61/59/11/220615911.db2.gz SQTWDHAUIDXVDK-MDZLAQPJSA-N 0 0 379.507 4.238 50 5 GIBARN COc1cc(OC)cc(C(=O)Nc2nc3ccccc3c3nc4ccccc4n32)c1 ZINC000004134706 220685429 /nfs/dbraw/zinc/68/54/29/220685429.db2.gz SJSAHGOJPGDMPL-UHFFFAOYSA-N 0 0 398.422 4.305 50 5 GIBARN Cc1cccc(C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)c1 ZINC000004175922 220690042 /nfs/dbraw/zinc/69/00/42/220690042.db2.gz FICWNABWURPJKU-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004305449 220703346 /nfs/dbraw/zinc/70/33/46/220703346.db2.gz LGBSKVOEQOVPES-LJQANCHMSA-N 0 0 393.468 4.190 50 5 GIBARN Cc1cc(C)c(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000004336303 220708497 /nfs/dbraw/zinc/70/84/97/220708497.db2.gz VZSVQFRJVKPHIZ-UHFFFAOYSA-N 0 0 395.381 4.381 50 5 GIBARN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)cc1Cl ZINC000004679183 220745826 /nfs/dbraw/zinc/74/58/26/220745826.db2.gz RWUXDAJKISJWIE-UHFFFAOYSA-N 0 0 388.207 4.168 50 5 GIBARN O=C(N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl)c1cccs1 ZINC000004696957 220749417 /nfs/dbraw/zinc/74/94/17/220749417.db2.gz UHWHTBIIOIPDJX-LBPRGKRZSA-N 0 0 394.667 4.195 50 5 GIBARN CC1CCN(c2c3ccccc3n(Cc3ccccc3)c(=O)c2[N+](=O)[O-])CC1 ZINC000004653778 220741233 /nfs/dbraw/zinc/74/12/33/220741233.db2.gz IVPVXSFILWUAFW-UHFFFAOYSA-N 0 0 377.444 4.194 50 5 GIBARN CC(=O)N1c2ccc([N+](=O)[O-])cc2[C@@](C)(c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000004729010 220754957 /nfs/dbraw/zinc/75/49/57/220754957.db2.gz KLBIXOJBCZEUBC-HXUWFJFHSA-N 0 0 383.404 4.344 50 5 GIBARN CCCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3ccc(C)cc3nc21 ZINC000005092221 220828499 /nfs/dbraw/zinc/82/84/99/220828499.db2.gz RXCQUJSWSXMPMV-UHFFFAOYSA-N 0 0 389.415 4.463 50 5 GIBARN COc1cccc(NC(=O)[C@@H](Oc2ccccc2[N+](=O)[O-])c2ccccc2)c1 ZINC000005869415 220904580 /nfs/dbraw/zinc/90/45/80/220904580.db2.gz PPCWLPPHRFKRQA-FQEVSTJZSA-N 0 0 378.384 4.362 50 5 GIBARN Cc1cc(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])cc1C ZINC000005792841 220899296 /nfs/dbraw/zinc/89/92/96/220899296.db2.gz RIMYAVBDWVSQLN-UHFFFAOYSA-N 0 0 397.214 4.314 50 5 GIBARN O=C(COc1ccccc1[N+](=O)[O-])NCCC(c1ccccc1)c1ccccc1 ZINC000006306437 220927148 /nfs/dbraw/zinc/92/71/48/220927148.db2.gz AIFGMKSQFBRLHM-UHFFFAOYSA-N 0 0 390.439 4.312 50 5 GIBARN Cn1nc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O ZINC000006397048 220933032 /nfs/dbraw/zinc/93/30/32/220933032.db2.gz SZWAHYFKOQNEIY-UHFFFAOYSA-N 0 0 378.432 4.253 50 5 GIBARN Cc1csc(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n1 ZINC000007195959 220989251 /nfs/dbraw/zinc/98/92/51/220989251.db2.gz CHRZHWIMLODPNT-MRVPVSSYSA-N 0 0 391.396 4.498 50 5 GIBARN Cc1cccc(-c2noc(CN(C(=O)c3cccc([N+](=O)[O-])c3C)C(C)C)n2)c1 ZINC000007759190 221009827 /nfs/dbraw/zinc/00/98/27/221009827.db2.gz WGCLAUMKMONDEW-UHFFFAOYSA-N 0 0 394.431 4.312 50 5 GIBARN CC[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(C)cc1 ZINC000008021415 221023607 /nfs/dbraw/zinc/02/36/07/221023607.db2.gz RICNWNOOYZHVMW-IBGZPJMESA-N 0 0 381.476 4.387 50 5 GIBARN O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc([N+](=O)[O-])cc1 ZINC000008000879 221023610 /nfs/dbraw/zinc/02/36/10/221023610.db2.gz BSPJFFUNSGZUJX-LJQANCHMSA-N 0 0 399.497 4.304 50 5 GIBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000008062670 221025202 /nfs/dbraw/zinc/02/52/02/221025202.db2.gz REPBGADAUKIUPS-ZDUSSCGKSA-N 0 0 380.853 4.131 50 5 GIBARN COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000008115194 221027356 /nfs/dbraw/zinc/02/73/56/221027356.db2.gz FMOVMYRNLDSDNN-HXUWFJFHSA-N 0 0 394.452 4.453 50 5 GIBARN O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000008106083 221027558 /nfs/dbraw/zinc/02/75/58/221027558.db2.gz KSQGFXHQNLUSKW-OAHLLOKOSA-N 0 0 381.457 4.153 50 5 GIBARN O=C(CNc1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000008211251 221031362 /nfs/dbraw/zinc/03/13/62/221031362.db2.gz HPVJYUJRRDDGQW-UHFFFAOYSA-N 0 0 375.428 4.236 50 5 GIBARN COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)N2CCC(C)CC2)cc1 ZINC000008313473 221035598 /nfs/dbraw/zinc/03/55/98/221035598.db2.gz JHZQZKGFBNFVRS-INIZCTEOSA-N 0 0 398.459 4.296 50 5 GIBARN Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000008916131 221062513 /nfs/dbraw/zinc/06/25/13/221062513.db2.gz NKFXWURBAPDVIL-UHFFFAOYSA-N 0 0 386.429 4.166 50 5 GIBARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000008706935 221050480 /nfs/dbraw/zinc/05/04/80/221050480.db2.gz JSVNOXLFLJNWBI-ZDUSSCGKSA-N 0 0 394.456 4.108 50 5 GIBARN Cc1cccc(C(=O)Nc2nnc(C[C@@H](C)c3ccccc3)s2)c1[N+](=O)[O-] ZINC000009196896 221073504 /nfs/dbraw/zinc/07/35/04/221073504.db2.gz SVBYPQCUPNXUMS-CYBMUJFWSA-N 0 0 382.445 4.353 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000009497114 221083195 /nfs/dbraw/zinc/08/31/95/221083195.db2.gz VRGJHPIHQACZJG-NRFANRHFSA-N 0 0 376.412 4.074 50 5 GIBARN Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000010423872 221102572 /nfs/dbraw/zinc/10/25/72/221102572.db2.gz OYFNPANRQHZMQC-UHFFFAOYSA-N 0 0 388.836 4.385 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000010903118 221108769 /nfs/dbraw/zinc/10/87/69/221108769.db2.gz SLBUUBRILNUIJI-CYBMUJFWSA-N 0 0 395.242 4.111 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1-c1ccccc1 ZINC000011618765 221118223 /nfs/dbraw/zinc/11/82/23/221118223.db2.gz FSMMWWNRUZRWCW-UHFFFAOYSA-N 0 0 377.400 4.321 50 5 GIBARN O=[N+]([O-])c1ccc2c(c1)nc(CSc1ncccn1)n2-c1ccc(F)cc1 ZINC000012529775 221202810 /nfs/dbraw/zinc/20/28/10/221202810.db2.gz HYPOQWLSPLOLHX-UHFFFAOYSA-N 0 0 381.392 4.155 50 5 GIBARN C[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000012551775 221204569 /nfs/dbraw/zinc/20/45/69/221204569.db2.gz SLPSDQDUFNBSGJ-MRXNPFEDSA-N 0 0 382.464 4.270 50 5 GIBARN CN(Cc1cccc(Cl)c1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000012553694 221206219 /nfs/dbraw/zinc/20/62/19/221206219.db2.gz BRYOYOKQNSDUJV-UHFFFAOYSA-N 0 0 387.867 4.123 50 5 GIBARN Cc1ccc(OCCN(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000012557879 221207250 /nfs/dbraw/zinc/20/72/50/221207250.db2.gz UBIQLPUALYUSFC-UHFFFAOYSA-N 0 0 397.475 4.045 50 5 GIBARN Cc1c(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)cccc1[N+](=O)[O-] ZINC000012806640 221235200 /nfs/dbraw/zinc/23/52/00/221235200.db2.gz KCGJMFYANUBRJZ-UHFFFAOYSA-N 0 0 379.420 4.359 50 5 GIBARN CN(Cc1ccc(C(F)(F)F)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000012921424 221246873 /nfs/dbraw/zinc/24/68/73/221246873.db2.gz JVVQYQGWKJLAOL-UHFFFAOYSA-N 0 0 382.338 4.112 50 5 GIBARN O=C(Nc1cc(Cl)ccc1F)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000013961526 221294479 /nfs/dbraw/zinc/29/44/79/221294479.db2.gz BCSRRYJABNHOEA-UHFFFAOYSA-N 0 0 377.803 4.242 50 5 GIBARN Cc1ccsc1[C@@H]1CCCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000015866771 221350071 /nfs/dbraw/zinc/35/00/71/221350071.db2.gz PCAILHMYSKFTSB-INIZCTEOSA-N 0 0 380.491 4.271 50 5 GIBARN CCn1c(CNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nc2ccccc21 ZINC000016695606 221369026 /nfs/dbraw/zinc/36/90/26/221369026.db2.gz WIULDSRQUCZESF-UHFFFAOYSA-N 0 0 390.399 4.154 50 5 GIBARN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1cccc(Cl)c1 ZINC000017056605 221376541 /nfs/dbraw/zinc/37/65/41/221376541.db2.gz PLFITJFHYBVFBG-UHFFFAOYSA-N 0 0 375.797 4.411 50 5 GIBARN Cc1ccc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c([N+](=O)[O-])c1 ZINC000017078614 221377839 /nfs/dbraw/zinc/37/78/39/221377839.db2.gz MAQBPAVVGIOCAP-UHFFFAOYSA-N 0 0 384.770 4.207 50 5 GIBARN O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Cl)cc1 ZINC000095471163 136179455 /nfs/dbraw/zinc/17/94/55/136179455.db2.gz SAQVPJQWVCBWAC-UHFFFAOYSA-N 0 0 397.730 4.110 50 5 GIBARN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)Cc1ccccc1N1CCCCC1 ZINC000015103747 136201818 /nfs/dbraw/zinc/20/18/18/136201818.db2.gz RVPBQRRHSOOXEW-KRWDZBQOSA-N 0 0 396.491 4.044 50 5 GIBARN C[C@H](NC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12)c1ccccc1 ZINC000024479383 221615107 /nfs/dbraw/zinc/61/51/07/221615107.db2.gz PBUSDTBIYYQWGU-ZRCAFCQKSA-N 0 0 379.460 4.003 50 5 GIBARN CCOC(=O)c1c(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)sc(C)c1CC ZINC000033333696 221790109 /nfs/dbraw/zinc/79/01/09/221790109.db2.gz OJZGYIBQSMZCOW-KTKRTIGZSA-N 0 0 388.445 4.356 50 5 GIBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000054783637 222014370 /nfs/dbraw/zinc/01/43/70/222014370.db2.gz ZMZBODHHSNLEEZ-UGSOOPFHSA-N 0 0 387.411 4.350 50 5 GIBARN CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc([N+](=O)[O-])c1)NC2 ZINC000055211422 222018354 /nfs/dbraw/zinc/01/83/54/222018354.db2.gz YWWYSTOSFIJSSX-JOCHJYFZSA-N 0 0 393.443 4.376 50 5 GIBARN COc1ccc(-c2csc(CCNC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000058014870 222037205 /nfs/dbraw/zinc/03/72/05/222037205.db2.gz DAKVQARJUACFAS-UHFFFAOYSA-N 0 0 398.444 4.091 50 5 GIBARN COc1ccc(C(=O)N(CCc2ccccc2)c2ccccc2)cc1[N+](=O)[O-] ZINC000062582300 222066092 /nfs/dbraw/zinc/06/60/92/222066092.db2.gz 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C[C@]12C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 ZINC000004872315 570351899 /nfs/dbraw/zinc/35/18/99/570351899.db2.gz RAGATRMNHXRQMA-NFBKMPQASA-N 0 0 398.418 4.090 50 5 GIBARN Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c([N+](=O)[O-])n1 ZINC000004891969 570357540 /nfs/dbraw/zinc/35/75/40/570357540.db2.gz FQLIJXVRHUCGLX-HNNXBMFYSA-N 0 0 377.400 4.371 50 5 GIBARN O=C1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c2cc3c(cc2N1)OCO3 ZINC000004912354 570363612 /nfs/dbraw/zinc/36/36/12/570363612.db2.gz ONJPBTYMAUAOSL-AWEZNQCLSA-N 0 0 378.340 4.058 50 5 GIBARN Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)Cc1ccccc1 ZINC000004978170 570386136 /nfs/dbraw/zinc/38/61/36/570386136.db2.gz IDPQWOHAVHTBLF-UHFFFAOYSA-N 0 0 389.411 4.337 50 5 GIBARN O=C(Nc1cccc(Cl)c1)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000004983369 570388880 /nfs/dbraw/zinc/38/88/80/570388880.db2.gz HFKOVQXZFGUXMP-HNNXBMFYSA-N 0 0 375.812 4.091 50 5 GIBARN COc1cccc2ccc(/C=C/c3cc(OC)c(OC(C)=O)c([N+](=O)[O-])c3)nc21 ZINC000004998372 570391358 /nfs/dbraw/zinc/39/13/58/570391358.db2.gz SOQBVJHECRAKQM-VQHVLOKHSA-N 0 0 394.383 4.256 50 5 GIBARN O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000005024147 570398846 /nfs/dbraw/zinc/39/88/46/570398846.db2.gz HZTMZPLUTHKGDZ-HSZRJFAPSA-N 0 0 398.418 4.235 50 5 GIBARN Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccco2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005080137 570413497 /nfs/dbraw/zinc/41/34/97/570413497.db2.gz VGPLQQFOSDGQEX-SFHVURJKSA-N 0 0 380.356 4.033 50 5 GIBARN Cc1c2ccccc2oc1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000005092466 570415520 /nfs/dbraw/zinc/41/55/20/570415520.db2.gz ZDDLSRINZDZBIA-UHFFFAOYSA-N 0 0 399.834 4.265 50 5 GIBARN O=C(Nc1ccc(Cl)cc1Cl)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000000845976 570467573 /nfs/dbraw/zinc/46/75/73/570467573.db2.gz QGADKQHDTQKBRG-UHFFFAOYSA-N 0 0 379.155 4.260 50 5 GIBARN O=C(CNc1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Br ZINC000006600346 570490042 /nfs/dbraw/zinc/49/00/42/570490042.db2.gz GEDKXPVSEUUTBS-UHFFFAOYSA-N 0 0 384.617 4.061 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2c(c3ccccc3n2CC2CC2)C1 ZINC000035972985 570490555 /nfs/dbraw/zinc/49/05/55/570490555.db2.gz IXBVPDCHFREUQN-UHFFFAOYSA-N 0 0 375.428 4.158 50 5 GIBARN CCc1nc2c(c3nc4ccccc4n31)c(=O)c(C)nn2-c1ccc(Cl)cc1 ZINC000005206974 570506497 /nfs/dbraw/zinc/50/64/97/570506497.db2.gz UZFKSRZWBSWXFK-UHFFFAOYSA-N 0 0 389.846 4.106 50 5 GIBARN CC[C@@H](C)n1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O ZINC000005219791 570514324 /nfs/dbraw/zinc/51/43/24/570514324.db2.gz USINAIXLXQPXMV-CYBMUJFWSA-N 0 0 387.418 4.394 50 5 GIBARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SC[C@H]1CCCO1 ZINC000005269192 570544714 /nfs/dbraw/zinc/54/47/14/570544714.db2.gz NAQSIOLQNWRQNL-CQSZACIVSA-N 0 0 385.445 4.213 50 5 GIBARN COc1ccccc1C1CCN(c2ccc(C3OCCO3)cc2[N+](=O)[O-])CC1 ZINC000004336181 570574744 /nfs/dbraw/zinc/57/47/44/570574744.db2.gz XSYIJUFUEOQHCJ-UHFFFAOYSA-N 0 0 384.432 4.033 50 5 GIBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000036347292 570629295 /nfs/dbraw/zinc/62/92/95/570629295.db2.gz RGXQGDLPXPWSLV-OAQYLSRUSA-N 0 0 392.415 4.300 50 5 GIBARN CCOC(=O)N1N=C2c3ccc(OC)cc3CC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000006872055 570663626 /nfs/dbraw/zinc/66/36/26/570663626.db2.gz AWBMKRHIWOVOHG-QUCCMNQESA-N 0 0 395.415 4.083 50 5 GIBARN CCCOc1cccc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000005597646 570665585 /nfs/dbraw/zinc/66/55/85/570665585.db2.gz JGFLBQIUUOCDRO-UHFFFAOYSA-N 0 0 393.852 4.164 50 5 GIBARN O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000004619231 570666734 /nfs/dbraw/zinc/66/67/34/570666734.db2.gz CMZYESJIAAHVHE-UHFFFAOYSA-N 0 0 387.745 4.109 50 5 GIBARN COc1ccccc1Nc1cc(N2CCCCCC2)c2nonc2c1[N+](=O)[O-] ZINC000004622072 570678877 /nfs/dbraw/zinc/67/88/77/570678877.db2.gz DISAVKWDMSXUNG-UHFFFAOYSA-N 0 0 383.408 4.264 50 5 GIBARN O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000004629086 570684472 /nfs/dbraw/zinc/68/44/72/570684472.db2.gz GNIWVFKKHNFQLJ-UHFFFAOYSA-N 0 0 387.439 4.224 50 5 GIBARN CCOc1ccc(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000004372129 570724056 /nfs/dbraw/zinc/72/40/56/570724056.db2.gz CJRFSOSIYOFRAO-UHFFFAOYSA-N 0 0 390.339 4.031 50 5 GIBARN COc1cccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 ZINC000004419913 570745538 /nfs/dbraw/zinc/74/55/38/570745538.db2.gz KWSHBSPBYZXYJI-SDNWHVSQSA-N 0 0 399.406 4.473 50 5 GIBARN COc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1 ZINC000004419835 570745712 /nfs/dbraw/zinc/74/57/12/570745712.db2.gz UIYVTNQCWVNVJZ-NTEUORMPSA-N 0 0 399.406 4.473 50 5 GIBARN COC(=O)c1ccc(OCc2nc3ccccc3c(C)c2Cl)c([N+](=O)[O-])c1 ZINC000007130686 570800533 /nfs/dbraw/zinc/80/05/33/570800533.db2.gz JPPIDOZFTDMEAM-UHFFFAOYSA-N 0 0 386.791 4.470 50 5 GIBARN COc1cccc(-c2cc(CN(C(=O)c3cccc([N+](=O)[O-])c3)C(C)C)no2)c1 ZINC000034922190 570809564 /nfs/dbraw/zinc/80/95/64/570809564.db2.gz ZXVYOFVXMFQBNQ-UHFFFAOYSA-N 0 0 395.415 4.309 50 5 GIBARN COc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccccc1Cl ZINC000004660012 570810155 /nfs/dbraw/zinc/81/01/55/570810155.db2.gz YUFOPTWIWWPDFU-UHFFFAOYSA-N 0 0 392.842 4.455 50 5 GIBARN CCOC(=O)c1cc(C(=O)N(Cc2ccccc2)[C@H](C)CC)cc([N+](=O)[O-])c1 ZINC000036773946 570812216 /nfs/dbraw/zinc/81/22/16/570812216.db2.gz GRAQOHBZLXTTLB-OAHLLOKOSA-N 0 0 384.432 4.212 50 5 GIBARN COc1ccc(C2=N/C(=C\c3cccc(Cl)c3Cl)C(=O)O2)cc1[N+](=O)[O-] ZINC000004509413 570824211 /nfs/dbraw/zinc/82/42/11/570824211.db2.gz YFZLIUCNZUBJBH-GHXNOFRVSA-N 0 0 393.182 4.255 50 5 GIBARN CN(Cc1ccccc1)c1cc2c(cc1[N+](=O)[O-])C(=O)N(c1ccccc1)C2=O ZINC000004686359 570830657 /nfs/dbraw/zinc/83/06/57/570830657.db2.gz LICWJCOQCROPCG-UHFFFAOYSA-N 0 0 387.395 4.032 50 5 GIBARN CCCCCCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCCC2)n1 ZINC000004684946 570830799 /nfs/dbraw/zinc/83/07/99/570830799.db2.gz CLNDBQOFJPSMCX-UHFFFAOYSA-N 0 0 385.472 4.116 50 5 GIBARN CCc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)c(Br)c1 ZINC000004691546 570836175 /nfs/dbraw/zinc/83/61/75/570836175.db2.gz BZANYDOIDYCMHP-UHFFFAOYSA-N 0 0 393.237 4.246 50 5 GIBARN Cc1c(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000007389652 570836659 /nfs/dbraw/zinc/83/66/59/570836659.db2.gz UQGVMYRWOPUOCB-UHFFFAOYSA-N 0 0 388.383 4.036 50 5 GIBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O ZINC000004540052 570851521 /nfs/dbraw/zinc/85/15/21/570851521.db2.gz KXGRZYNSSMOFTO-HXUWFJFHSA-N 0 0 388.379 4.301 50 5 GIBARN Cc1ccc(Cl)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1Cl ZINC000170596538 570854757 /nfs/dbraw/zinc/85/47/57/570854757.db2.gz YFYGXMQDAKSYIB-UHFFFAOYSA-N 0 0 375.233 4.319 50 5 GIBARN Cc1ccc(CNc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])cc1 ZINC000102782120 570863148 /nfs/dbraw/zinc/86/31/48/570863148.db2.gz QKFPZJUOXPEDBT-ROUUACIJSA-N 0 0 393.443 4.195 50 5 GIBARN CCOc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000004740012 570904801 /nfs/dbraw/zinc/90/48/01/570904801.db2.gz HXUGMKZYNNQLCR-UHFFFAOYSA-N 0 0 389.458 4.334 50 5 GIBARN CCCOc1ccc(/C=C/c2ccnc(-c3cccc([N+](=O)[O-])c3)[n+]2[O-])cc1 ZINC000032912832 570910663 /nfs/dbraw/zinc/91/06/63/570910663.db2.gz PKIFKAGVPLZVFX-RMKNXTFCSA-N 0 0 377.400 4.249 50 5 GIBARN C[C@H](OC(=O)CCC1CCCCC1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000032910062 570912809 /nfs/dbraw/zinc/91/28/09/570912809.db2.gz METGMGSVWSPFAI-LBPRGKRZSA-N 0 0 382.844 4.479 50 5 GIBARN Cc1c(C(=O)Nc2c3c(nn2-c2ccccc2)CSC3)cccc1[N+](=O)[O-] ZINC000004079142 570930257 /nfs/dbraw/zinc/93/02/57/570930257.db2.gz LASQHCZCHPZSCU-UHFFFAOYSA-N 0 0 380.429 4.088 50 5 GIBARN Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)c([N+](=O)[O-])c1 ZINC000004755270 570963607 /nfs/dbraw/zinc/96/36/07/570963607.db2.gz JCWCLFKTMIMQDB-UHFFFAOYSA-N 0 0 399.628 4.337 50 5 GIBARN O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)[nH]1 ZINC000004770773 570975411 /nfs/dbraw/zinc/97/54/11/570975411.db2.gz FAPQAPJTAFEEKQ-GORDUTHDSA-N 0 0 394.170 4.121 50 5 GIBARN COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cccs1 ZINC000004778442 570975432 /nfs/dbraw/zinc/97/54/32/570975432.db2.gz KFBAXILTTRFTJE-UHFFFAOYSA-N 0 0 397.412 4.170 50 5 GIBARN O=C(NCc1ccccc1)c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F ZINC000001399845 570980526 /nfs/dbraw/zinc/98/05/26/570980526.db2.gz JFSRTXPBDNHDLT-UHFFFAOYSA-N 0 0 398.340 4.290 50 5 GIBARN Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])O[C@]1(C=C2)N(C)c2ccccc2C1(C)C ZINC000004794693 570993322 /nfs/dbraw/zinc/99/33/22/570993322.db2.gz HKZRPKOJLOYIPK-FQEVSTJZSA-N 0 0 381.388 4.341 50 5 GIBARN Cn1c2ccccc2c(=O)c(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000002217263 817379902 /nfs/dbraw/zinc/37/99/02/817379902.db2.gz OALPXXOTVBRHQJ-UHFFFAOYSA-N 0 0 399.406 4.366 50 5 GIBARN Cc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2C2CCCC2)cc1 ZINC000002230499 817380465 /nfs/dbraw/zinc/38/04/65/817380465.db2.gz WTMMBMINBCQKJY-UHFFFAOYSA-N 0 0 385.467 4.339 50 5 GIBARN O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2c2c1CCCC2 ZINC000002267662 817382363 /nfs/dbraw/zinc/38/23/63/817382363.db2.gz NOIGSKFFWGWUDO-UHFFFAOYSA-N 0 0 382.328 4.281 50 5 GIBARN CC1(C)Cc2nc3sc(C(=O)c4ccc([N+](=O)[O-])cc4)c(N)c3cc2C(=O)C1 ZINC000002312325 817384036 /nfs/dbraw/zinc/38/40/36/817384036.db2.gz RWUNUJVPKBLNBE-UHFFFAOYSA-N 0 0 395.440 4.173 50 5 GIBARN CCn1nc(NC(=O)c2cccc([N+](=O)[O-])c2)c2cc3cc(C)ccc3nc21 ZINC000002453755 817389958 /nfs/dbraw/zinc/38/99/58/817389958.db2.gz VWVNVGCYRQXVDQ-UHFFFAOYSA-N 0 0 375.388 4.073 50 5 GIBARN CC(C)(C)c1c2c(nn1-c1ccc([N+](=O)[O-])cc1)-c1ccc([N+](=O)[O-])cc1C2=O ZINC000002562001 817391968 /nfs/dbraw/zinc/39/19/68/817391968.db2.gz RXTGVVMQIVKLCP-UHFFFAOYSA-N 0 0 392.371 4.198 50 5 GIBARN COc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1C(=O)NC(C)=O ZINC000002759338 817399316 /nfs/dbraw/zinc/39/93/16/817399316.db2.gz DPGQSRKSIUHNLD-BZZOAKBMSA-N 0 0 386.407 4.103 50 5 GIBARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000002850355 817403267 /nfs/dbraw/zinc/40/32/67/817403267.db2.gz VFBUBWXGCBLCDK-VIFPVBQESA-N 0 0 385.203 4.316 50 5 GIBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000002846491 817403553 /nfs/dbraw/zinc/40/35/53/817403553.db2.gz GSRMRPSHSNFUSE-UHFFFAOYSA-N 0 0 385.383 4.095 50 5 GIBARN CCC(CC)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000002864883 817404280 /nfs/dbraw/zinc/40/42/80/817404280.db2.gz UPBSFPOQTSLUAK-UHFFFAOYSA-N 0 0 385.420 4.230 50 5 GIBARN CCCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002912002 817404783 /nfs/dbraw/zinc/40/47/83/817404783.db2.gz VBVVFCPMVVRRAI-QGZVFWFLSA-N 0 0 395.444 4.452 50 5 GIBARN CCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000002911051 817404841 /nfs/dbraw/zinc/40/48/41/817404841.db2.gz NHHZUEQQJBOAMN-HNNXBMFYSA-N 0 0 385.405 4.045 50 5 GIBARN Cc1c(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cccc1[N+](=O)[O-] ZINC000002979686 817410178 /nfs/dbraw/zinc/41/01/78/817410178.db2.gz UMKNQUCNHJEXCP-UHFFFAOYSA-N 0 0 375.384 4.408 50 5 GIBARN CCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1[N+](=O)[O-] ZINC000002998762 817410678 /nfs/dbraw/zinc/41/06/78/817410678.db2.gz UJIKTLZGGGIQKF-UHFFFAOYSA-N 0 0 379.210 4.317 50 5 GIBARN COCCCNC(=O)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000003020140 817411585 /nfs/dbraw/zinc/41/15/85/817411585.db2.gz PJDCKTPXALQWJV-UHFFFAOYSA-N 0 0 380.853 4.166 50 5 GIBARN COc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1[N+](=O)[O-] ZINC000003017632 817411669 /nfs/dbraw/zinc/41/16/69/817411669.db2.gz OEMJJKGSEKSIMY-UHFFFAOYSA-N 0 0 375.812 4.109 50 5 GIBARN Cc1cc(OC(=O)c2ccccc2)c(Sc2ccc([N+](=O)[O-])cc2)c(=O)o1 ZINC000003206263 817421827 /nfs/dbraw/zinc/42/18/27/817421827.db2.gz IYAZENCZLCYVKT-UHFFFAOYSA-N 0 0 383.381 4.227 50 5 GIBARN O=C1N(c2ccccc2)C(=O)N(c2ccccc2)[C@@]2(C[N+](=O)[O-])CCCCCN12 ZINC000003263761 817429516 /nfs/dbraw/zinc/42/95/16/817429516.db2.gz NWQUFUYOAUGLKC-OAQYLSRUSA-N 0 0 394.431 4.102 50 5 GIBARN O=C(Nc1ncnc2sc3c(c21)CCCC3)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004070963 817500655 /nfs/dbraw/zinc/50/06/55/817500655.db2.gz WTEFFRHXAUUVLW-UHFFFAOYSA-N 0 0 388.836 4.384 50 5 GIBARN CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)Cc1cccc2ccccc21 ZINC000004176839 817508791 /nfs/dbraw/zinc/50/87/91/817508791.db2.gz VSDWERLAGROJRO-UHFFFAOYSA-N 0 0 384.413 4.167 50 5 GIBARN COc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2OC)n1 ZINC000004255915 817514470 /nfs/dbraw/zinc/51/44/70/817514470.db2.gz WGOCNLUAWQONCG-UHFFFAOYSA-N 0 0 381.392 4.198 50 5 GIBARN CC(=O)Oc1c(C)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004256589 817514518 /nfs/dbraw/zinc/51/45/18/817514518.db2.gz SJBCEYUECWKTOR-UHFFFAOYSA-N 0 0 383.187 4.388 50 5 GIBARN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000020356934 818618993 /nfs/dbraw/zinc/61/89/93/818618993.db2.gz QTAPXRKIFKZWIH-UHFFFAOYSA-N 0 0 391.362 4.029 50 5 GIBARN O=[N+]([O-])c1cc(CN2CCOCC2)ccc1Sc1nc2ccccc2s1 ZINC000020365616 818619047 /nfs/dbraw/zinc/61/90/47/818619047.db2.gz FBXMDAVLCVDVDO-UHFFFAOYSA-N 0 0 387.486 4.188 50 5 GIBARN CC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)O[C@H]1c1cccc(Cl)c1Cl ZINC000021091542 818652112 /nfs/dbraw/zinc/65/21/12/818652112.db2.gz HXINYVWVTTZBAB-INIZCTEOSA-N 0 0 380.187 4.141 50 5 GIBARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000021899769 818753284 /nfs/dbraw/zinc/75/32/84/818753284.db2.gz ZRHMUJOLCFZYPA-QGZVFWFLSA-N 0 0 385.489 4.408 50 5 GIBARN O=c1c([N+](=O)[O-])c(Nc2ccc(SC3CCCC3)cc2)nc2ccccn21 ZINC000030521133 820630079 /nfs/dbraw/zinc/63/00/79/820630079.db2.gz MVEIYTQUOLEWHV-UHFFFAOYSA-N 0 0 382.445 4.381 50 5 GIBARN COc1cc([C@@H](C)NC(=O)c2cccc(C)c2[N+](=O)[O-])ccc1OCC(C)C ZINC000040087564 821134020 /nfs/dbraw/zinc/13/40/20/821134020.db2.gz LNIQYIQRUNVKJR-OAHLLOKOSA-N 0 0 386.448 4.438 50 5 GIBARN Cc1c(Cn2cnc3scc(-c4ccccc4)c3c2=O)cccc1[N+](=O)[O-] ZINC000040116919 821141250 /nfs/dbraw/zinc/14/12/50/821141250.db2.gz NQJABENGWYZLLR-UHFFFAOYSA-N 0 0 377.425 4.390 50 5 GIBARN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(-c2n[nH]c(C3CC3)n2)c1 ZINC000040150959 821150351 /nfs/dbraw/zinc/15/03/51/821150351.db2.gz VZBDWYRJDGQERU-UHFFFAOYSA-N 0 0 377.404 4.126 50 5 GIBARN COc1nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000225697196 222691144 /nfs/dbraw/zinc/69/11/44/222691144.db2.gz XGOLOILJHUAWEM-UHFFFAOYSA-N 0 0 398.444 4.066 50 5 GIBARN CCCCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001808233 212257033 /nfs/dbraw/zinc/25/70/33/212257033.db2.gz LBXSZFBRWAJILQ-UHFFFAOYSA-N 0 0 376.796 4.457 50 5 GIBARN O=C1OC(/C=C/c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cccc(Br)c1 ZINC000001507236 212248240 /nfs/dbraw/zinc/24/82/40/212248240.db2.gz NBFWNSPLKPDMAD-KCJIIOMUSA-N 0 0 399.200 4.367 50 5 GIBARN Cc1ccccc1Cn1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1=O ZINC000010187860 212237591 /nfs/dbraw/zinc/23/75/91/212237591.db2.gz CWBMEOBTNYPTOE-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001427498 212242955 /nfs/dbraw/zinc/24/29/55/212242955.db2.gz SZQTUDRPTPYPON-BOPFTXTBSA-N 0 0 378.315 4.338 50 5 GIBARN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccco1 ZINC000001217891 212230614 /nfs/dbraw/zinc/23/06/14/212230614.db2.gz SCIJBYDSJBQEJG-UHFFFAOYSA-N 0 0 395.371 4.009 50 5 GIBARN COc1cccc(C2=NN(C(=O)c3ccco3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 ZINC000009970818 212236529 /nfs/dbraw/zinc/23/65/29/212236529.db2.gz RZFMJLMBANXTHF-IBGZPJMESA-N 0 0 391.383 4.188 50 5 GIBARN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc([N+](=O)[O-])cc1 ZINC000001185986 212227265 /nfs/dbraw/zinc/22/72/65/212227265.db2.gz XQHSBYAWLKZJJZ-UHFFFAOYSA-N 0 0 389.436 4.293 50 5 GIBARN CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000001172338 212225520 /nfs/dbraw/zinc/22/55/20/212225520.db2.gz WAUDWZAGHDYRPO-UHFFFAOYSA-N 0 0 393.852 4.162 50 5 GIBARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000001123495 212220020 /nfs/dbraw/zinc/22/00/20/212220020.db2.gz FQILEXGIOPDEBI-UHFFFAOYSA-N 0 0 390.808 4.069 50 5 GIBARN CCn1c(Sc2ccc([N+](=O)[O-])cc2C=O)nnc1-c1cccc(Cl)c1 ZINC000001141506 212222254 /nfs/dbraw/zinc/22/22/54/212222254.db2.gz QHKPMWAKKDXAJW-UHFFFAOYSA-N 0 0 388.836 4.490 50 5 GIBARN O=C(CSCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc2ccccc2c1 ZINC000001107237 212217642 /nfs/dbraw/zinc/21/76/42/212217642.db2.gz VIPCZBHXEKFOPH-UHFFFAOYSA-N 0 0 380.425 4.303 50 5 GIBARN Cc1nc(-c2ccc3c(c2)CCO3)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000001046801 212209770 /nfs/dbraw/zinc/20/97/70/212209770.db2.gz VQVNPVLKNVZJES-UHFFFAOYSA-N 0 0 381.413 4.214 50 5 GIBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 ZINC000001002597 212204484 /nfs/dbraw/zinc/20/44/84/212204484.db2.gz ZVRSZLXXWILANL-UHFFFAOYSA-N 0 0 391.214 4.399 50 5 GIBARN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2 ZINC000000994691 212203177 /nfs/dbraw/zinc/20/31/77/212203177.db2.gz FPBJEGNBWBZXLD-UHFFFAOYSA-N 0 0 394.836 4.227 50 5 GIBARN COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)sc2c1CC[C@@H](C)C2 ZINC000000993966 212202417 /nfs/dbraw/zinc/20/24/17/212202417.db2.gz DYOORSZMAMVOMD-SNVBAGLBSA-N 0 0 388.445 4.128 50 5 GIBARN CCOC(=O)c1c(C)sc(Sc2ccccc2[N+](=O)[O-])c1OC(C)=O ZINC000000977899 212200760 /nfs/dbraw/zinc/20/07/60/212200760.db2.gz YZUMSFIJXRWVGD-UHFFFAOYSA-N 0 0 381.431 4.218 50 5 GIBARN Cc1cc(C)c(NC(=O)Cn2c(=O)c3ccccc3c3ccccc3c2=O)c(C)c1 ZINC000009319152 212181474 /nfs/dbraw/zinc/18/14/74/212181474.db2.gz QLXBPALWFAHLOP-UHFFFAOYSA-N 0 0 398.462 4.079 50 5 GIBARN O=c1c2ccccc2nc2nc(-c3ccccc3)cc(-c3ccc([N+](=O)[O-])cc3)n12 ZINC000000754922 212179524 /nfs/dbraw/zinc/17/95/24/212179524.db2.gz DLGWCHCLGDKPKK-UHFFFAOYSA-N 0 0 394.390 4.485 50 5 GIBARN Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000677959 212173727 /nfs/dbraw/zinc/17/37/27/212173727.db2.gz VCYDFRKCAAGOLJ-UHFFFAOYSA-N 0 0 380.385 4.420 50 5 GIBARN Cc1cccc([C@H]2N[C@@H](c3cccc(C)c3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])c1 ZINC000217543025 212112861 /nfs/dbraw/zinc/11/28/61/212112861.db2.gz OGCYJIVSWQMNJB-YRPNKDGESA-N 0 0 383.448 4.006 50 5 GIBARN O=C1OC(c2ccco2)=N/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000002741588 220558411 /nfs/dbraw/zinc/55/84/11/220558411.db2.gz ADOPDIFUYBYGIY-ATVHPVEESA-N 0 0 390.351 4.111 50 5 GIBARN CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000002761355 220562993 /nfs/dbraw/zinc/56/29/93/220562993.db2.gz KZWDUDGTQRZQAW-MRXNPFEDSA-N 0 0 398.337 4.332 50 5 GIBARN Cc1c(Cl)c([N+](=O)[O-])nn1Cc1ccc(C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000002764621 220563149 /nfs/dbraw/zinc/56/31/49/220563149.db2.gz DVHRZNYDWUISIL-UHFFFAOYSA-N 0 0 392.774 4.094 50 5 GIBARN Cc1nn(C(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1Sc1ccc([N+](=O)[O-])cc1 ZINC000002903356 220581460 /nfs/dbraw/zinc/58/14/60/220581460.db2.gz QDDDZWSBNXCECY-UHFFFAOYSA-N 0 0 398.400 4.156 50 5 GIBARN Cc1ccc(N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000003170690 220607134 /nfs/dbraw/zinc/60/71/34/220607134.db2.gz IHNMUAMDLLIFIE-UHFFFAOYSA-N 0 0 381.344 4.251 50 5 GIBARN NC(=O)c1oc2ccccc2c1NC(=O)c1cc2c(ccc3ccccc32)oc1=O ZINC000004135107 220684650 /nfs/dbraw/zinc/68/46/50/220684650.db2.gz HNFSKKADCADOSC-UHFFFAOYSA-N 0 0 398.374 4.044 50 5 GIBARN COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000004195989 220693677 /nfs/dbraw/zinc/69/36/77/220693677.db2.gz JUVJRFBTGBOWJE-UHFFFAOYSA-N 0 0 392.411 4.131 50 5 GIBARN Cc1cccc(Cn2cccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2=O)c1 ZINC000005269788 220853443 /nfs/dbraw/zinc/85/34/43/220853443.db2.gz NCNWOENJVBAYKI-UHFFFAOYSA-N 0 0 397.818 4.019 50 5 GIBARN CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccc3ccccc3c12 ZINC000005592850 220884995 /nfs/dbraw/zinc/88/49/95/220884995.db2.gz ZHVSKBLNGJNHIU-UHFFFAOYSA-N 0 0 388.379 4.408 50 5 GIBARN CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000005610908 220886860 /nfs/dbraw/zinc/88/68/60/220886860.db2.gz PHMSVVFEQIMVJK-UHFFFAOYSA-N 0 0 390.823 4.412 50 5 GIBARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1n[nH]cc1[N+](=O)[O-] ZINC000006448021 220934662 /nfs/dbraw/zinc/93/46/62/220934662.db2.gz UKJRERQCXVBFAQ-UHFFFAOYSA-N 0 0 384.204 4.001 50 5 GIBARN C[C@@H]1CCc2sc(-c3nnc(-c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)o3)cc2C1 ZINC000006560589 220942100 /nfs/dbraw/zinc/94/21/00/220942100.db2.gz LAAHHYOHZUEOLA-SECBINFHSA-N 0 0 386.389 4.406 50 5 GIBARN O=[N+]([O-])c1cc(C2SCCS2)ccc1N1CCN(c2ccccc2)CC1 ZINC000006584835 220944001 /nfs/dbraw/zinc/94/40/01/220944001.db2.gz GVVLIVQWWDUKDF-UHFFFAOYSA-N 0 0 387.530 4.400 50 5 GIBARN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1ccc(Br)cc1 ZINC000006875466 220972685 /nfs/dbraw/zinc/97/26/85/220972685.db2.gz WHJSLNACARKDKH-XFXZXTDPSA-N 0 0 398.216 4.012 50 5 GIBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000007668530 221004589 /nfs/dbraw/zinc/00/45/89/221004589.db2.gz VNNYBQKJOLOHTA-UHFFFAOYSA-N 0 0 378.384 4.435 50 5 GIBARN Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000008009549 221023377 /nfs/dbraw/zinc/02/33/77/221023377.db2.gz PENHKOAFWKUQRT-BUHFOSPRSA-N 0 0 390.443 4.069 50 5 GIBARN CC(=O)c1ccc(N(C)CC(=O)Nc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000008052726 221025025 /nfs/dbraw/zinc/02/50/25/221025025.db2.gz ZNBBCEUMOCBALO-UHFFFAOYSA-N 0 0 377.400 4.026 50 5 GIBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2c(c1)OCO2 ZINC000007889572 221015724 /nfs/dbraw/zinc/01/57/24/221015724.db2.gz KFSRAGVGPJCBJL-HXUWFJFHSA-N 0 0 389.367 4.095 50 5 GIBARN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1Cl ZINC000009252439 221075760 /nfs/dbraw/zinc/07/57/60/221075760.db2.gz MFCZWOFOXNBRNU-UHFFFAOYSA-N 0 0 385.601 4.028 50 5 GIBARN CN(Cc1nc2ccccc2s1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000009891591 221093414 /nfs/dbraw/zinc/09/34/14/221093414.db2.gz OLFAJDVGASQHIP-UHFFFAOYSA-N 0 0 396.472 4.077 50 5 GIBARN Cc1c(NCC(=O)N[C@@H](c2cccs2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000011259971 221113466 /nfs/dbraw/zinc/11/34/66/221113466.db2.gz GGDDANUGDGHYSH-HXUWFJFHSA-N 0 0 381.457 4.282 50 5 GIBARN CC(C)n1ncc2c1nc(-c1ccco1)cc2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000011227641 221113503 /nfs/dbraw/zinc/11/35/03/221113503.db2.gz UCVILHIGIIQVBP-UHFFFAOYSA-N 0 0 391.387 4.433 50 5 GIBARN Cc1cccc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c1[N+](=O)[O-] ZINC000011647625 221118405 /nfs/dbraw/zinc/11/84/05/221118405.db2.gz GFVZPHBSXPTAJP-UHFFFAOYSA-N 0 0 382.445 4.365 50 5 GIBARN Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c([N+](=O)[O-])c1 ZINC000011620772 221118981 /nfs/dbraw/zinc/11/89/81/221118981.db2.gz IGLKYKFQSITSQE-UHFFFAOYSA-N 0 0 388.855 4.207 50 5 GIBARN Cc1ccc2c(c1)CCCN2C(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012522622 221201983 /nfs/dbraw/zinc/20/19/83/221201983.db2.gz AWLCKFMKEMVFLK-UHFFFAOYSA-N 0 0 382.463 4.443 50 5 GIBARN CCC[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012554320 221205495 /nfs/dbraw/zinc/20/54/95/221205495.db2.gz GNKOFCZRWVSKGZ-LJQANCHMSA-N 0 0 381.476 4.469 50 5 GIBARN CC1CCN(c2ccc(C(=O)N3CCC[C@@H]3c3cccnc3)cc2[N+](=O)[O-])CC1 ZINC000012645214 221216837 /nfs/dbraw/zinc/21/68/37/221216837.db2.gz AKQOUSDDGCFHRQ-LJQANCHMSA-N 0 0 394.475 4.203 50 5 GIBARN Cc1c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000012866321 221239945 /nfs/dbraw/zinc/23/99/45/221239945.db2.gz HRMYZGSVSMICEL-ZDUSSCGKSA-N 0 0 384.461 4.144 50 5 GIBARN CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000012877140 221240178 /nfs/dbraw/zinc/24/01/78/221240178.db2.gz YYYCUZVZYGBSHO-UHFFFAOYSA-N 0 0 375.812 4.485 50 5 GIBARN Cc1ccc(OCc2nc(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)cs2)cc1 ZINC000012927667 221246817 /nfs/dbraw/zinc/24/68/17/221246817.db2.gz QWIFXJXWVSTMEJ-UHFFFAOYSA-N 0 0 397.456 4.428 50 5 GIBARN Cc1nc(-c2ccc(CCNC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000012980755 221251866 /nfs/dbraw/zinc/25/18/66/221251866.db2.gz YLAJBGRXYWYDHJ-UHFFFAOYSA-N 0 0 381.457 4.308 50 5 GIBARN O=C(COC(=O)c1ccc([N+](=O)[O-])o1)c1c2ccccc2[nH]c1-c1ccccc1 ZINC000012980322 221251978 /nfs/dbraw/zinc/25/19/78/221251978.db2.gz BMWWPBMXRZVADY-UHFFFAOYSA-N 0 0 390.351 4.376 50 5 GIBARN Cc1ccc(OCc2nc(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)cs2)cc1 ZINC000012979199 221252214 /nfs/dbraw/zinc/25/22/14/221252214.db2.gz UFPCEESENRKCQQ-UHFFFAOYSA-N 0 0 397.456 4.428 50 5 GIBARN COc1ccc([C@H]2CCCCCN2CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000012998746 221255579 /nfs/dbraw/zinc/25/55/79/221255579.db2.gz YNQPOJLTDVTUBO-OAQYLSRUSA-N 0 0 397.475 4.468 50 5 GIBARN Cc1nn(Cc2ccc(C)cc2)c(C)c1NC(=O)c1noc(C(C)C)c1[N+](=O)[O-] ZINC000013366541 221266940 /nfs/dbraw/zinc/26/69/40/221266940.db2.gz QPYOVIGUYYFZQP-UHFFFAOYSA-N 0 0 397.435 4.129 50 5 GIBARN CN(Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(c1ccccc1)c1ccccc1 ZINC000013008219 221256971 /nfs/dbraw/zinc/25/69/71/221256971.db2.gz RFJISACIXVVRKW-UHFFFAOYSA-N 0 0 389.411 4.182 50 5 GIBARN COc1ccc2c(c1)c1nc3cc(C)c(C)cc3nc1n2CCC1OCCO1 ZINC000013687028 221280990 /nfs/dbraw/zinc/28/09/90/221280990.db2.gz VHFAMJVDBFUJEZ-UHFFFAOYSA-N 0 0 377.444 4.126 50 5 GIBARN CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013751259 221287116 /nfs/dbraw/zinc/28/71/16/221287116.db2.gz IFXFUKLNNNMEKK-UHFFFAOYSA-N 0 0 393.443 4.187 50 5 GIBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1nc2ccccc2s1 ZINC000014084771 221298897 /nfs/dbraw/zinc/29/88/97/221298897.db2.gz SRKUIEPLBWZXOM-UHFFFAOYSA-N 0 0 389.864 4.449 50 5 GIBARN O=[N+]([O-])c1cccnc1Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000014314795 221307566 /nfs/dbraw/zinc/30/75/66/221307566.db2.gz FYDQOBXAEPOVNC-OAHLLOKOSA-N 0 0 382.445 4.184 50 5 GIBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1nn(-c2ccc(F)cc2)c2c1CCCC2 ZINC000014709564 221314737 /nfs/dbraw/zinc/31/47/37/221314737.db2.gz LUMCUCHDYQELGY-UHFFFAOYSA-N 0 0 395.390 4.155 50 5 GIBARN CN(Cc1ccccc1N1CCOCC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015140852 221334049 /nfs/dbraw/zinc/33/40/49/221334049.db2.gz OLBZCJJUSNNUMO-UHFFFAOYSA-N 0 0 395.381 4.087 50 5 GIBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3cc(F)ccc3F)cc2[N+](=O)[O-])C1 ZINC000015005495 221326667 /nfs/dbraw/zinc/32/66/67/221326667.db2.gz BCYYKFNAAXEHTL-LBPRGKRZSA-N 0 0 375.375 4.362 50 5 GIBARN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)c1cnccn1 ZINC000016401673 221362175 /nfs/dbraw/zinc/36/21/75/221362175.db2.gz KAHRKBDORWXGPW-UHFFFAOYSA-N 0 0 385.763 4.188 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 ZINC000025558334 221631498 /nfs/dbraw/zinc/63/14/98/221631498.db2.gz JWXUQRHGKNCBNX-REWPJTCUSA-N 0 0 399.406 4.347 50 5 GIBARN O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(-c2cc[nH]n2)cc1 ZINC000029279972 221691605 /nfs/dbraw/zinc/69/16/05/221691605.db2.gz KONMUUQYOHYFKH-UHFFFAOYSA-N 0 0 394.434 4.184 50 5 GIBARN COc1ccc(C(C)(C)C)cc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000031488078 221709741 /nfs/dbraw/zinc/70/97/41/221709741.db2.gz QXIQJQLWXASHRE-UHFFFAOYSA-N 0 0 394.431 4.339 50 5 GIBARN O=C(NCc1ccccc1COCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000032925101 221751864 /nfs/dbraw/zinc/75/18/64/221751864.db2.gz FJGRSCVODDPMRJ-UHFFFAOYSA-N 0 0 376.412 4.242 50 5 GIBARN O=[N+]([O-])c1cccc(OCCSc2n[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000059124007 222056258 /nfs/dbraw/zinc/05/62/58/222056258.db2.gz QUUIUPKZXSBFTQ-UHFFFAOYSA-N 0 0 376.825 4.204 50 5 GIBARN CCCN(CC1CC1)c1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000102784733 222485676 /nfs/dbraw/zinc/48/56/76/222485676.db2.gz LVKSKLUXEFCFLL-QGTPRVQTSA-N 0 0 399.491 4.147 50 5 GIBARN O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(Br)cc1Cl ZINC000047721783 570214460 /nfs/dbraw/zinc/21/44/60/570214460.db2.gz VOZYQUNXHABBJT-UHFFFAOYSA-N 0 0 384.617 4.332 50 5 GIBARN O=[N+]([O-])c1ccc(NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000048289825 570228915 /nfs/dbraw/zinc/22/89/15/570228915.db2.gz XZRQFMDSJRRRRK-UHFFFAOYSA-N 0 0 380.370 4.085 50 5 GIBARN O=C(NC[C@H]1Cc2cc(Oc3ccccc3)ccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000023306358 570229271 /nfs/dbraw/zinc/22/92/71/570229271.db2.gz KGUFOVFFBXRWIE-HXUWFJFHSA-N 0 0 390.395 4.121 50 5 GIBARN CNc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000004821347 570261563 /nfs/dbraw/zinc/26/15/63/570261563.db2.gz PJZLCZMLIUGEGT-UHFFFAOYSA-N 0 0 383.379 4.211 50 5 GIBARN CSc1cc(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(C)=O ZINC000043242113 570292695 /nfs/dbraw/zinc/29/26/95/570292695.db2.gz CMGLRIHUEWCADZ-UHFFFAOYSA-N 0 0 394.836 4.190 50 5 GIBARN CCc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cc1 ZINC000006214814 570342718 /nfs/dbraw/zinc/34/27/18/570342718.db2.gz IWKRGKXENPLPKD-GFCCVEGCSA-N 0 0 397.460 4.062 50 5 GIBARN COc1cccc([C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)c2nccn2C)c1 ZINC000024059925 570344472 /nfs/dbraw/zinc/34/44/72/570344472.db2.gz PBANGGMWTSNSFV-IBGZPJMESA-N 0 0 389.415 4.087 50 5 GIBARN CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004895871 570357526 /nfs/dbraw/zinc/35/75/26/570357526.db2.gz CQXSLZZVDWLUCH-AWEZNQCLSA-N 0 0 396.447 4.042 50 5 GIBARN COc1ccc(CCN(C)c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1OC ZINC000006319933 570378409 /nfs/dbraw/zinc/37/84/09/570378409.db2.gz WTWVHUCXLNRGQR-UHFFFAOYSA-N 0 0 384.354 4.310 50 5 GIBARN Cc1c(C)c([N+](=O)[O-])ccc1NC(=O)c1cccc(I)c1 ZINC000004952906 570380699 /nfs/dbraw/zinc/38/06/99/570380699.db2.gz YROJCSZDTCAUFH-UHFFFAOYSA-N 0 0 396.184 4.069 50 5 GIBARN O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(I)cc2)cc1 ZINC000005041923 570404714 /nfs/dbraw/zinc/40/47/14/570404714.db2.gz HMGGVBQZEMYPBG-UHFFFAOYSA-N 0 0 399.213 4.008 50 5 GIBARN COc1ccccc1-n1c(/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc2c1=O ZINC000005068115 570410694 /nfs/dbraw/zinc/41/06/94/570410694.db2.gz ZZPBFUMULMNIMG-PFONDFGASA-N 0 0 399.406 4.473 50 5 GIBARN CSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1[N+](=O)[O-])Nc1ccccc1-2 ZINC000005127950 570420561 /nfs/dbraw/zinc/42/05/61/570420561.db2.gz UUUIWSHMMVFOQP-SIFUEBAJSA-N 0 0 393.428 4.013 50 5 GIBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1ccc(Br)cc1F ZINC000005136555 570422592 /nfs/dbraw/zinc/42/25/92/570422592.db2.gz GINSKCOQTGBIBS-UHFFFAOYSA-N 0 0 391.243 4.289 50 5 GIBARN CCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O ZINC000005157045 570438527 /nfs/dbraw/zinc/43/85/27/570438527.db2.gz UDMWDQYXXQSCPB-UHFFFAOYSA-N 0 0 399.454 4.011 50 5 GIBARN O=C(c1ccc([N+](=O)[O-])o1)N1CCC(Cc2ccc(-n3cccc3)cc2)CC1 ZINC000022655550 570451840 /nfs/dbraw/zinc/45/18/40/570451840.db2.gz OWTLPHLFTXUDGY-UHFFFAOYSA-N 0 0 379.416 4.073 50 5 GIBARN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CC=C(c2ccccc2)CC1 ZINC000006607598 570499045 /nfs/dbraw/zinc/49/90/45/570499045.db2.gz OSNJDPZESPXVCK-AWEZNQCLSA-N 0 0 385.851 4.365 50 5 GIBARN Cc1ccc2oc(C(=O)N3CC=C(c4cc(C)c(N)c([N+](=O)[O-])c4)CC3)cc2c1 ZINC000072297951 570504427 /nfs/dbraw/zinc/50/44/27/570504427.db2.gz ZICDBUBHRJWVFN-UHFFFAOYSA-N 0 0 391.427 4.470 50 5 GIBARN CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005384579 570574091 /nfs/dbraw/zinc/57/40/91/570574091.db2.gz GVJPMPLKRDLEQN-HXUWFJFHSA-N 0 0 399.472 4.020 50 5 GIBARN CC1(C)OC(=O)N(c2ccccc2)[C@]12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2 ZINC000005415684 570588075 /nfs/dbraw/zinc/58/80/75/570588075.db2.gz UKMDLFSPDCIEIP-IBGZPJMESA-N 0 0 397.343 4.040 50 5 GIBARN COc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)c([N+](=O)[O-])c1 ZINC000005526783 570625314 /nfs/dbraw/zinc/62/53/14/570625314.db2.gz CFDYJIXRPDFBLM-UHFFFAOYSA-N 0 0 376.368 4.480 50 5 GIBARN O=[N+]([O-])c1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])cc1 ZINC000036347772 570630507 /nfs/dbraw/zinc/63/05/07/570630507.db2.gz WQRRWVRQHLATEY-OAQYLSRUSA-N 0 0 392.415 4.300 50 5 GIBARN CCCCOc1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000006998440 570730991 /nfs/dbraw/zinc/73/09/91/570730991.db2.gz JJYLRKBGOWWXJD-PDGQHHTCSA-N 0 0 380.400 4.427 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)CCCOc1ccc(Cl)cc1C ZINC000004647047 570749873 /nfs/dbraw/zinc/74/98/73/570749873.db2.gz XCXRAJQGACAUIH-UHFFFAOYSA-N 0 0 378.812 4.363 50 5 GIBARN O=C(Oc1ccc(C(=S)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001161034 570759066 /nfs/dbraw/zinc/75/90/66/570759066.db2.gz COYMGQNQDUTHLW-UHFFFAOYSA-N 0 0 390.848 4.239 50 5 GIBARN Cc1cc2oc(=O)cc(COC(=O)c3cccc(C)c3[N+](=O)[O-])c2cc1Cl ZINC000004435847 570767681 /nfs/dbraw/zinc/76/76/81/570767681.db2.gz XQTKLKWIUHPOFL-UHFFFAOYSA-N 0 0 387.775 4.328 50 5 GIBARN O=C(Nc1ccc(F)c(F)c1F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005845279 570796670 /nfs/dbraw/zinc/79/66/70/570796670.db2.gz OUIDPTYBLXVQNJ-UHFFFAOYSA-N 0 0 379.338 4.255 50 5 GIBARN O=C(Nc1ccccc1OC(F)F)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000005884793 570801026 /nfs/dbraw/zinc/80/10/26/570801026.db2.gz XIWICZBKEDPIHT-UHFFFAOYSA-N 0 0 391.374 4.439 50 5 GIBARN COc1cc2nc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2cc1OC ZINC000004479915 570802599 /nfs/dbraw/zinc/80/25/99/570802599.db2.gz FFSJOGVYQOTYSC-UHFFFAOYSA-N 0 0 393.808 4.127 50 5 GIBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 ZINC000006001193 570813029 /nfs/dbraw/zinc/81/30/29/570813029.db2.gz SSLVPTPCQROTJO-SECBINFHSA-N 0 0 385.203 4.316 50 5 GIBARN CC(C)[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000012517565 570826666 /nfs/dbraw/zinc/82/66/66/570826666.db2.gz WJTRFQDQELJNHQ-NRFANRHFSA-N 0 0 381.476 4.325 50 5 GIBARN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004687302 570828159 /nfs/dbraw/zinc/82/81/59/570828159.db2.gz QDQUOKFSSIUBEP-UHFFFAOYSA-N 0 0 383.492 4.284 50 5 GIBARN CCCN(CCC)C(=O)c1cc(C(=O)N(CCC)CCC)cc([N+](=O)[O-])c1 ZINC000005708003 570838393 /nfs/dbraw/zinc/83/83/93/570838393.db2.gz IBPKFKHELWAWSA-UHFFFAOYSA-N 0 0 377.485 4.119 50 5 GIBARN COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000004702864 570842786 /nfs/dbraw/zinc/84/27/86/570842786.db2.gz OTDNAUOMSWNMEF-VIFPVBQESA-N 0 0 385.203 4.316 50 5 GIBARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cs1 ZINC000012562324 570867435 /nfs/dbraw/zinc/86/74/35/570867435.db2.gz QKWYEPJLCIBCPK-GFCCVEGCSA-N 0 0 382.445 4.466 50 5 GIBARN Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cs1 ZINC000012563987 570869454 /nfs/dbraw/zinc/86/94/54/570869454.db2.gz PRJPAYFFDFIJMG-GFCCVEGCSA-N 0 0 382.445 4.466 50 5 GIBARN CCOC(=O)/C=C(/C)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102896693 570870316 /nfs/dbraw/zinc/87/03/16/570870316.db2.gz VGJYXBJMJKTRGX-LFDGNKEFSA-N 0 0 379.416 4.213 50 5 GIBARN CN1c2ccccc2C(C)(C)/C1=C\c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000102946884 570871809 /nfs/dbraw/zinc/87/18/09/570871809.db2.gz SEXCTZROWSKYMX-LICLKQGHSA-N 0 0 384.348 4.180 50 5 GIBARN Cc1ccc([C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])N2CCOCC2)o1 ZINC000024527835 570887373 /nfs/dbraw/zinc/88/73/73/570887373.db2.gz CMWQNVZDHJFWFT-INIZCTEOSA-N 0 0 399.369 4.000 50 5 GIBARN CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1 ZINC000023042072 570893481 /nfs/dbraw/zinc/89/34/81/570893481.db2.gz IXBYCLBDHFGZIU-UHFFFAOYSA-N 0 0 396.472 4.471 50 5 GIBARN CSc1ccccc1-c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000004585579 570918743 /nfs/dbraw/zinc/91/87/43/570918743.db2.gz JKUNIYDHZIPIKU-UHFFFAOYSA-N 0 0 390.808 4.272 50 5 GIBARN CSc1cccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000004585605 570918990 /nfs/dbraw/zinc/91/89/90/570918990.db2.gz TVDOFGSUUXVCGG-UHFFFAOYSA-N 0 0 390.808 4.272 50 5 GIBARN Cn1c(=O)nc2n(-c3ccc(C4CCCCC4)cc3)c3ccccc3cc-2c1=O ZINC000005748814 570920864 /nfs/dbraw/zinc/92/08/64/570920864.db2.gz KJYYWIFCBHKHJV-UHFFFAOYSA-N 0 0 385.467 4.237 50 5 GIBARN C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000170639160 570942061 /nfs/dbraw/zinc/94/20/61/570942061.db2.gz HTCFNZUROHCHSE-CQSZACIVSA-N 0 0 380.448 4.044 50 5 GIBARN C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000170639161 570942305 /nfs/dbraw/zinc/94/23/05/570942305.db2.gz HTCFNZUROHCHSE-AWEZNQCLSA-N 0 0 380.448 4.044 50 5 GIBARN COC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004750283 570954626 /nfs/dbraw/zinc/95/46/26/570954626.db2.gz PNCNQAJZPGWQTI-UHFFFAOYSA-N 0 0 382.397 4.362 50 5 GIBARN Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl ZINC000004740911 570958180 /nfs/dbraw/zinc/95/81/80/570958180.db2.gz XFFPGOLFNKBGGT-UHFFFAOYSA-N 0 0 394.258 4.172 50 5 GIBARN Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H](C)c3cccc([N+](=O)[O-])c3)c12 ZINC000025834967 570975072 /nfs/dbraw/zinc/97/50/72/570975072.db2.gz LBTGAVGFDZHIPN-LBPRGKRZSA-N 0 0 380.404 4.150 50 5 GIBARN Cc1c(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000004778457 570975496 /nfs/dbraw/zinc/97/54/96/570975496.db2.gz RXWPVIGMWSRUMY-UHFFFAOYSA-N 0 0 389.411 4.337 50 5 GIBARN