smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NC(=O)CSc2ncnc3c4cc5c(C)cc(C)cc5nc4sc32)cc(OC)c1 ZINC000001327856 194088201 /nfs/dbraw/zinc/08/82/01/194088201.db2.gz NNBXBOORGPXNNV-UHFFFAOYSA-N 0 0 490.610 5.758 40 5 JKBBRN COc1cc(NC(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)cc(OC)c1 ZINC000001327851 194088249 /nfs/dbraw/zinc/08/82/49/194088249.db2.gz DXFBMIXCOFVSJP-UHFFFAOYSA-N 0 0 462.556 5.141 40 5 JKBBRN N=c1oc2cc3c4c(cccc4C(=O)N(c4ccccc4)C3=O)c2cc1-c1nc2ccccc2[nH]1 ZINC000003115900 194227818 /nfs/dbraw/zinc/22/78/18/194227818.db2.gz FKLJUVOUUMGIJY-UHFFFAOYSA-N 0 0 456.461 5.409 40 5 JKBBRN Clc1c(Cl)c(Cl)c2c(c1Cl)OC[C@@H](c1ccc3cc4ccccc4cc3c1)O2 ZINC000003844425 194364029 /nfs/dbraw/zinc/36/40/29/194364029.db2.gz DGUGRHYLLRMJBK-INIZCTEOSA-N 0 0 450.148 8.119 40 5 JKBBRN O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1cccc2ccccc21 ZINC000003848887 194364534 /nfs/dbraw/zinc/36/45/34/194364534.db2.gz AZEIHPIQTTXRQW-UHFFFAOYSA-N 0 0 484.489 5.467 40 5 JKBBRN C[C@@H]1[C@@H]2NC(=S)N(c3ccc(Cl)c(C(F)(F)F)c3)[C@@]1(C)Oc1ccc([N+](=O)[O-])cc12 ZINC000004767742 194398346 /nfs/dbraw/zinc/39/83/46/194398346.db2.gz ZPBHDPZFICVTNZ-COJQNKITSA-N 0 0 457.861 5.448 40 5 JKBBRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610276 195183335 /nfs/dbraw/zinc/18/33/35/195183335.db2.gz RTGHZQBOLUCXQK-UUILKARUSA-N 0 0 463.881 5.033 40 5 JKBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610169 195183380 /nfs/dbraw/zinc/18/33/80/195183380.db2.gz RJOFAMSSGMUTNZ-UHFFFAOYSA-N 0 0 453.458 5.403 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000020610915 195184328 /nfs/dbraw/zinc/18/43/28/195184328.db2.gz KSLLNGBFIFJHPS-UHFFFAOYSA-N 0 0 473.876 5.803 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000020611204 195184938 /nfs/dbraw/zinc/18/49/38/195184938.db2.gz SKDBUYZYNISVLN-UHFFFAOYSA-N 0 0 491.960 6.320 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)cc1Cl ZINC000020611834 195185859 /nfs/dbraw/zinc/18/58/59/195185859.db2.gz QEPCTSKVCCHKPL-RMKNXTFCSA-N 0 0 467.909 5.305 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 ZINC000020611826 195185950 /nfs/dbraw/zinc/18/59/50/195185950.db2.gz GPAMTRLKYMXIGX-JXMROGBWSA-N 0 0 498.333 5.106 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020611844 195186040 /nfs/dbraw/zinc/18/60/40/195186040.db2.gz IKJSYJXJVZTRMR-UHFFFAOYSA-N 0 0 462.289 5.251 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl ZINC000020611782 195186052 /nfs/dbraw/zinc/18/60/52/195186052.db2.gz MIYNCSQXPAWZIO-UHFFFAOYSA-N 0 0 452.319 5.205 40 5 JKBBRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000020753385 195215543 /nfs/dbraw/zinc/21/55/43/195215543.db2.gz SRMOKYOAVWUOAH-UHFFFAOYSA-N 0 0 477.933 5.498 40 5 JKBBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 ZINC000020797310 195225975 /nfs/dbraw/zinc/22/59/75/195225975.db2.gz JHLOLAZWGGXPNZ-JOCHJYFZSA-N 0 0 459.893 5.526 40 5 JKBBRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 ZINC000020797530 195226111 /nfs/dbraw/zinc/22/61/11/195226111.db2.gz APVMKIKASJYTHD-QFIPXVFZSA-N 0 0 459.893 5.526 40 5 JKBBRN COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020970298 195257600 /nfs/dbraw/zinc/25/76/00/195257600.db2.gz VURLFYKUIRGGSB-QHCPKHFHSA-N 0 0 489.919 5.534 40 5 JKBBRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020970175 195257644 /nfs/dbraw/zinc/25/76/44/195257644.db2.gz LLSKGFAELHALDN-DEOSSOPVSA-N 0 0 487.947 6.088 40 5 JKBBRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020970361 195257839 /nfs/dbraw/zinc/25/78/39/195257839.db2.gz OCHFBLMJRVBWNV-DEOSSOPVSA-N 0 0 469.501 5.271 40 5 JKBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] ZINC000021123901 195279989 /nfs/dbraw/zinc/27/99/89/195279989.db2.gz MRQFLONFMXHCSG-UHFFFAOYSA-N 0 0 452.206 5.331 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 ZINC000021305963 195293621 /nfs/dbraw/zinc/29/36/21/195293621.db2.gz BAUKTZDDKUSGPB-RUDMXATFSA-N 0 0 492.340 5.354 40 5 JKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000021596015 195318298 /nfs/dbraw/zinc/31/82/98/195318298.db2.gz WAKPJAFHAAZXCN-UHFFFAOYSA-N 0 0 471.517 5.595 40 5 JKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1 ZINC000021596044 195318303 /nfs/dbraw/zinc/31/83/03/195318303.db2.gz NCEPRHFRNFPIBG-SNVBAGLBSA-N 0 0 492.022 6.027 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3)cc2[N+](=O)[O-])CC1 ZINC000021596010 195318359 /nfs/dbraw/zinc/31/83/59/195318359.db2.gz FTPINOGGIVILLY-UHFFFAOYSA-N 0 0 492.963 5.989 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 ZINC000059409118 195399221 /nfs/dbraw/zinc/39/92/21/195399221.db2.gz AMBYFLDBFVIUGG-OAQYLSRUSA-N 0 0 470.348 5.633 40 5 JKBBRN O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059417211 195399619 /nfs/dbraw/zinc/39/96/19/195399619.db2.gz IKHBHIBEWFBHPZ-UHFFFAOYSA-N 0 0 454.763 6.451 40 5 JKBBRN O=C(COC(=O)c1cc(-c2ccccc2)nc2ccc([N+](=O)[O-])cc21)c1ccc(Br)cc1 ZINC000059417255 195399796 /nfs/dbraw/zinc/39/97/96/195399796.db2.gz CMDGWLYIMINGSQ-UHFFFAOYSA-N 0 0 491.297 5.612 40 5 JKBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000059433369 195401788 /nfs/dbraw/zinc/40/17/88/195401788.db2.gz WWTDWXUBCMMRJT-QQNJPBSNSA-N 0 0 458.901 5.209 40 5 JKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(COc4ccccc4)n3-c3ccccc3)c[nH]c2c1 ZINC000059459172 195402694 /nfs/dbraw/zinc/40/26/94/195402694.db2.gz OCMSQCVBQXDVPU-UHFFFAOYSA-N 0 0 457.515 5.528 40 5 JKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Br)c1 ZINC000059463588 195403274 /nfs/dbraw/zinc/40/32/74/195403274.db2.gz NJCJYZLXQWSVAL-UHFFFAOYSA-N 0 0 480.343 6.400 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000106684813 195457352 /nfs/dbraw/zinc/45/73/52/195457352.db2.gz WRKZHFYFHPFYPT-JAIQZWGSSA-N 0 0 454.891 6.053 40 5 JKBBRN O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727507 195460958 /nfs/dbraw/zinc/46/09/58/195460958.db2.gz XEISTCCGGFYGQU-IDUWFGFVSA-N 0 0 458.293 5.075 40 5 JKBBRN O=C1S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000409382989 195516904 /nfs/dbraw/zinc/51/69/04/195516904.db2.gz SMEPXHJEHODNLG-BNCCVWRVSA-N 0 0 477.281 5.245 40 5 JKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409051456 195502202 /nfs/dbraw/zinc/50/22/02/195502202.db2.gz AELIOGSPHSXXBS-UHFFFAOYSA-N 0 0 498.879 6.338 40 5 JKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000409051990 195503624 /nfs/dbraw/zinc/50/36/24/195503624.db2.gz PGVCLMWWUYRMNP-UHFFFAOYSA-N 0 0 479.489 5.794 40 5 JKBBRN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Cc1ccc(F)cc1 ZINC000095676429 129918652 /nfs/dbraw/zinc/91/86/52/129918652.db2.gz VSRLISSDKRZTJE-UHFFFAOYSA-N 0 0 452.310 5.028 40 5 JKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000014920341 519825724 /nfs/dbraw/zinc/82/57/24/519825724.db2.gz MUSCJXZNWNRCOK-XCIGCYOISA-N 0 0 470.549 9.486 40 5 JKBBRN CCOP(=O)(OCC)c1c2ccccc2c(P(=O)(OCC)OCC)c2ccccc21 ZINC000016697704 520242286 /nfs/dbraw/zinc/24/22/86/520242286.db2.gz AJEHGIBGTGZRJW-UHFFFAOYSA-N 0 0 450.408 5.776 40 5 JKBBRN CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccccc3OC)cc([N+](=O)[O-])c2)cc1 ZINC000020176913 521180577 /nfs/dbraw/zinc/18/05/77/521180577.db2.gz YNJPDUXGKVMJDO-UHFFFAOYSA-N 0 0 467.503 5.172 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022741487 521266514 /nfs/dbraw/zinc/26/65/14/521266514.db2.gz ZARZDRFHFPFTHX-UHFFFAOYSA-N 0 0 484.343 6.230 40 5 JKBBRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(Cl)c1 ZINC000020459527 521489046 /nfs/dbraw/zinc/48/90/46/521489046.db2.gz QXPQSZWYMPZXJY-XSFVSMFZSA-N 0 0 450.878 5.604 40 5 JKBBRN CC[C@H](c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1)n1cc(Cl)cn1 ZINC000022532660 522979089 /nfs/dbraw/zinc/97/90/89/522979089.db2.gz BPFKMYMNMIWLNL-SNVBAGLBSA-N 0 0 451.865 5.064 40 5 JKBBRN Cc1ccccc1NCc1nnc(SCc2nc3cc([N+](=O)[O-])ccc3[nH]2)n1-c1ccccc1 ZINC000020418897 525272416 /nfs/dbraw/zinc/27/24/16/525272416.db2.gz SITCTUODZIEERF-UHFFFAOYSA-N 0 0 471.546 5.265 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000032116511 525824495 /nfs/dbraw/zinc/82/44/95/525824495.db2.gz SNMIZGZVNGPHAL-UHFFFAOYSA-N 0 0 491.485 5.055 40 5 JKBBRN Cc1ccc(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c(C)c1 ZINC000020357079 525837648 /nfs/dbraw/zinc/83/76/48/525837648.db2.gz DXJCYACCJXETOE-UHFFFAOYSA-N 0 0 454.530 5.568 40 5 JKBBRN O=C(CCSc1nnc(CCc2ccccc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000020522288 526546415 /nfs/dbraw/zinc/54/64/15/526546415.db2.gz CNCHKZREMTXOAD-UHFFFAOYSA-N 0 0 473.558 5.082 40 5 JKBBRN O=C1S/C(=C/c2ccn(-c3cccc([N+](=O)[O-])c3)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000022564690 527103149 /nfs/dbraw/zinc/10/31/49/527103149.db2.gz SAWIHWGQRGRSIJ-UFWORHAWSA-N 0 0 457.870 5.415 40 5 JKBBRN O=c1c2ccc3cccnc3c2c(OS(=O)(=O)c2ccccc2)c2ccc3ccc[nH]c3c21 ZINC000016491548 527262416 /nfs/dbraw/zinc/26/24/16/527262416.db2.gz CAYNUHMGQZWJKW-UHFFFAOYSA-N 0 0 452.491 5.563 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Br)=C/c2ccccc2)cc1/C=C\c1ccccc1 ZINC000013406699 527339716 /nfs/dbraw/zinc/33/97/16/527339716.db2.gz LYIOJFAVXFWPTG-WKLWQRMESA-N 0 0 451.276 6.566 40 5 JKBBRN O=[N+]([O-])c1ccc(/C=C/c2ccc(/C=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000068563478 527344455 /nfs/dbraw/zinc/34/44/55/527344455.db2.gz CDSARYSJQNNQEW-KQQUZDAGSA-N 0 0 462.374 5.660 40 5 JKBBRN O=C1NC(=S)SC1=Cc1ccc2ccc3ccc(C=C4SC(=S)NC4=O)nc3c2n1 ZINC000016431677 527514746 /nfs/dbraw/zinc/51/47/46/527514746.db2.gz QWKRISTZMDUFJG-PVRNWPCDSA-N 0 0 466.594 5.441 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nnc(CNc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 ZINC000000812997 553785352 /nfs/dbraw/zinc/78/53/52/553785352.db2.gz FLIBELFBIQFCHD-UHFFFAOYSA-N 0 0 488.573 5.135 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1[N+](=O)[O-] ZINC000000817529 553785602 /nfs/dbraw/zinc/78/56/02/553785602.db2.gz IRPMALMBDIIREG-UHFFFAOYSA-N 0 0 474.300 5.805 40 5 JKBBRN CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000000862091 553802742 /nfs/dbraw/zinc/80/27/42/553802742.db2.gz YGURTESJLYEKPP-UHFFFAOYSA-N 0 0 459.531 5.330 40 5 JKBBRN Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c(C)c1 ZINC000000868992 553807691 /nfs/dbraw/zinc/80/76/91/553807691.db2.gz XZLUNSBEKCWSGK-UHFFFAOYSA-N 0 0 473.558 5.499 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1[N+](=O)[O-] ZINC000000869024 553807990 /nfs/dbraw/zinc/80/79/90/553807990.db2.gz GCUKEXTVLKEMSW-UHFFFAOYSA-N 0 0 462.506 5.692 40 5 JKBBRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000000869793 553808217 /nfs/dbraw/zinc/80/82/17/553808217.db2.gz HKWTVDALEWYTEK-UHFFFAOYSA-N 0 0 478.402 5.259 40 5 JKBBRN Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000000888309 553826934 /nfs/dbraw/zinc/82/69/34/553826934.db2.gz VHCSKOQVUZPPCV-KRWDZBQOSA-N 0 0 459.531 5.270 40 5 JKBBRN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@@H](C(Cl)(Cl)Cl)O[C@H]2C(Cl)(Cl)Cl ZINC000001615451 553980446 /nfs/dbraw/zinc/98/04/46/553980446.db2.gz FHFYDARLLMBMPK-HTQZYQBOSA-N 0 0 460.868 5.020 40 5 JKBBRN O=C1c2ccccc2-c2ccc(N(Cc3ccc([N+](=O)[O-])cc3)Cc3ccc([N+](=O)[O-])cc3)cc21 ZINC000001608855 553980505 /nfs/dbraw/zinc/98/05/05/553980505.db2.gz BVMBVRHQQQEODL-UHFFFAOYSA-N 0 0 465.465 5.921 40 5 JKBBRN COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000001714439 553984580 /nfs/dbraw/zinc/98/45/80/553984580.db2.gz LXHQHTVWJSTJGP-NXZHAISVSA-N 0 0 492.484 5.878 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000001839226 553994167 /nfs/dbraw/zinc/99/41/67/553994167.db2.gz MYORSIDTRVKEDO-MZTACXPWSA-N 0 0 475.932 7.222 40 5 JKBBRN O=C(Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000001848268 553995811 /nfs/dbraw/zinc/99/58/11/553995811.db2.gz FDYFLDMYTXFGRZ-DEOSSOPVSA-N 0 0 470.437 5.221 40 5 JKBBRN Cc1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001864851 553998635 /nfs/dbraw/zinc/99/86/35/553998635.db2.gz XGCFPXIHPBATRR-UHFFFAOYSA-N 0 0 456.323 5.212 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000001868332 553999823 /nfs/dbraw/zinc/99/98/23/553999823.db2.gz CKKGUGCBRXICMS-ZDUSSCGKSA-N 0 0 484.339 7.476 40 5 JKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000002400901 554185879 /nfs/dbraw/zinc/18/58/79/554185879.db2.gz ZDXFAWQXTOAOTE-UHFFFAOYSA-N 0 0 469.478 5.744 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000002751240 554326394 /nfs/dbraw/zinc/32/63/94/554326394.db2.gz YBCXWMUOVQRWNH-UHFFFAOYSA-N 0 0 474.299 7.564 40 5 JKBBRN O=C(Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000002774753 554338463 /nfs/dbraw/zinc/33/84/63/554338463.db2.gz WAXHSLPLTWNASD-UHFFFAOYSA-N 0 0 492.447 5.999 40 5 JKBBRN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003012181 554423347 /nfs/dbraw/zinc/42/33/47/554423347.db2.gz AAUKWQJZSQWLQS-UHFFFAOYSA-N 0 0 458.224 5.310 40 5 JKBBRN 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Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009064622 554882953 /nfs/dbraw/zinc/88/29/53/554882953.db2.gz KIDJVLSXNYQLNG-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000009142348 554935445 /nfs/dbraw/zinc/93/54/45/554935445.db2.gz DUTMQUSGYKJSII-UHFFFAOYSA-N 0 0 470.721 5.942 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000009200079 554971517 /nfs/dbraw/zinc/97/15/17/554971517.db2.gz YYKSOBMAQMCMCG-UHFFFAOYSA-N 0 0 460.515 5.197 40 5 JKBBRN O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000009636678 555344297 /nfs/dbraw/zinc/34/42/97/555344297.db2.gz NVSRYIFVBUTHEE-ZJZGAYNASA-N 0 0 475.342 5.345 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)ccc2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013388531 555394102 /nfs/dbraw/zinc/39/41/02/555394102.db2.gz QWMUXHQSQMVWOF-UHFFFAOYSA-N 0 0 481.530 5.181 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2)cc1/C=C(/Br)c1ccccc1 ZINC000013403291 555396288 /nfs/dbraw/zinc/39/62/88/555396288.db2.gz IZUCMCYILUILLB-BUGXHRFLSA-N 0 0 451.276 6.566 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Br)c2ccccc2)cc1/C=C\c1ccccc1 ZINC000013403284 555396336 /nfs/dbraw/zinc/39/63/36/555396336.db2.gz IZUCMCYILUILLB-PLPGPOEOSA-N 0 0 451.276 6.566 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000013424294 555398405 /nfs/dbraw/zinc/39/84/05/555398405.db2.gz SWTOEBDRECGIRY-UHFFFAOYSA-N 0 0 487.921 5.218 40 5 JKBBRN O=C(Oc1cccc2c(OC(=O)c3ccc([N+](=O)[O-])cc3)cccc12)c1ccc([N+](=O)[O-])cc1 ZINC000013452444 555400975 /nfs/dbraw/zinc/40/09/75/555400975.db2.gz JNTCGGDXPYIDDQ-UHFFFAOYSA-N 0 0 458.382 5.095 40 5 JKBBRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509766 555481764 /nfs/dbraw/zinc/48/17/64/555481764.db2.gz ZHJHOSSLPRUSFO-UHFFFAOYSA-N 0 0 472.549 5.361 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509760 555481773 /nfs/dbraw/zinc/48/17/73/555481773.db2.gz RBTCTHKDJLYMDT-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509731 555481842 /nfs/dbraw/zinc/48/18/42/555481842.db2.gz HGWKNVASZCFCAB-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN COc1ccc(-c2nsc3c2ncnc3S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000013510947 555482745 /nfs/dbraw/zinc/48/27/45/555482745.db2.gz KBCBBLNRBUYWNW-ZDUSSCGKSA-N 0 0 481.559 5.098 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21 ZINC000013510984 555482789 /nfs/dbraw/zinc/48/27/89/555482789.db2.gz SCSSIEVWZOYATN-UHFFFAOYSA-N 0 0 487.950 5.054 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000013628664 555540563 /nfs/dbraw/zinc/54/05/63/555540563.db2.gz DCEWMXCELNQXQE-UHFFFAOYSA-N 0 0 476.558 5.271 40 5 JKBBRN O=C(CSc1n[nH]c(-c2ccccc2Cl)n1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019928193 555543290 /nfs/dbraw/zinc/54/32/90/555543290.db2.gz TYHUGHKHZOFQJK-UHFFFAOYSA-N 0 0 458.714 5.071 40 5 JKBBRN COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)o1 ZINC000019929127 555545301 /nfs/dbraw/zinc/54/53/01/555545301.db2.gz YUJUZMUASKBDFY-UHFFFAOYSA-N 0 0 489.724 5.344 40 5 JKBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000010042479 555606740 /nfs/dbraw/zinc/60/67/40/555606740.db2.gz DNOMATYTXKRSOJ-UHFFFAOYSA-N 0 0 496.519 5.379 40 5 JKBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000010120066 555631982 /nfs/dbraw/zinc/63/19/82/555631982.db2.gz DSPYNJJIXIGHLQ-UHFFFAOYSA-N 0 0 463.902 6.447 40 5 JKBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc(OC)c1OC ZINC000010120220 555632557 /nfs/dbraw/zinc/63/25/57/555632557.db2.gz QNEBATJZDLFBIC-UHFFFAOYSA-N 0 0 483.864 5.335 40 5 JKBBRN COc1cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc(OC)c1OC ZINC000010120217 555632585 /nfs/dbraw/zinc/63/25/85/555632585.db2.gz RPQGFOJMVMVZPC-UHFFFAOYSA-N 0 0 483.864 5.335 40 5 JKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)oc2cc1C ZINC000010120378 555633096 /nfs/dbraw/zinc/63/30/96/555633096.db2.gz QSVYSSOZLPDJMY-UHFFFAOYSA-N 0 0 491.956 6.818 40 5 JKBBRN Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000010120402 555633191 /nfs/dbraw/zinc/63/31/91/555633191.db2.gz KGXKYASMJHODSH-UXBLZVDNSA-N 0 0 461.905 6.003 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)cc2[N+](=O)[O-])CC1 ZINC000020142658 555663535 /nfs/dbraw/zinc/66/35/35/555663535.db2.gz GWJMOKWMBQGDEA-UHFFFAOYSA-N 0 0 469.925 5.489 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020142804 555663841 /nfs/dbraw/zinc/66/38/41/555663841.db2.gz VMWAPCVUCCZPIR-UHFFFAOYSA-N 0 0 455.898 5.243 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000020151012 555667672 /nfs/dbraw/zinc/66/76/72/555667672.db2.gz ZJTDRVZMAQYMGS-IZZDOVSWSA-N 0 0 478.888 6.221 40 5 JKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1-c1ccc(CO)o1 ZINC000020151057 555667990 /nfs/dbraw/zinc/66/79/90/555667990.db2.gz FYDMEJBVUBATHN-KPKJPENVSA-N 0 0 474.469 5.576 40 5 JKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 ZINC000020151015 555668002 /nfs/dbraw/zinc/66/80/02/555668002.db2.gz QGTQVAGWIJIIPG-KPKJPENVSA-N 0 0 474.469 5.576 40 5 JKBBRN Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000014069897 555678335 /nfs/dbraw/zinc/67/83/35/555678335.db2.gz ULZWSEZREZUDSS-UHFFFAOYSA-N 0 0 472.741 5.081 40 5 JKBBRN CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccc(Cl)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000020176905 555682621 /nfs/dbraw/zinc/68/26/21/555682621.db2.gz DVTDYRDOWBRVQJ-UHFFFAOYSA-N 0 0 471.922 5.817 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)cc1[N+](=O)[O-] ZINC000014132363 555699938 /nfs/dbraw/zinc/69/99/38/555699938.db2.gz NJJDUGUUBQADOL-ZVHZXABRSA-N 0 0 470.506 6.553 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)ccc3o2)cc1Cl ZINC000010372890 555700507 /nfs/dbraw/zinc/70/05/07/555700507.db2.gz GTHXVJQXDQAKII-UHFFFAOYSA-N 0 0 491.931 6.516 40 5 JKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3s2)c1O ZINC000010372884 555700511 /nfs/dbraw/zinc/70/05/11/555700511.db2.gz FJMLCRRRIZVQHA-UHFFFAOYSA-N 0 0 473.554 6.336 40 5 JKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372885 555700600 /nfs/dbraw/zinc/70/06/00/555700600.db2.gz FSIJURRUMLVTMW-UHFFFAOYSA-N 0 0 473.554 6.331 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000014152900 555708816 /nfs/dbraw/zinc/70/88/16/555708816.db2.gz RBCVFIHOWGVXOR-UHFFFAOYSA-N 0 0 478.452 5.118 40 5 JKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000014270487 555762836 /nfs/dbraw/zinc/76/28/36/555762836.db2.gz FFDWTLUPEPKONS-UHFFFAOYSA-N 0 0 462.556 5.615 40 5 JKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000014270499 555762858 /nfs/dbraw/zinc/76/28/58/555762858.db2.gz ZJMKOZQXAIYGPZ-UHFFFAOYSA-N 0 0 468.947 5.652 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000014270852 555764137 /nfs/dbraw/zinc/76/41/37/555764137.db2.gz FJVHSZYSFLDPDZ-UHFFFAOYSA-N 0 0 453.332 5.152 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000014271012 555764642 /nfs/dbraw/zinc/76/46/42/555764642.db2.gz YDLUPPWBYHLBIE-UHFFFAOYSA-N 0 0 466.302 5.297 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2)cc1 ZINC000011196574 555766023 /nfs/dbraw/zinc/76/60/23/555766023.db2.gz MUXAVAYAGJKINX-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000014272330 555769619 /nfs/dbraw/zinc/76/96/19/555769619.db2.gz IXPUHBQODKZAKX-UHFFFAOYSA-N 0 0 461.474 5.796 40 5 JKBBRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000014273192 555772433 /nfs/dbraw/zinc/77/24/33/555772433.db2.gz BXKKBJMEJMAWIM-YRNVUSSQSA-N 0 0 460.873 5.982 40 5 JKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274388 555776479 /nfs/dbraw/zinc/77/64/79/555776479.db2.gz YITLJXNVFMSBMA-UHFFFAOYSA-N 0 0 486.903 5.384 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014274567 555777096 /nfs/dbraw/zinc/77/70/96/555777096.db2.gz SBVPMXVOMFSBOO-RMKNXTFCSA-N 0 0 476.341 5.996 40 5 JKBBRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000014274565 555777108 /nfs/dbraw/zinc/77/71/08/555777108.db2.gz SVWWYAJKTATGJN-WEVVVXLNSA-N 0 0 476.341 5.996 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000014274582 555777377 /nfs/dbraw/zinc/77/73/77/555777377.db2.gz TXQIGKSXDIDBFT-XBXARRHUSA-N 0 0 480.304 5.827 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014274573 555777381 /nfs/dbraw/zinc/77/73/81/555777381.db2.gz MFRVRZCPMFEUTL-WEVVVXLNSA-N 0 0 476.341 5.996 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014274989 555778978 /nfs/dbraw/zinc/77/89/78/555778978.db2.gz BINRWQFIYGYBCH-ZZXKWVIFSA-N 0 0 496.759 6.341 40 5 JKBBRN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000014277412 555786012 /nfs/dbraw/zinc/78/60/12/555786012.db2.gz RAAXHOINOXJUJL-UHFFFAOYSA-N 0 0 480.735 5.777 40 5 JKBBRN Cc1cc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000014277899 555787116 /nfs/dbraw/zinc/78/71/16/555787116.db2.gz BZZMPHWXZZCEDA-UHFFFAOYSA-N 0 0 490.947 6.526 40 5 JKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000014277893 555787211 /nfs/dbraw/zinc/78/72/11/555787211.db2.gz IYRQWMJCPXXXAV-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 ZINC000014277951 555787411 /nfs/dbraw/zinc/78/74/11/555787411.db2.gz NMVVYBXGGKOHIE-KRWDZBQOSA-N 0 0 481.508 7.429 40 5 JKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000014278078 555787706 /nfs/dbraw/zinc/78/77/06/555787706.db2.gz VEIULFSQXMSXJF-UHFFFAOYSA-N 0 0 486.528 5.417 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000020410839 555787783 /nfs/dbraw/zinc/78/77/83/555787783.db2.gz KJHJAJGVDZAHHF-XBXARRHUSA-N 0 0 488.327 5.650 40 5 JKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1Cl ZINC000014278171 555787953 /nfs/dbraw/zinc/78/79/53/555787953.db2.gz UWWJKXRNLMKUHC-UHFFFAOYSA-N 0 0 486.764 6.313 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl ZINC000014278341 555788262 /nfs/dbraw/zinc/78/82/62/555788262.db2.gz ZDJAVBWOEQPBJE-UHFFFAOYSA-N 0 0 476.920 6.217 40 5 JKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014278498 555788825 /nfs/dbraw/zinc/78/88/25/555788825.db2.gz BVLWGUGRQXGNEW-UHFFFAOYSA-N 0 0 481.512 6.273 40 5 JKBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] ZINC000020529051 555793720 /nfs/dbraw/zinc/79/37/20/555793720.db2.gz VFQSYVKXVVNOTN-SOFGYWHQSA-N 0 0 478.244 5.730 40 5 JKBBRN Cc1nc(-c2ccc(C)cc2)c(CC(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)s1 ZINC000014358547 555797613 /nfs/dbraw/zinc/79/76/13/555797613.db2.gz DECDGFMLVQVMBT-UHFFFAOYSA-N 0 0 476.605 6.871 40 5 JKBBRN CC(C)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020550256 555807038 /nfs/dbraw/zinc/80/70/38/555807038.db2.gz PCXHILDFDRITMU-DEOSSOPVSA-N 0 0 464.363 6.836 40 5 JKBBRN CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C ZINC000014405630 555808272 /nfs/dbraw/zinc/80/82/72/555808272.db2.gz VFPZTCMKAPWJEN-BUHFOSPRSA-N 0 0 461.522 5.112 40 5 JKBBRN Cc1cc(C)c2c(n1)sc1c2nc(-c2cn(C)c3ccccc23)c2c(=O)oc3ccc(O)cc3c12 ZINC000011865381 555839880 /nfs/dbraw/zinc/83/98/80/555839880.db2.gz CEFLZJYBGUDYJL-UHFFFAOYSA-N 0 0 477.545 6.585 40 5 JKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021580529 555852517 /nfs/dbraw/zinc/85/25/17/555852517.db2.gz NJDPWKBWTGPPRD-UHFFFAOYSA-N 0 0 478.917 6.267 40 5 JKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1Cl ZINC000021595337 555853290 /nfs/dbraw/zinc/85/32/90/555853290.db2.gz NWTTXPKZYBNJSJ-UHFFFAOYSA-N 0 0 497.960 6.504 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1C ZINC000021595853 555853861 /nfs/dbraw/zinc/85/38/61/555853861.db2.gz UGWZUWKAMARVEQ-SDNWHVSQSA-N 0 0 479.492 6.932 40 5 JKBBRN CCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1C ZINC000022009790 555861543 /nfs/dbraw/zinc/86/15/43/555861543.db2.gz BOHNOZPMQNEFTF-UHFFFAOYSA-N 0 0 480.575 5.036 40 5 JKBBRN COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000022108232 555875289 /nfs/dbraw/zinc/87/52/89/555875289.db2.gz WJBNWJGIKUVPFI-BKJLSBSTSA-N 0 0 478.504 5.027 40 5 JKBBRN CCc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 ZINC000015134687 555879727 /nfs/dbraw/zinc/87/97/27/555879727.db2.gz IRRPFXKRBHSXMR-JOCHJYFZSA-N 0 0 453.336 6.346 40 5 JKBBRN CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000015134433 555879756 /nfs/dbraw/zinc/87/97/56/555879756.db2.gz HMHVRHXNTPHLFZ-WOMMWWHSSA-N 0 0 460.615 5.411 40 5 JKBBRN CCc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccc(Br)cc2)cc1 ZINC000015134689 555879806 /nfs/dbraw/zinc/87/98/06/555879806.db2.gz IRRPFXKRBHSXMR-QFIPXVFZSA-N 0 0 453.336 6.346 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015303433 555894037 /nfs/dbraw/zinc/89/40/37/555894037.db2.gz YLQZSGHZOSKFIK-UHFFFAOYSA-N 0 0 477.361 5.407 40 5 JKBBRN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000015304553 555894328 /nfs/dbraw/zinc/89/43/28/555894328.db2.gz UESNLMFVLGOABL-FYJGNVAPSA-N 0 0 478.888 5.570 40 5 JKBBRN O=C(Nc1cc(Cl)ccc1Oc1ccccc1F)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000015303890 555894333 /nfs/dbraw/zinc/89/43/33/555894333.db2.gz LCAUOVOIKGCRCP-UHFFFAOYSA-N 0 0 494.931 7.583 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000022566016 555936210 /nfs/dbraw/zinc/93/62/10/555936210.db2.gz NQGNXXYCTAASDK-UHFFFAOYSA-N 0 0 458.908 5.245 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022567615 555936645 /nfs/dbraw/zinc/93/66/45/555936645.db2.gz GJYJMMUOTXRBPV-XBXARRHUSA-N 0 0 460.298 6.423 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000022571758 555937707 /nfs/dbraw/zinc/93/77/07/555937707.db2.gz DLUDOGDWTGPEON-UHFFFAOYSA-N 0 0 463.273 5.518 40 5 JKBBRN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2 ZINC000022572906 555938093 /nfs/dbraw/zinc/93/80/93/555938093.db2.gz WVYMMABOWVFYNN-HXUWFJFHSA-N 0 0 463.902 5.335 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000022710570 555945764 /nfs/dbraw/zinc/94/57/64/555945764.db2.gz AVKGYMPNQKEBPG-HNNXBMFYSA-N 0 0 474.542 6.043 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 ZINC000022714131 555946830 /nfs/dbraw/zinc/94/68/30/555946830.db2.gz IFLBWWJFQIUMJL-RIYZIHGNSA-N 0 0 477.948 6.450 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2)cc1 ZINC000022740658 555948989 /nfs/dbraw/zinc/94/89/89/555948989.db2.gz YTCFMTSYCZEAIN-UHFFFAOYSA-N 0 0 483.524 6.657 40 5 JKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000022743997 555950172 /nfs/dbraw/zinc/95/01/72/555950172.db2.gz NTAGSWXHNHMZJV-UHFFFAOYSA-N 0 0 486.528 5.615 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Br)cccc12 ZINC000022745059 555950440 /nfs/dbraw/zinc/95/04/40/555950440.db2.gz NNGYBMOIVQGBPF-UHFFFAOYSA-N 0 0 487.360 5.247 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000022745048 555950445 /nfs/dbraw/zinc/95/04/45/555950445.db2.gz BSZMJAYVQNDKHP-UHFFFAOYSA-N 0 0 487.339 6.234 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000022745035 555950453 /nfs/dbraw/zinc/95/04/53/555950453.db2.gz DOQUZIDKBVOZLT-UHFFFAOYSA-N 0 0 487.339 6.234 40 5 JKBBRN CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012318975 555951131 /nfs/dbraw/zinc/95/11/31/555951131.db2.gz WKFVJEUYHNQGMM-IQOKHDRSSA-N 0 0 467.518 5.252 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 ZINC000022746474 555951463 /nfs/dbraw/zinc/95/14/63/555951463.db2.gz FAZYJPFBDWTHPD-HNNXBMFYSA-N 0 0 488.569 6.352 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022751531 555952642 /nfs/dbraw/zinc/95/26/42/555952642.db2.gz QNAMKNFVENVBHI-UHFFFAOYSA-N 0 0 493.353 5.898 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022753186 555953077 /nfs/dbraw/zinc/95/30/77/555953077.db2.gz LCWTYYSANFVKPX-UHFFFAOYSA-N 0 0 494.507 5.645 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022757654 555954413 /nfs/dbraw/zinc/95/44/13/555954413.db2.gz LHBCTMXQPQWFTQ-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN CC1(COC(=O)N2CCC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21 ZINC000012402526 555976494 /nfs/dbraw/zinc/97/64/94/555976494.db2.gz PFPQPFZIKBLXLW-DEOSSOPVSA-N 0 0 471.513 5.121 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000012469613 555981987 /nfs/dbraw/zinc/98/19/87/555981987.db2.gz UHIPUGGRHKHVCI-CQSZACIVSA-N 0 0 470.620 5.790 40 5 JKBBRN Cn1c2ccccc2s/c1=N/C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000012546678 556022936 /nfs/dbraw/zinc/02/29/36/556022936.db2.gz UTPWLDDGDZTAGO-BYYHNAKLSA-N 0 0 486.597 5.348 40 5 JKBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000023430064 556055432 /nfs/dbraw/zinc/05/54/32/556055432.db2.gz OGFYMLMDCCBKCT-UHFFFAOYSA-N 0 0 479.949 5.151 40 5 JKBBRN C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012844611 556117503 /nfs/dbraw/zinc/11/75/03/556117503.db2.gz HINHXKDKGSJSKQ-LLVKDONJSA-N 0 0 482.871 5.843 40 5 JKBBRN CCc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016161270 556127095 /nfs/dbraw/zinc/12/70/95/556127095.db2.gz IFUQEURWGOGIBN-UHFFFAOYSA-N 0 0 462.243 5.274 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)o1 ZINC000016215052 556129627 /nfs/dbraw/zinc/12/96/27/556129627.db2.gz BZROJLCYPDRAQC-UHFFFAOYSA-N 0 0 456.414 5.319 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1Br ZINC000016226755 556130252 /nfs/dbraw/zinc/13/02/52/556130252.db2.gz LEGVDAZJAWRQNW-UHFFFAOYSA-N 0 0 468.263 5.426 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cccc1[N+](=O)[O-] ZINC000016250136 556131326 /nfs/dbraw/zinc/13/13/26/556131326.db2.gz ASFYLACCXGOYOI-UHFFFAOYSA-N 0 0 464.528 5.012 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C(C)(C)C)cc4)nc3c2)cccc1[N+](=O)[O-] ZINC000016250151 556131352 /nfs/dbraw/zinc/13/13/52/556131352.db2.gz PKQAKXBTSVHVJU-UHFFFAOYSA-N 0 0 488.573 5.061 40 5 JKBBRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3Cl)oc2c(C)c1 ZINC000016268725 556131611 /nfs/dbraw/zinc/13/16/11/556131611.db2.gz FYVWFXHWOMSHFK-UHFFFAOYSA-N 0 0 494.960 6.108 40 5 JKBBRN Cc1cc2sc(NC(=S)NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000016284229 556132697 /nfs/dbraw/zinc/13/26/97/556132697.db2.gz PKLWDWZHMNFRLK-HWKANZROSA-N 0 0 467.359 5.346 40 5 JKBBRN CCOC(=O)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000024522769 556133601 /nfs/dbraw/zinc/13/36/01/556133601.db2.gz QEFHOSIHQLCKBC-NTCAYCPXSA-N 0 0 455.470 5.464 40 5 JKBBRN Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)CC2=O)cc1 ZINC000016292907 556133851 /nfs/dbraw/zinc/13/38/51/556133851.db2.gz HOYWOQPDBJTLCT-SFHVURJKSA-N 0 0 480.904 5.445 40 5 JKBBRN COC(=O)c1cc(Sc2ccccc2[N+](=O)[O-])cc(NC(C)=O)c1Sc1ccccc1[N+](=O)[O-] ZINC000016321143 556134914 /nfs/dbraw/zinc/13/49/14/556134914.db2.gz CGCWGIPJMLFZAB-UHFFFAOYSA-N 0 0 499.526 5.550 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1 ZINC000016323143 556135404 /nfs/dbraw/zinc/13/54/04/556135404.db2.gz LERRFBYKZDYYOQ-UHFFFAOYSA-N 0 0 451.910 6.050 40 5 JKBBRN Cc1ccc(NC(=O)OCc2cccc([N+](=O)[O-])c2)cc1NC(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000016347550 556135973 /nfs/dbraw/zinc/13/59/73/556135973.db2.gz GTXXUMAGCMZITQ-UHFFFAOYSA-N 0 0 480.433 5.309 40 5 JKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016399977 556137770 /nfs/dbraw/zinc/13/77/70/556137770.db2.gz XGCAWWDEPMMCOQ-UHFFFAOYSA-N 0 0 485.481 5.185 40 5 JKBBRN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)sc2Nc2ccc(Cl)cc2)cc1 ZINC000016493384 556141536 /nfs/dbraw/zinc/14/15/36/556141536.db2.gz GLNRPNRMWWWTIP-UHFFFAOYSA-N 0 0 453.976 7.408 40 5 JKBBRN CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016575993 556145000 /nfs/dbraw/zinc/14/50/00/556145000.db2.gz DOQQEQNCXQSJJO-UHFFFAOYSA-N 0 0 460.515 5.653 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610758 556146653 /nfs/dbraw/zinc/14/66/53/556146653.db2.gz PBTNOTZJXFKAIG-CQSZACIVSA-N 0 0 460.446 6.077 40 5 JKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 ZINC000016611481 556148057 /nfs/dbraw/zinc/14/80/57/556148057.db2.gz WMMXFSVJARKOOK-XLHSGLJYSA-N 0 0 492.531 5.310 40 5 JKBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000016682604 556151138 /nfs/dbraw/zinc/15/11/38/556151138.db2.gz XGWLITKRTBMLBC-JOCHJYFZSA-N 0 0 485.327 5.804 40 5 JKBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000016682603 556151185 /nfs/dbraw/zinc/15/11/85/556151185.db2.gz XGWLITKRTBMLBC-QFIPXVFZSA-N 0 0 485.327 5.804 40 5 JKBBRN CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000016688043 556151763 /nfs/dbraw/zinc/15/17/63/556151763.db2.gz SIAZUKNREOTDBD-RIPCNWKXSA-N 0 0 480.417 5.741 40 5 JKBBRN CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000016688042 556151838 /nfs/dbraw/zinc/15/18/38/556151838.db2.gz SIAZUKNREOTDBD-GMWXTNTRSA-N 0 0 480.417 5.741 40 5 JKBBRN CCOC(=O)c1ccc(-c2ccc(COC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1 ZINC000016687897 556151850 /nfs/dbraw/zinc/15/18/50/556151850.db2.gz ZGQGIMCCAAMXQE-UHFFFAOYSA-N 0 0 474.263 5.151 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1 ZINC000016691983 556153427 /nfs/dbraw/zinc/15/34/27/556153427.db2.gz XAMMNIYJZQEUEI-UHFFFAOYSA-N 0 0 496.932 5.582 40 5 JKBBRN CCOc1ccc(C(=O)NC(=S)N(c2ccccc2)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000016692987 556153688 /nfs/dbraw/zinc/15/36/88/556153688.db2.gz GMJGCYZIZMICIG-UHFFFAOYSA-N 0 0 471.538 6.000 40 5 JKBBRN CC(C)(C)[C@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253642 556248337 /nfs/dbraw/zinc/24/83/37/556248337.db2.gz DZQLBFSYEPOYJZ-NIQVJZJISA-N 0 0 471.557 5.909 40 5 JKBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000026124197 556249741 /nfs/dbraw/zinc/24/97/41/556249741.db2.gz YCNRPUVWOMZRRI-WYMLVPIESA-N 0 0 465.469 5.549 40 5 JKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)Nc4nc5c(s4)CCCC5)c3cc2c1 ZINC000013086146 556285896 /nfs/dbraw/zinc/28/58/96/556285896.db2.gz BLPRWAJFASAEPA-UHFFFAOYSA-N 0 0 491.667 6.076 40 5 JKBBRN Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@@H]1C ZINC000013086133 556285915 /nfs/dbraw/zinc/28/59/15/556285915.db2.gz UQKDWTUFJJQMQP-INIZCTEOSA-N 0 0 470.623 6.079 40 5 JKBBRN COc1cc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(Br)c1OCc1ccccc1 ZINC000027563708 556297066 /nfs/dbraw/zinc/29/70/66/556297066.db2.gz JZWOVKKPONTVHL-DHZHZOJOSA-N 0 0 497.345 5.905 40 5 JKBBRN CN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000028209154 556320102 /nfs/dbraw/zinc/32/01/02/556320102.db2.gz XMVPUMXVHDLKTO-UHFFFAOYSA-N 0 0 485.518 5.026 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1 ZINC000019690510 556360340 /nfs/dbraw/zinc/36/03/40/556360340.db2.gz WOZGJUVZJMLJOZ-UHFFFAOYSA-N 0 0 497.351 6.137 40 5 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O=[N+]([O-])c1ccc(/C=C\c2ccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000068563475 569691247 /nfs/dbraw/zinc/69/12/47/569691247.db2.gz CDSARYSJQNNQEW-SFECMWDFSA-N 0 0 462.374 5.660 40 5 JKBBRN CC1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229235 569700611 /nfs/dbraw/zinc/70/06/11/569700611.db2.gz MZXASMGGTCVLRM-UHFFFAOYSA-N 0 0 452.736 5.499 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000072229936 569700744 /nfs/dbraw/zinc/70/07/44/569700744.db2.gz BRISWFRWXANROV-DEOSSOPVSA-N 0 0 478.888 5.851 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000072229906 569700766 /nfs/dbraw/zinc/70/07/66/569700766.db2.gz DFRVHDXFAURFPZ-LJQANCHMSA-N 0 0 473.337 6.450 40 5 JKBBRN CCOc1cc(C=O)cc(I)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000035657389 569706142 /nfs/dbraw/zinc/70/61/42/569706142.db2.gz QRGXAMWTKJGJTQ-UHFFFAOYSA-N 0 0 481.164 5.222 40 5 JKBBRN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000035855306 569716973 /nfs/dbraw/zinc/71/69/73/569716973.db2.gz LTUBORRLMJGHQI-CBUXHAPBSA-N 0 0 499.592 5.030 40 5 JKBBRN CCCCc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000100144171 569753773 /nfs/dbraw/zinc/75/37/73/569753773.db2.gz NELLOWWVGCNFIB-LJAQVGFWSA-N 0 0 483.612 7.364 40 5 JKBBRN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 ZINC000036316844 569763466 /nfs/dbraw/zinc/76/34/66/569763466.db2.gz LTUBORRLMJGHQI-GFXAMXPBSA-N 0 0 499.592 5.030 40 5 JKBBRN O=C(NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)CC1)OCc1ccccc1 ZINC000100763584 569769128 /nfs/dbraw/zinc/76/91/28/569769128.db2.gz MFFYGKRAHKYJFV-TYKWCNGQSA-N 0 0 485.536 5.584 40 5 JKBBRN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101147922 569784664 /nfs/dbraw/zinc/78/46/64/569784664.db2.gz TZGJHJKWADXIOC-GSDHBNRESA-N 0 0 479.492 5.108 40 5 JKBBRN Cc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c(C)c1 ZINC000101239991 569787940 /nfs/dbraw/zinc/78/79/40/569787940.db2.gz XRNUNXKWWYCCAH-ZRBLBEILSA-N 0 0 495.894 5.055 40 5 JKBBRN O=[N+]([O-])c1ccccc1NCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 ZINC000101375727 569795193 /nfs/dbraw/zinc/79/51/93/569795193.db2.gz QKFHVYHQROAPEO-VYIQYICTSA-N 0 0 485.396 6.776 40 5 JKBBRN O=C1NC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000039556238 569810261 /nfs/dbraw/zinc/81/02/61/569810261.db2.gz WSDCHXNEHGXAKC-WSDLNYQXSA-N 0 0 472.888 5.349 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000039759193 569811494 /nfs/dbraw/zinc/81/14/94/569811494.db2.gz OVDYVGCISMSPJR-OUKQBFOZSA-N 0 0 471.498 5.018 40 5 JKBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 ZINC000039756153 569811530 /nfs/dbraw/zinc/81/15/30/569811530.db2.gz ROSRXJSZWBOWIH-UHFFFAOYSA-N 0 0 479.905 5.271 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102706934 569816537 /nfs/dbraw/zinc/81/65/37/569816537.db2.gz SRLUQNQQGCXAOS-SDHOMARFSA-N 0 0 499.910 5.453 40 5 JKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C(=O)N1c1ccccc1 ZINC000102723449 569817391 /nfs/dbraw/zinc/81/73/91/569817391.db2.gz YAGSEIQCOXLKEW-SDHSZQHLSA-N 0 0 497.532 5.374 40 5 JKBBRN O=c1c2cc3c(ccn(C4CCCCCC4)c3=O)nc2ccn1-c1nc(SCc2ccccc2)n[nH]1 ZINC000040398953 569825920 /nfs/dbraw/zinc/82/59/20/569825920.db2.gz FJSSPXKCQYMFIF-UHFFFAOYSA-N 0 0 498.612 5.006 40 5 JKBBRN Cn1c2ccccc2s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 ZINC000103040179 569832233 /nfs/dbraw/zinc/83/22/33/569832233.db2.gz UTPWLDDGDZTAGO-DQSJHHFOSA-N 0 0 486.597 5.348 40 5 JKBBRN Cc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000103764526 569837944 /nfs/dbraw/zinc/83/79/44/569837944.db2.gz KGKGVLITHHMVCX-QHCPKHFHSA-N 0 0 468.340 6.602 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000106681311 569854500 /nfs/dbraw/zinc/85/45/00/569854500.db2.gz OEKPJCXWXWIZLQ-OYKKKHCWSA-N 0 0 469.522 5.834 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106683693 569854526 /nfs/dbraw/zinc/85/45/26/569854526.db2.gz MNNQCCOWAQSHMG-NDENLUEZSA-N 0 0 497.916 5.681 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106685849 569854579 /nfs/dbraw/zinc/85/45/79/569854579.db2.gz XMFXGPZJWMEYOD-NVNXTCNLSA-N 0 0 453.701 5.247 40 5 JKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106688483 569854659 /nfs/dbraw/zinc/85/46/59/569854659.db2.gz JQGJJQRUUGSFHZ-GRSHGNNSSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1 ZINC000106689645 569854669 /nfs/dbraw/zinc/85/46/69/569854669.db2.gz BOLNUSDSABLYGA-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106698426 569854747 /nfs/dbraw/zinc/85/47/47/569854747.db2.gz IGDRBSZQLAFROZ-QRVIBDJDSA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106717948 569854989 /nfs/dbraw/zinc/85/49/89/569854989.db2.gz IABNEWNMWYXBBR-CHHVJCJISA-N 0 0 488.146 5.901 40 5 JKBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1cccc2ccccc21 ZINC000106718608 569855076 /nfs/dbraw/zinc/85/50/76/569855076.db2.gz ZLGOVBZRLWXAPJ-HAHDFKILSA-N 0 0 455.495 5.775 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106722116 569855134 /nfs/dbraw/zinc/85/51/34/569855134.db2.gz MXVGILRNUOPFRF-NVNXTCNLSA-N 0 0 498.152 5.356 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106722582 569855141 /nfs/dbraw/zinc/85/51/41/569855141.db2.gz FYSYNRBDZWZAEV-OYKKKHCWSA-N 0 0 469.522 5.834 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106726837 569855148 /nfs/dbraw/zinc/85/51/48/569855148.db2.gz CYCXDZYXGZUBNT-UUYOSTAYSA-N 0 0 498.919 6.203 40 5 JKBBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC ZINC000106739398 569855375 /nfs/dbraw/zinc/85/53/75/569855375.db2.gz GUBOIMZGBHOMHW-STZFKDTASA-N 0 0 456.520 5.409 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(C)C ZINC000106739518 569855410 /nfs/dbraw/zinc/85/54/10/569855410.db2.gz GQXPNHNQZWMOPU-MTJSOVHGSA-N 0 0 456.520 5.265 40 5 JKBBRN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)o1 ZINC000108005287 569858308 /nfs/dbraw/zinc/85/83/08/569858308.db2.gz GRUJJNMAZYQBIC-GIJQJNRQSA-N 0 0 488.861 5.124 40 5 JKBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108165228 569858901 /nfs/dbraw/zinc/85/89/01/569858901.db2.gz QDUBBEVFXUHXSJ-UHFFFAOYSA-N 0 0 470.721 5.942 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccco1 ZINC000108227538 569859161 /nfs/dbraw/zinc/85/91/61/569859161.db2.gz VODLSQMGIAHRER-UHFFFAOYSA-N 0 0 490.497 5.135 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000113833863 569862134 /nfs/dbraw/zinc/86/21/34/569862134.db2.gz NAQOUDHSHDCEKA-HYARGMPZSA-N 0 0 462.483 5.423 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1C[C@]3(Cl)[N+](=O)[O-] ZINC000118923323 569863660 /nfs/dbraw/zinc/86/36/60/569863660.db2.gz WLCMLNQXGZCMEO-KGIXCLFGSA-N 0 0 452.123 8.320 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000138524274 569865875 /nfs/dbraw/zinc/86/58/75/569865875.db2.gz HRRDTPYGCKINRA-VGNMNXCYSA-N 0 0 491.503 5.296 40 5 JKBBRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000138677405 569866244 /nfs/dbraw/zinc/86/62/44/569866244.db2.gz IICAVMFXQVATMD-DHJUGAMNSA-N 0 0 482.533 5.008 40 5 JKBBRN Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 ZINC000169706875 569871576 /nfs/dbraw/zinc/87/15/76/569871576.db2.gz HNYADDICHTXWIO-NTZWLTRZSA-N 0 0 480.611 5.884 40 5 JKBBRN C[C@@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000195529331 569873523 /nfs/dbraw/zinc/87/35/23/569873523.db2.gz MFWWICBCDMOQEH-SVQXRNPESA-N 0 0 480.590 5.421 40 5 JKBBRN C[C@@H](Sc1nc2ccccc2c(=O)n1[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000195529329 569873543 /nfs/dbraw/zinc/87/35/43/569873543.db2.gz MFWWICBCDMOQEH-MPWIWIEXSA-N 0 0 480.590 5.421 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)o1 ZINC000205658216 569873992 /nfs/dbraw/zinc/87/39/92/569873992.db2.gz ROOBULUJKACOBR-RGVLZGJSSA-N 0 0 481.442 5.008 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205652671 569874022 /nfs/dbraw/zinc/87/40/22/569874022.db2.gz JFVLULZDNUAOJT-VCHYOVAHSA-N 0 0 475.309 6.398 40 5 JKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000205669969 569874048 /nfs/dbraw/zinc/87/40/48/569874048.db2.gz WWCNUIYCVIATLK-RQZCQDPDSA-N 0 0 496.419 5.005 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000205701078 569874160 /nfs/dbraw/zinc/87/41/60/569874160.db2.gz CUZFCOWVBUINAY-RGVLZGJSSA-N 0 0 465.443 5.308 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cccc2ccccc21 ZINC000209534877 569875960 /nfs/dbraw/zinc/87/59/60/569875960.db2.gz UCQINERVFBFHQU-OEAKJJBVSA-N 0 0 456.479 6.245 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1Cc1ccccc1 ZINC000214045176 569876224 /nfs/dbraw/zinc/87/62/24/569876224.db2.gz NVIUPXVVLWLLPP-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000214055313 569876282 /nfs/dbraw/zinc/87/62/82/569876282.db2.gz KBUVKQHZGURROC-BUVRLJJBSA-N 0 0 490.537 5.809 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214079431 569876289 /nfs/dbraw/zinc/87/62/89/569876289.db2.gz ASIMCRFMORVSEA-RGVLZGJSSA-N 0 0 497.916 5.681 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Cl ZINC000214126841 569876336 /nfs/dbraw/zinc/87/63/36/569876336.db2.gz MYZPUVYKPXUESL-UDWIEESQSA-N 0 0 453.907 5.335 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214169925 569876397 /nfs/dbraw/zinc/87/63/97/569876397.db2.gz JWAKMXOAIIFMNL-RGVLZGJSSA-N 0 0 497.916 5.681 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214136863 569876418 /nfs/dbraw/zinc/87/64/18/569876418.db2.gz XOWQJBVYXBLWHS-RGVLZGJSSA-N 0 0 470.890 5.753 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214197901 569876437 /nfs/dbraw/zinc/87/64/37/569876437.db2.gz UXNVFSCUTYUDEN-SRZZPIQSSA-N 0 0 452.463 5.847 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214190098 569876461 /nfs/dbraw/zinc/87/64/61/569876461.db2.gz WIZPWFRXAJEHFQ-SRZZPIQSSA-N 0 0 468.918 6.362 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214208971 569876471 /nfs/dbraw/zinc/87/64/71/569876471.db2.gz OWBPYPXNTQTYTK-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000214215853 569876474 /nfs/dbraw/zinc/87/64/74/569876474.db2.gz CIZUOJFDWZEBMX-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214353019 569876606 /nfs/dbraw/zinc/87/66/06/569876606.db2.gz YCJYFPJBKLCQPW-FSJBWODESA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214424032 569876638 /nfs/dbraw/zinc/87/66/38/569876638.db2.gz QXBKOEOYBNSLQJ-YDZHTSKRSA-N 0 0 464.373 7.536 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)o1 ZINC000214489979 569876697 /nfs/dbraw/zinc/87/66/97/569876697.db2.gz LTPQKDMIBXJOHT-CIAFOILYSA-N 0 0 450.472 5.408 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214627758 569876816 /nfs/dbraw/zinc/87/68/16/569876816.db2.gz IVIGGIDPMDHZRH-CIAFOILYSA-N 0 0 450.472 5.408 40 5 JKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214824537 569877039 /nfs/dbraw/zinc/87/70/39/569877039.db2.gz CJXRRAXSJWNDNV-YDZHTSKRSA-N 0 0 464.373 7.536 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214906095 569877054 /nfs/dbraw/zinc/87/70/54/569877054.db2.gz XLINKLPHNHURSW-XQNSMLJCSA-N 0 0 476.510 5.289 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214897162 569877065 /nfs/dbraw/zinc/87/70/65/569877065.db2.gz AWRWTEJAMNNCKH-LPYMAVHISA-N 0 0 491.481 5.319 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214979709 569877089 /nfs/dbraw/zinc/87/70/89/569877089.db2.gz VSPQPJQMMNVMJR-VXLYETTFSA-N 0 0 485.861 5.653 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214900822 569877096 /nfs/dbraw/zinc/87/70/96/569877096.db2.gz XBZAYGYOCQTTRL-LPYMAVHISA-N 0 0 491.481 5.319 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214990337 569877122 /nfs/dbraw/zinc/87/71/22/569877122.db2.gz UNHKXMMKHLQTTB-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214988660 569877132 /nfs/dbraw/zinc/87/71/32/569877132.db2.gz RHDNYNZKQJLGRQ-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)c([N+](=O)[O-])c1 ZINC000214991892 569877135 /nfs/dbraw/zinc/87/71/35/569877135.db2.gz CGECBDOENSVBOE-RGVLZGJSSA-N 0 0 465.443 5.308 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214990430 569877143 /nfs/dbraw/zinc/87/71/43/569877143.db2.gz AVKYIYWJAPSWSB-YBFXNURJSA-N 0 0 474.416 6.110 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccccc1Br ZINC000215061035 569877157 /nfs/dbraw/zinc/87/71/57/569877157.db2.gz ILQWCWIWWYXNNT-UDWIEESQSA-N 0 0 498.358 5.444 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215112787 569877214 /nfs/dbraw/zinc/87/72/14/569877214.db2.gz JZBXORFNGQOMJV-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215149685 569877246 /nfs/dbraw/zinc/87/72/46/569877246.db2.gz GDHODWMLWSPGBD-DJKKODMXSA-N 0 0 493.299 6.537 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215120341 569877250 /nfs/dbraw/zinc/87/72/50/569877250.db2.gz HQBCDSMJFJREBQ-DJKKODMXSA-N 0 0 493.299 6.537 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215255631 569877262 /nfs/dbraw/zinc/87/72/62/569877262.db2.gz BOFFXUYEFWPISZ-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)o2)cc1[N+](=O)[O-] ZINC000215212639 569877272 /nfs/dbraw/zinc/87/72/72/569877272.db2.gz QSNYSCHEONYTDZ-ODCIPOBUSA-N 0 0 498.900 5.782 40 5 JKBBRN CCOC(=O)c1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Cl ZINC000216292053 569878189 /nfs/dbraw/zinc/87/81/89/569878189.db2.gz GJKLYMYEKDYSDM-XSFVSMFZSA-N 0 0 450.878 5.604 40 5 JKBBRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2cc3oc(=O)c4ccccc4c3cc2Cl)CC1 ZINC000217534420 569880214 /nfs/dbraw/zinc/88/02/14/569880214.db2.gz FBVMHQYLXVTJPK-IYBDPMFKSA-N 0 0 485.964 5.836 40 5 JKBBRN CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 ZINC000222716318 569889385 /nfs/dbraw/zinc/88/93/85/569889385.db2.gz GIUAJPMCSYTDJS-KHIBUBOWSA-N 0 0 450.520 5.238 40 5 JKBBRN CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 ZINC000222716204 569889387 /nfs/dbraw/zinc/88/93/87/569889387.db2.gz GIUAJPMCSYTDJS-YKAGIRRDSA-N 0 0 450.520 5.238 40 5 JKBBRN COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C(C)C ZINC000223270264 569905579 /nfs/dbraw/zinc/90/55/79/569905579.db2.gz FNPKKUOYNJVMGU-NTRYICDMSA-N 0 0 458.558 6.453 40 5 JKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223362438 569908754 /nfs/dbraw/zinc/90/87/54/569908754.db2.gz JUEAQDAJIFCDFN-NRFANRHFSA-N 0 0 492.041 5.204 40 5 JKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223377104 569909358 /nfs/dbraw/zinc/90/93/58/569909358.db2.gz UYWISHQMMANCGH-WXVAWEFUSA-N 0 0 487.600 5.001 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223399777 569909849 /nfs/dbraw/zinc/90/98/49/569909849.db2.gz DPPRCVQAURJIBP-RPWUZVMVSA-N 0 0 456.527 5.423 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223406922 569910157 /nfs/dbraw/zinc/91/01/57/569910157.db2.gz CFUVXHXCTQPFDQ-ZEQRLZLVSA-N 0 0 456.527 5.423 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223406787 569910166 /nfs/dbraw/zinc/91/01/66/569910166.db2.gz CFUVXHXCTQPFDQ-DNQXCXABSA-N 0 0 456.527 5.423 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 ZINC000223406719 569910196 /nfs/dbraw/zinc/91/01/96/569910196.db2.gz ITUGWKCLKDPDGG-ZEQRLZLVSA-N 0 0 456.527 5.423 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223446210 569911632 /nfs/dbraw/zinc/91/16/32/569911632.db2.gz FNQASHCNXUWEIF-RPBOFIJWSA-N 0 0 486.553 5.431 40 5 JKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223452220 569911812 /nfs/dbraw/zinc/91/18/12/569911812.db2.gz XSJTZNKLQFTOTC-LJQANCHMSA-N 0 0 480.392 5.166 40 5 JKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223782738 569923197 /nfs/dbraw/zinc/92/31/97/569923197.db2.gz OPUCXQPATCPDGN-ZEQRLZLVSA-N 0 0 472.526 5.436 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223829864 569924571 /nfs/dbraw/zinc/92/45/71/569924571.db2.gz IFMRVRLSAFBHGG-RPBOFIJWSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223830059 569924594 /nfs/dbraw/zinc/92/45/94/569924594.db2.gz HGPALJHWEJRCRU-DQEYMECFSA-N 0 0 485.569 5.356 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223880981 569926078 /nfs/dbraw/zinc/92/60/78/569926078.db2.gz VQCYRGUTTFWNHL-GOTSBHOMSA-N 0 0 458.499 5.133 40 5 JKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223902693 569926722 /nfs/dbraw/zinc/92/67/22/569926722.db2.gz RQVWEJCNQDTYLG-HXUWFJFHSA-N 0 0 480.392 5.168 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223908393 569926914 /nfs/dbraw/zinc/92/69/14/569926914.db2.gz MSNCLIWOUGEEPQ-RPBOFIJWSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223908627 569926929 /nfs/dbraw/zinc/92/69/29/569926929.db2.gz PYRZFHBRVSGRRM-RPBOFIJWSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223918187 569927242 /nfs/dbraw/zinc/92/72/42/569927242.db2.gz IBDVVYJPLGBIKJ-DQEYMECFSA-N 0 0 485.569 5.493 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223918495 569927256 /nfs/dbraw/zinc/92/72/56/569927256.db2.gz JKNXNTMNWYRXGA-LOSJGSFVSA-N 0 0 485.569 5.493 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223997778 569929863 /nfs/dbraw/zinc/92/98/63/569929863.db2.gz DZWXDGJSYPPNNT-DQEYMECFSA-N 0 0 499.552 5.385 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223998063 569929901 /nfs/dbraw/zinc/92/99/01/569929901.db2.gz DQBUQQFDGTZMDF-RPBOFIJWSA-N 0 0 499.552 5.385 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224029168 569931180 /nfs/dbraw/zinc/93/11/80/569931180.db2.gz VJGFKFHTMVGEMB-BJKOFHAPSA-N 0 0 486.509 5.156 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224185215 569935649 /nfs/dbraw/zinc/93/56/49/569935649.db2.gz PENFXJBLQVLKAB-ZEQRLZLVSA-N 0 0 472.526 5.436 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224213151 569936706 /nfs/dbraw/zinc/93/67/06/569936706.db2.gz JJCBYBWLUWAYKA-ZEQRLZLVSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224213094 569936716 /nfs/dbraw/zinc/93/67/16/569936716.db2.gz YUXDMLBJGPOVSN-DNQXCXABSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224213013 569936737 /nfs/dbraw/zinc/93/67/37/569936737.db2.gz YUXDMLBJGPOVSN-RPWUZVMVSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224213047 569936748 /nfs/dbraw/zinc/93/67/48/569936748.db2.gz YUXDMLBJGPOVSN-BJKOFHAPSA-N 0 0 455.543 5.266 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 ZINC000224218874 569936949 /nfs/dbraw/zinc/93/69/49/569936949.db2.gz BLKGSFTYAPIOCW-DQEYMECFSA-N 0 0 486.553 5.744 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224245449 569937905 /nfs/dbraw/zinc/93/79/05/569937905.db2.gz RYOXJGODGZGYHI-DNQXCXABSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224245594 569937955 /nfs/dbraw/zinc/93/79/55/569937955.db2.gz WSKOYAHHEPGMJD-BJKOFHAPSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224248053 569938038 /nfs/dbraw/zinc/93/80/38/569938038.db2.gz CWLMVSGLKKBFSB-BJKOFHAPSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224248105 569938043 /nfs/dbraw/zinc/93/80/43/569938043.db2.gz CWLMVSGLKKBFSB-DNQXCXABSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000224278619 569939057 /nfs/dbraw/zinc/93/90/57/569939057.db2.gz AYNZWEIUJWPMOS-DQEYMECFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000224278747 569939068 /nfs/dbraw/zinc/93/90/68/569939068.db2.gz AYNZWEIUJWPMOS-JWQCQUIFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000224287415 569939398 /nfs/dbraw/zinc/93/93/98/569939398.db2.gz CMSHGVYFKWFLKV-LOSJGSFVSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224313226 569940107 /nfs/dbraw/zinc/94/01/07/569940107.db2.gz MCBNOXOFFGSRNE-LOSJGSFVSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224315622 569940253 /nfs/dbraw/zinc/94/02/53/569940253.db2.gz RIZJRJGEFBRCBE-DQEYMECFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224322119 569940505 /nfs/dbraw/zinc/94/05/05/569940505.db2.gz JLGWIBLGYKILSP-RPBOFIJWSA-N 0 0 470.554 6.044 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224345733 569941306 /nfs/dbraw/zinc/94/13/06/569941306.db2.gz KTHDXBZXYUHAHS-LOSJGSFVSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224348105 569941434 /nfs/dbraw/zinc/94/14/34/569941434.db2.gz SHQOOYOHLJRIJG-DQEYMECFSA-N 0 0 470.554 5.989 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224354903 569941698 /nfs/dbraw/zinc/94/16/98/569941698.db2.gz ZNRRVLOPLLMZQZ-JWQCQUIFSA-N 0 0 470.554 5.989 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224354717 569941699 /nfs/dbraw/zinc/94/16/99/569941699.db2.gz ANQAHXJPDVQWOH-JWQCQUIFSA-N 0 0 470.554 5.989 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224377954 569942534 /nfs/dbraw/zinc/94/25/34/569942534.db2.gz DLCMXWGCJHAYBT-FTJBHMTQSA-N 0 0 483.597 6.081 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224378092 569942538 /nfs/dbraw/zinc/94/25/38/569942538.db2.gz KSSRULBACFGCLS-UIOOFZCWSA-N 0 0 483.597 6.081 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224409554 569943658 /nfs/dbraw/zinc/94/36/58/569943658.db2.gz FIGJZTWEVLKYGI-PKTZIBPZSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224409501 569943673 /nfs/dbraw/zinc/94/36/73/569943673.db2.gz FIGJZTWEVLKYGI-DHIUTWEWSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224409785 569943714 /nfs/dbraw/zinc/94/37/14/569943714.db2.gz NWJABVQZOFLTJB-XZOQPEGZSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224409822 569943723 /nfs/dbraw/zinc/94/37/23/569943723.db2.gz NWJABVQZOFLTJB-GOTSBHOMSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 ZINC000224412022 569943805 /nfs/dbraw/zinc/94/38/05/569943805.db2.gz XJNYBLAIYLFYDM-XZOQPEGZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 ZINC000224418361 569943955 /nfs/dbraw/zinc/94/39/55/569943955.db2.gz LUEFCOOXTQFHSQ-XZOQPEGZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224443111 569944682 /nfs/dbraw/zinc/94/46/82/569944682.db2.gz JJUVPWRYAYPPTO-GOTSBHOMSA-N 0 0 459.506 5.097 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 ZINC000224448625 569944860 /nfs/dbraw/zinc/94/48/60/569944860.db2.gz PWZJZUQEHYEZHG-DNQXCXABSA-N 0 0 490.516 5.575 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 ZINC000224451703 569944962 /nfs/dbraw/zinc/94/49/62/569944962.db2.gz RACSCUPHXNYNFJ-DHIUTWEWSA-N 0 0 460.490 5.566 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224453777 569944982 /nfs/dbraw/zinc/94/49/82/569944982.db2.gz MYGNEJMCBVJSLM-NRFANRHFSA-N 0 0 492.403 5.310 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224474626 569945584 /nfs/dbraw/zinc/94/55/84/569945584.db2.gz LEVQLGXVIFPSAQ-DHIUTWEWSA-N 0 0 475.961 5.611 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224476664 569945665 /nfs/dbraw/zinc/94/56/65/569945665.db2.gz ILHNYAWJOONRCL-XZOQPEGZSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224476710 569945673 /nfs/dbraw/zinc/94/56/73/569945673.db2.gz ILHNYAWJOONRCL-GOTSBHOMSA-N 0 0 476.945 6.080 40 5 JKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224493259 569946183 /nfs/dbraw/zinc/94/61/83/569946183.db2.gz YHGVHJBENDZWDJ-OAQYLSRUSA-N 0 0 492.403 5.310 40 5 JKBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224545490 569947869 /nfs/dbraw/zinc/94/78/69/569947869.db2.gz GBVPRKCHWVJARF-ZEQRLZLVSA-N 0 0 472.526 5.436 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224559910 569948425 /nfs/dbraw/zinc/94/84/25/569948425.db2.gz CJDBXBFTHOBTLB-UHFFFAOYSA-N 0 0 482.536 6.800 40 5 JKBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000224588961 569949704 /nfs/dbraw/zinc/94/97/04/569949704.db2.gz IRWYYUFEHGJYJV-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 ZINC000224616934 569950948 /nfs/dbraw/zinc/95/09/48/569950948.db2.gz CDDBMLILDHTNSJ-XZOQPEGZSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 ZINC000224623643 569951256 /nfs/dbraw/zinc/95/12/56/569951256.db2.gz ZSVZKWBFZZDXDG-DHIUTWEWSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1 ZINC000224624001 569951272 /nfs/dbraw/zinc/95/12/72/569951272.db2.gz JBAJRQOQGINFID-GOTSBHOMSA-N 0 0 458.499 5.133 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc2ccccc2c1 ZINC000224646277 569952152 /nfs/dbraw/zinc/95/21/52/569952152.db2.gz IBWKOSHGDSDQOO-UHFFFAOYSA-N 0 0 456.498 6.286 40 5 JKBBRN Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)S(C)(=O)=O)c1 ZINC000224684900 569953568 /nfs/dbraw/zinc/95/35/68/569953568.db2.gz FLIBYGFYWCFUMY-UHFFFAOYSA-N 0 0 487.965 5.084 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1 ZINC000224760189 569956436 /nfs/dbraw/zinc/95/64/36/569956436.db2.gz OGRJKHNOMWPBGY-GOTSBHOMSA-N 0 0 474.567 5.911 40 5 JKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224851191 569960349 /nfs/dbraw/zinc/96/03/49/569960349.db2.gz MOGKZXPJEVSSFF-INIZCTEOSA-N 0 0 492.403 5.310 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224879207 569961516 /nfs/dbraw/zinc/96/15/16/569961516.db2.gz RCKBMUYYZRGYHO-DHIUTWEWSA-N 0 0 491.960 5.317 40 5 JKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224881535 569961678 /nfs/dbraw/zinc/96/16/78/569961678.db2.gz WCYYSNPJBNAXBD-HNNXBMFYSA-N 0 0 498.432 5.078 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 ZINC000224881274 569961729 /nfs/dbraw/zinc/96/17/29/569961729.db2.gz KMORXUVTJRITEM-DHIUTWEWSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 ZINC000224887426 569961880 /nfs/dbraw/zinc/96/18/80/569961880.db2.gz BALQOEMNPSHEND-XZOQPEGZSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 ZINC000224887213 569961886 /nfs/dbraw/zinc/96/18/86/569961886.db2.gz NPBMPCFBKHGKTC-PKTZIBPZSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 ZINC000224887251 569961940 /nfs/dbraw/zinc/96/19/40/569961940.db2.gz NPBMPCFBKHGKTC-XZOQPEGZSA-N 0 0 492.944 5.786 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000224908541 569962874 /nfs/dbraw/zinc/96/28/74/569962874.db2.gz HECPNSCMXQBRMT-BJKOFHAPSA-N 0 0 473.533 5.405 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F ZINC000224908407 569962916 /nfs/dbraw/zinc/96/29/16/569962916.db2.gz OZCLKDRQCOTHOP-DNQXCXABSA-N 0 0 473.533 5.405 40 5 JKBBRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224914335 569963213 /nfs/dbraw/zinc/96/32/13/569963213.db2.gz XEKKVNCJPTZESM-HNNXBMFYSA-N 0 0 498.432 5.078 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000224916932 569963316 /nfs/dbraw/zinc/96/33/16/569963316.db2.gz ZLTASYFHRDQFNC-RPWUZVMVSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000224916975 569963319 /nfs/dbraw/zinc/96/33/19/569963319.db2.gz ZLTASYFHRDQFNC-BJKOFHAPSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000224916893 569963339 /nfs/dbraw/zinc/96/33/39/569963339.db2.gz ZLTASYFHRDQFNC-ZEQRLZLVSA-N 0 0 474.517 5.874 40 5 JKBBRN CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000224937593 569964104 /nfs/dbraw/zinc/96/41/04/569964104.db2.gz QSOVNVSGOUWBJT-QGZVFWFLSA-N 0 0 496.029 5.161 40 5 JKBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000224937399 569964126 /nfs/dbraw/zinc/96/41/26/569964126.db2.gz JEYHAFZRFJEFHZ-UHFFFAOYSA-N 0 0 496.029 5.159 40 5 JKBBRN CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000408595202 569965955 /nfs/dbraw/zinc/96/59/55/569965955.db2.gz LCRBCEHGZUAEQZ-UHFFFAOYSA-N 0 0 487.335 5.357 40 5 JKBBRN O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408599745 569968175 /nfs/dbraw/zinc/96/81/75/569968175.db2.gz JZOQLMHXPOWISP-UHFFFAOYSA-N 0 0 477.933 5.498 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408603015 569969748 /nfs/dbraw/zinc/96/97/48/569969748.db2.gz AGGNWYXVMLVQRC-UHFFFAOYSA-N 0 0 463.368 5.935 40 5 JKBBRN COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408603884 569970182 /nfs/dbraw/zinc/97/01/82/569970182.db2.gz DIVSTSWCEQZVAY-UHFFFAOYSA-N 0 0 491.769 6.519 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000408605684 569970796 /nfs/dbraw/zinc/97/07/96/569970796.db2.gz GKYPLJQFZLDQBC-UHFFFAOYSA-N 0 0 455.898 5.195 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225036720 569970832 /nfs/dbraw/zinc/97/08/32/569970832.db2.gz IMOCXMOAOPGTBM-VWLOTQADSA-N 0 0 497.661 5.393 40 5 JKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)ccc1OC ZINC000408606209 569971141 /nfs/dbraw/zinc/97/11/41/569971141.db2.gz PFERNDMOTKHZPU-RMKNXTFCSA-N 0 0 487.896 5.140 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)cc1 ZINC000408609149 569971987 /nfs/dbraw/zinc/97/19/87/569971987.db2.gz OHXGPVZTXBHYCX-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000408609155 569972006 /nfs/dbraw/zinc/97/20/06/569972006.db2.gz OJMMINODRGVGKR-UHFFFAOYSA-N 0 0 463.331 6.702 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000408609132 569972022 /nfs/dbraw/zinc/97/20/22/569972022.db2.gz OFSCWOMWCTZHJP-UHFFFAOYSA-N 0 0 463.331 6.702 40 5 JKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408609784 569972239 /nfs/dbraw/zinc/97/22/39/569972239.db2.gz OSYPGRUPADYESX-UHFFFAOYSA-N 0 0 465.308 6.631 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225055328 569972278 /nfs/dbraw/zinc/97/22/78/569972278.db2.gz KLQOVDLNVAPPGI-CLJLJLNGSA-N 0 0 499.596 5.725 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408610728 569972557 /nfs/dbraw/zinc/97/25/57/569972557.db2.gz RWVWSVHDAXXGJM-UHFFFAOYSA-N 0 0 493.357 6.710 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 ZINC000225061307 569972762 /nfs/dbraw/zinc/97/27/62/569972762.db2.gz MCCZUVRWLPIYTE-CLJLJLNGSA-N 0 0 499.596 5.725 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408613092 569973142 /nfs/dbraw/zinc/97/31/42/569973142.db2.gz XKCRGQPWDWJVAO-UHFFFAOYSA-N 0 0 458.268 5.457 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408613635 569973374 /nfs/dbraw/zinc/97/33/74/569973374.db2.gz ZBFZZLOLBSHWOX-UHFFFAOYSA-N 0 0 455.898 5.195 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F ZINC000408613630 569973419 /nfs/dbraw/zinc/97/34/19/569973419.db2.gz ZAMGZBKNTYNDGT-UHFFFAOYSA-N 0 0 475.314 6.086 40 5 JKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225131444 569977011 /nfs/dbraw/zinc/97/70/11/569977011.db2.gz CIUWKJJCXIWBKX-JOCHJYFZSA-N 0 0 471.985 5.047 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225131400 569977037 /nfs/dbraw/zinc/97/70/37/569977037.db2.gz CIUWKJJCXIWBKX-QFIPXVFZSA-N 0 0 471.985 5.047 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225161045 569979281 /nfs/dbraw/zinc/97/92/81/569979281.db2.gz VVYIZVGLJZZYTR-QFIPXVFZSA-N 0 0 471.985 5.047 40 5 JKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225229193 569984239 /nfs/dbraw/zinc/98/42/39/569984239.db2.gz XVMQBNSPFKFESW-MUUNZHRXSA-N 0 0 499.611 5.226 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O ZINC000408638695 569988045 /nfs/dbraw/zinc/98/80/45/569988045.db2.gz CZBAXGFFFDJCKN-OAHLLOKOSA-N 0 0 481.892 5.041 40 5 JKBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408642538 569989867 /nfs/dbraw/zinc/98/98/67/569989867.db2.gz OTWCDGBKNFJIRQ-LJQANCHMSA-N 0 0 487.556 5.985 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225352862 569992347 /nfs/dbraw/zinc/99/23/47/569992347.db2.gz KKWJOPIUFCYVDR-UIOOFZCWSA-N 0 0 499.596 5.745 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225352773 569992362 /nfs/dbraw/zinc/99/23/62/569992362.db2.gz AQUOMLPFICGHDD-IZZNHLLZSA-N 0 0 499.596 5.745 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225352708 569992408 /nfs/dbraw/zinc/99/24/08/569992408.db2.gz AQUOMLPFICGHDD-UIOOFZCWSA-N 0 0 499.596 5.745 40 5 JKBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000408669568 570006620 /nfs/dbraw/zinc/00/66/20/570006620.db2.gz WWMJHBRWMYKLGT-GERBCZOESA-N 0 0 496.560 5.316 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000408670669 570007194 /nfs/dbraw/zinc/00/71/94/570007194.db2.gz IYCWLECBWVLBKM-UHFFFAOYSA-N 0 0 467.481 6.200 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225588275 570007955 /nfs/dbraw/zinc/00/79/55/570007955.db2.gz RCRKJJIJMDNVNW-VGSWGCGISA-N 0 0 492.041 5.204 40 5 JKBBRN CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225595972 570008509 /nfs/dbraw/zinc/00/85/09/570008509.db2.gz GVUCDAOFMUZIOB-OAHLLOKOSA-N 0 0 498.432 5.077 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000408673896 570008938 /nfs/dbraw/zinc/00/89/38/570008938.db2.gz VZVUPNMPJPBIHQ-UHFFFAOYSA-N 0 0 467.481 6.200 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225616246 570009931 /nfs/dbraw/zinc/00/99/31/570009931.db2.gz LNTHZLGCWRNOAK-JTSKRJEESA-N 0 0 492.041 5.204 40 5 JKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225616184 570009935 /nfs/dbraw/zinc/00/99/35/570009935.db2.gz LNTHZLGCWRNOAK-HTAPYJJXSA-N 0 0 492.041 5.204 40 5 JKBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 ZINC000408677666 570011040 /nfs/dbraw/zinc/01/10/40/570011040.db2.gz DXWDLROCFFQEKG-DQEYMECFSA-N 0 0 481.508 5.360 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2Cl)cc1 ZINC000408677875 570011103 /nfs/dbraw/zinc/01/11/03/570011103.db2.gz CDQDGJWBEUJSEP-JOCHJYFZSA-N 0 0 478.353 5.998 40 5 JKBBRN CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225633095 570011125 /nfs/dbraw/zinc/01/11/25/570011125.db2.gz KAVVUSRDVVJMID-OAHLLOKOSA-N 0 0 498.432 5.077 40 5 JKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225670800 570013714 /nfs/dbraw/zinc/01/37/14/570013714.db2.gz CIGOLKZJJOSZTQ-MGPUTAFESA-N 0 0 480.392 5.166 40 5 JKBBRN O=C(Nc1ccccc1C(=O)N1[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000408686774 570014173 /nfs/dbraw/zinc/01/41/73/570014173.db2.gz SUAMGBQQIMPRGO-WKEDTZOBSA-N 0 0 491.503 5.296 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225698402 570015886 /nfs/dbraw/zinc/01/58/86/570015886.db2.gz RXNIGIUVPMQHHA-FOIQADDNSA-N 0 0 480.392 5.166 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225698450 570015913 /nfs/dbraw/zinc/01/59/13/570015913.db2.gz RXNIGIUVPMQHHA-QRWLVFNGSA-N 0 0 480.392 5.166 40 5 JKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225698428 570015915 /nfs/dbraw/zinc/01/59/15/570015915.db2.gz RXNIGIUVPMQHHA-MGPUTAFESA-N 0 0 480.392 5.166 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1 ZINC000408693808 570016399 /nfs/dbraw/zinc/01/63/99/570016399.db2.gz FBXSNCVITLTCCN-UHFFFAOYSA-N 0 0 498.724 5.511 40 5 JKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1 ZINC000408694712 570017131 /nfs/dbraw/zinc/01/71/31/570017131.db2.gz LYULMJRTROXXJR-UHFFFAOYSA-N 0 0 478.306 5.166 40 5 JKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)c(Cl)c2)cc1 ZINC000408694700 570017158 /nfs/dbraw/zinc/01/71/58/570017158.db2.gz LWCUADMXNCYLEJ-UHFFFAOYSA-N 0 0 468.300 5.710 40 5 JKBBRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000408694760 570017314 /nfs/dbraw/zinc/01/73/14/570017314.db2.gz MHRXTXKVLXZNJK-UHFFFAOYSA-N 0 0 451.845 5.196 40 5 JKBBRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1 ZINC000408694780 570017333 /nfs/dbraw/zinc/01/73/33/570017333.db2.gz MLFYISLONJKHBV-UHFFFAOYSA-N 0 0 492.333 5.474 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225726234 570018136 /nfs/dbraw/zinc/01/81/36/570018136.db2.gz LBGZDRSCKVKESQ-YWZLYKJASA-N 0 0 480.392 5.166 40 5 JKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OCC ZINC000225757111 570020347 /nfs/dbraw/zinc/02/03/47/570020347.db2.gz JZNVCMAQVUFRIY-UHFFFAOYSA-N 0 0 454.523 5.401 40 5 JKBBRN CCN(c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701654 570021992 /nfs/dbraw/zinc/02/19/92/570021992.db2.gz BSIRQILPISACFC-UHFFFAOYSA-N 0 0 485.587 5.093 40 5 JKBBRN Cc1c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC000408702321 570022448 /nfs/dbraw/zinc/02/24/48/570022448.db2.gz BGDZFRAGTLTVLM-DEOSSOPVSA-N 0 0 481.961 5.583 40 5 JKBBRN CCN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(=O)(=O)c1ccc(C)cc1 ZINC000225854630 570025049 /nfs/dbraw/zinc/02/50/49/570025049.db2.gz DLUATRAXFWUPJG-UHFFFAOYSA-N 0 0 495.582 5.585 40 5 JKBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 ZINC000408729740 570028815 /nfs/dbraw/zinc/02/88/15/570028815.db2.gz CHIMMXHLQDQWLU-UHFFFAOYSA-N 0 0 459.505 6.972 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 ZINC000408733014 570029663 /nfs/dbraw/zinc/02/96/63/570029663.db2.gz VBBUXNYLZMBLHN-UHFFFAOYSA-N 0 0 459.505 6.972 40 5 JKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 ZINC000408733307 570029751 /nfs/dbraw/zinc/02/97/51/570029751.db2.gz XGOUMDKIRCBBQH-UHFFFAOYSA-N 0 0 493.950 7.625 40 5 JKBBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408735217 570030096 /nfs/dbraw/zinc/03/00/96/570030096.db2.gz OSBDZPKKEGZZNW-UHFFFAOYSA-N 0 0 463.515 5.439 40 5 JKBBRN Cc1cccc(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c1 ZINC000408750454 570033937 /nfs/dbraw/zinc/03/39/37/570033937.db2.gz NEIQLHFZLXXHKT-UHFFFAOYSA-N 0 0 461.524 5.606 40 5 JKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 ZINC000408750922 570034185 /nfs/dbraw/zinc/03/41/85/570034185.db2.gz UBNAWSNERDBTEB-UHFFFAOYSA-N 0 0 465.487 5.437 40 5 JKBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000408752780 570034727 /nfs/dbraw/zinc/03/47/27/570034727.db2.gz GTSFDIVUDZWNDA-MWKZZOCJSA-N 0 0 486.527 5.833 40 5 JKBBRN CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000408752768 570034756 /nfs/dbraw/zinc/03/47/56/570034756.db2.gz GTSFDIVUDZWNDA-AXLDUSBXSA-N 0 0 486.527 5.833 40 5 JKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408756606 570035652 /nfs/dbraw/zinc/03/56/52/570035652.db2.gz IBVGUVMBWOBLDZ-UHFFFAOYSA-N 0 0 471.900 6.562 40 5 JKBBRN O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 ZINC000408757897 570036104 /nfs/dbraw/zinc/03/61/04/570036104.db2.gz RYDUXZJDNYRHOM-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000226333891 570037518 /nfs/dbraw/zinc/03/75/18/570037518.db2.gz CRYDTGWOULSLPD-CTHUERKZSA-N 0 0 460.961 7.124 40 5 JKBBRN CN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C1=O ZINC000408766741 570038097 /nfs/dbraw/zinc/03/80/97/570038097.db2.gz FUFFOUBPCWGXRM-VIZOYTHASA-N 0 0 458.801 5.725 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Cc1ccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409175889 570156821 /nfs/dbraw/zinc/15/68/21/570156821.db2.gz DDMWKQACKBJIRR-NDEPHWFRSA-N 0 0 481.504 6.263 40 5 JKBBRN COc1cc(CNc2ccc(Cl)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409175961 570156859 /nfs/dbraw/zinc/15/68/59/570156859.db2.gz GAIBCOBUSZXUPK-UHFFFAOYSA-N 0 0 452.816 6.680 40 5 JKBBRN O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000409176128 570156969 /nfs/dbraw/zinc/15/69/69/570156969.db2.gz HYRQHJQQINSRFT-AREMUKBSSA-N 0 0 480.476 5.628 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409176383 570156980 /nfs/dbraw/zinc/15/69/80/570156980.db2.gz MBCCNBRYYKJKLF-VWLOTQADSA-N 0 0 480.904 5.443 40 5 JKBBRN CC(C)(C)c1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000409177107 570157426 /nfs/dbraw/zinc/15/74/26/570157426.db2.gz ARKZFJRSYZUURB-SANMLTNESA-N 0 0 473.569 6.971 40 5 JKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409177769 570157684 /nfs/dbraw/zinc/15/76/84/570157684.db2.gz GYMBDXTZFFHNOP-UHFFFAOYSA-N 0 0 475.284 5.276 40 5 JKBBRN O=C(Nc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)OCc1cccc([N+](=O)[O-])c1 ZINC000409178377 570157895 /nfs/dbraw/zinc/15/78/95/570157895.db2.gz LRWOJPLGZYUVBS-UHFFFAOYSA-N 0 0 459.483 5.328 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000409178411 570157974 /nfs/dbraw/zinc/15/79/74/570157974.db2.gz HLMBBLMBIDXVHK-FQEVSTJZSA-N 0 0 474.694 5.792 40 5 JKBBRN COc1ccccc1OCc1ccc(C(=O)Oc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409178996 570158091 /nfs/dbraw/zinc/15/80/91/570158091.db2.gz MIUDCUZEKADELF-UHFFFAOYSA-N 0 0 471.465 6.194 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409180128 570158697 /nfs/dbraw/zinc/15/86/97/570158697.db2.gz VYATYFBUDLSNAD-SANMLTNESA-N 0 0 498.447 6.076 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409180069 570158711 /nfs/dbraw/zinc/15/87/11/570158711.db2.gz VEYDVAQAJTUFOX-NHDPSOOVSA-N 0 0 452.463 5.847 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000409179986 570158721 /nfs/dbraw/zinc/15/87/21/570158721.db2.gz SKDKVGYJTZRDIA-MHZLTWQESA-N 0 0 463.445 5.587 40 5 JKBBRN COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(Cl)cc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409180162 570158777 /nfs/dbraw/zinc/15/87/77/570158777.db2.gz UQSAAWKXRLALSN-VWLOTQADSA-N 0 0 496.903 5.143 40 5 JKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409180161 570158809 /nfs/dbraw/zinc/15/88/09/570158809.db2.gz PUOIHZXMXKGFSI-UHFFFAOYSA-N 0 0 473.506 5.622 40 5 JKBBRN Cc1onc(-c2ccccc2Cl)c1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409180540 570158888 /nfs/dbraw/zinc/15/88/88/570158888.db2.gz WOGYLFGOQUAUAY-XMMPIXPASA-N 0 0 476.872 5.993 40 5 JKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000409180583 570158891 /nfs/dbraw/zinc/15/88/91/570158891.db2.gz XJAMSGKOBDRWEQ-XMMPIXPASA-N 0 0 466.877 5.134 40 5 JKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000409180668 570158948 /nfs/dbraw/zinc/15/89/48/570158948.db2.gz YAAUJLLUUMVYSI-UHFFFAOYSA-N 0 0 461.477 6.229 40 5 JKBBRN Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409180917 570159082 /nfs/dbraw/zinc/15/90/82/570159082.db2.gz UVEPWPWKEGWSIS-UHFFFAOYSA-N 0 0 497.503 6.314 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cn2nnc3ccccc32)cc1 ZINC000409181081 570159192 /nfs/dbraw/zinc/15/91/92/570159192.db2.gz VQVYGTJZUCAQRI-HHHXNRCGSA-N 0 0 492.491 5.169 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000409181064 570159228 /nfs/dbraw/zinc/15/92/28/570159228.db2.gz VJCURPPFULZHOV-UHFFFAOYSA-N 0 0 476.488 6.959 40 5 JKBBRN Cc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1[N+](=O)[O-] ZINC000409181561 570159370 /nfs/dbraw/zinc/15/93/70/570159370.db2.gz CONJZWNSQKKCSL-UHFFFAOYSA-N 0 0 484.302 5.284 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409181520 570159399 /nfs/dbraw/zinc/15/93/99/570159399.db2.gz CLAUHTSOUHBMOK-HXUWFJFHSA-N 0 0 475.240 5.591 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181643 570159465 /nfs/dbraw/zinc/15/94/65/570159465.db2.gz DMUIDUYAYZQDAV-AREMUKBSSA-N 0 0 498.447 6.076 40 5 JKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1 ZINC000409181872 570159482 /nfs/dbraw/zinc/15/94/82/570159482.db2.gz GDLAHVJOAOGSBB-DEOSSOPVSA-N 0 0 466.877 5.134 40 5 JKBBRN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409182286 570159746 /nfs/dbraw/zinc/15/97/46/570159746.db2.gz KACCECPDOVSFQI-UHFFFAOYSA-N 0 0 473.506 5.238 40 5 JKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000409182385 570159868 /nfs/dbraw/zinc/15/98/68/570159868.db2.gz KVUDAIIQWPTYLN-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN Cc1cccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)c1 ZINC000409182803 570159936 /nfs/dbraw/zinc/15/99/36/570159936.db2.gz OOSPUWPRVMDTKY-UHFFFAOYSA-N 0 0 487.533 5.931 40 5 JKBBRN Cc1ccc(-c2cnc(NC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000409182916 570160083 /nfs/dbraw/zinc/16/00/83/570160083.db2.gz QBJQXCAPRZOQBH-UHFFFAOYSA-N 0 0 479.539 5.112 40 5 JKBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409183667 570160146 /nfs/dbraw/zinc/16/01/46/570160146.db2.gz UBCQVBBYYALGLO-HHHXNRCGSA-N 0 0 494.503 5.937 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409183483 570160157 /nfs/dbraw/zinc/16/01/57/570160157.db2.gz TVIBLOUWUPYBIQ-UHFFFAOYSA-N 0 0 470.437 6.242 40 5 JKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409183892 570160234 /nfs/dbraw/zinc/16/02/34/570160234.db2.gz WCKSPYJVTCQRGN-WLRTZDKTSA-N 0 0 471.922 5.009 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409184174 570160420 /nfs/dbraw/zinc/16/04/20/570160420.db2.gz XSTVWBQNCBFLLX-UHFFFAOYSA-N 0 0 470.437 6.242 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)C(c1ccccc1)c1ccccc1 ZINC000409184191 570160430 /nfs/dbraw/zinc/16/04/30/570160430.db2.gz XWSJOMFJKNVFIA-MHZLTWQESA-N 0 0 451.478 5.894 40 5 JKBBRN O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189604 570161498 /nfs/dbraw/zinc/16/14/98/570161498.db2.gz RJUAYUSUBSPLDG-ZDLGFXPLSA-N 0 0 461.282 6.403 40 5 JKBBRN O=C1N/C(=C/c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409193513 570162728 /nfs/dbraw/zinc/16/27/28/570162728.db2.gz FAKYNTRDLLBWHR-XDHOZWIPSA-N 0 0 483.402 5.499 40 5 JKBBRN O=C1N/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000409194044 570163020 /nfs/dbraw/zinc/16/30/20/570163020.db2.gz KQAPNOQINWFNSV-LDADJPATSA-N 0 0 483.402 5.499 40 5 JKBBRN Cc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)c1-c1ccc(Br)cc1 ZINC000409196028 570163546 /nfs/dbraw/zinc/16/35/46/570163546.db2.gz MKTOWVBCDSJUKO-UZYVYHOESA-N 0 0 466.744 5.127 40 5 JKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409196177 570163614 /nfs/dbraw/zinc/16/36/14/570163614.db2.gz ZJOYYGQIUKTIEN-DRXPRRSGSA-N 0 0 474.856 5.212 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000409196703 570163692 /nfs/dbraw/zinc/16/36/92/570163692.db2.gz YRQXUICUHWGSTM-LCUIJRPUSA-N 0 0 463.946 6.032 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Br)cc1 ZINC000409197292 570163900 /nfs/dbraw/zinc/16/39/00/570163900.db2.gz ATMZHOKUETXDBK-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN Cc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(C)c1-c1ccc(Br)cc1 ZINC000409199161 570164456 /nfs/dbraw/zinc/16/44/56/570164456.db2.gz HHZXXQJPIUUMLQ-UZYVYHOESA-N 0 0 466.744 5.127 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409199928 570164871 /nfs/dbraw/zinc/16/48/71/570164871.db2.gz FTQAGFOAXAHSEX-KGENOOAVSA-N 0 0 450.472 5.142 40 5 JKBBRN COCCN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409199985 570164897 /nfs/dbraw/zinc/16/48/97/570164897.db2.gz GHOHGBPBMNMAQP-LICLKQGHSA-N 0 0 468.409 5.089 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Br)cc3)cc2Cl)cc1 ZINC000409201804 570165613 /nfs/dbraw/zinc/16/56/13/570165613.db2.gz YHOKEJWAYWXZHV-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409202720 570166124 /nfs/dbraw/zinc/16/61/24/570166124.db2.gz UJBWFBQBIWVFBP-WSDLNYQXSA-N 0 0 491.525 5.455 40 5 JKBBRN COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409203964 570166549 /nfs/dbraw/zinc/16/65/49/570166549.db2.gz AHDJTPWJWBSJNG-UHFFFAOYSA-N 0 0 467.736 6.755 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1C ZINC000409205241 570166894 /nfs/dbraw/zinc/16/68/94/570166894.db2.gz GQYABLNALAQQOK-QPLCGJKRSA-N 0 0 488.525 5.595 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Br)cc2)cc1 ZINC000409205305 570167022 /nfs/dbraw/zinc/16/70/22/570167022.db2.gz HACVSLXKBWPUCM-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000409205786 570167063 /nfs/dbraw/zinc/16/70/63/570167063.db2.gz FSFGBKXZTNJTQE-FLWNBWAVSA-N 0 0 491.572 6.737 40 5 JKBBRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000409206872 570167488 /nfs/dbraw/zinc/16/74/88/570167488.db2.gz MSRYJTAOPZFKIT-BZZOAKBMSA-N 0 0 494.916 5.632 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409208466 570168249 /nfs/dbraw/zinc/16/82/49/570168249.db2.gz CIMFVMAXFXWNCT-CIAFOILYSA-N 0 0 491.525 5.455 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1CCc1ccccc1 ZINC000409208810 570168476 /nfs/dbraw/zinc/16/84/76/570168476.db2.gz CGDLNLHFPUTZPY-DEDYPNTBSA-N 0 0 454.891 5.787 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409210495 570169471 /nfs/dbraw/zinc/16/94/71/570169471.db2.gz JEZSVIOGGCKIID-CIAFOILYSA-N 0 0 466.902 6.068 40 5 JKBBRN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000261829855 570170581 /nfs/dbraw/zinc/17/05/81/570170581.db2.gz UZEAWJJXHFUBFP-MIQGZIFGSA-N 0 0 469.932 5.669 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 ZINC000409212924 570170761 /nfs/dbraw/zinc/17/07/61/570170761.db2.gz SGPMWCZTKIEVLB-VCHYOVAHSA-N 0 0 461.282 6.403 40 5 JKBBRN COc1cc2ccc3c(CCN(C)C(=O)c4ccccc4)cc(OC)c(OC)c3c2cc1OC ZINC000263585493 570171054 /nfs/dbraw/zinc/17/10/54/570171054.db2.gz JGLUCFTZNIFUQE-UHFFFAOYSA-N 0 0 459.542 5.342 40 5 biogenic JKBBRN CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409216136 570172589 /nfs/dbraw/zinc/17/25/89/570172589.db2.gz ICIOPYKVHVJRCS-JCMHNJIXSA-N 0 0 491.525 5.460 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409216685 570172782 /nfs/dbraw/zinc/17/27/82/570172782.db2.gz NXUJCINTSGCIIF-YBFXNURJSA-N 0 0 456.863 5.758 40 5 JKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409218268 570173479 /nfs/dbraw/zinc/17/34/79/570173479.db2.gz ZUPSYBYUSZGYPT-APSNUPSMSA-N 0 0 480.329 5.193 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1 ZINC000409237107 570180247 /nfs/dbraw/zinc/18/02/47/570180247.db2.gz IZRZBEASYYIECP-ODLFYWEKSA-N 0 0 482.290 5.019 40 5 JKBBRN CCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409239591 570181253 /nfs/dbraw/zinc/18/12/53/570181253.db2.gz ZMDLORVBSFAMHH-LICLKQGHSA-N 0 0 452.410 5.852 40 5 JKBBRN O=[N+]([O-])c1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)ccc1F ZINC000329008103 570181405 /nfs/dbraw/zinc/18/14/05/570181405.db2.gz LPCFPLIWYRAHBM-UHFFFAOYSA-N 0 0 491.445 5.422 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1Cl ZINC000409240192 570181543 /nfs/dbraw/zinc/18/15/43/570181543.db2.gz OYVSROVVBBVMPY-YBFXNURJSA-N 0 0 483.889 5.183 40 5 JKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)cc1 ZINC000409240561 570181769 /nfs/dbraw/zinc/18/17/69/570181769.db2.gz QMMNLCGHLQLWNA-WGOQTCKBSA-N 0 0 493.519 5.728 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000409241068 570181865 /nfs/dbraw/zinc/18/18/65/570181865.db2.gz NCVQDMRTOOOVSV-HMAPJEAMSA-N 0 0 462.552 6.291 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1cccc(F)c1 ZINC000409243650 570183113 /nfs/dbraw/zinc/18/31/13/570183113.db2.gz ZJJLNULAARWKQX-OEAKJJBVSA-N 0 0 456.498 5.807 40 5 JKBBRN O=C1NC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409246462 570184476 /nfs/dbraw/zinc/18/44/76/570184476.db2.gz IUAPFLJJALMHDC-LPYMAVHISA-N 0 0 472.888 5.349 40 5 JKBBRN CCOc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409251636 570185865 /nfs/dbraw/zinc/18/58/65/570185865.db2.gz ATNXTJPJGARTEB-UHFFFAOYSA-N 0 0 460.433 7.081 40 5 JKBBRN Cc1ccc(Sc2ccc(C=C3SC(=O)N(CC(=O)c4ccc([N+](=O)[O-])cc4)C3=O)cc2)cc1 ZINC000408528790 570186946 /nfs/dbraw/zinc/18/69/46/570186946.db2.gz HCLTVDXWIKGZHF-UCQKPKSFSA-N 0 0 490.562 5.974 40 5 JKBBRN O=c1[nH]c(-c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409261041 570187592 /nfs/dbraw/zinc/18/75/92/570187592.db2.gz AJSIEUGVLWTIEU-UHFFFAOYSA-N 0 0 464.459 5.551 40 5 JKBBRN O=c1[nH]c(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)nc2sc3c(c21)CCCC3 ZINC000409265724 570188351 /nfs/dbraw/zinc/18/83/51/570188351.db2.gz OEZHARAXERZLHG-UHFFFAOYSA-N 0 0 487.459 6.662 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409267574 570188724 /nfs/dbraw/zinc/18/87/24/570188724.db2.gz OCJTWFRGNPRFAM-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN O=c1[nH]c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3 ZINC000409267766 570188755 /nfs/dbraw/zinc/18/87/55/570188755.db2.gz XNBAAOIOBDBPTQ-UHFFFAOYSA-N 0 0 487.459 6.662 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc2ccccc21 ZINC000409272990 570189399 /nfs/dbraw/zinc/18/93/99/570189399.db2.gz OXUATZPNGOGPJF-OEAKJJBVSA-N 0 0 499.504 5.683 40 5 JKBBRN O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc2ccccc21 ZINC000409276226 570189949 /nfs/dbraw/zinc/18/99/49/570189949.db2.gz YZOASSLVORPZLV-HAHDFKILSA-N 0 0 498.520 5.214 40 5 JKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408542384 570191843 /nfs/dbraw/zinc/19/18/43/570191843.db2.gz IUPPUNFMBJBKFH-YVMONPNESA-N 0 0 490.266 5.320 40 5 JKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408543670 570192072 /nfs/dbraw/zinc/19/20/72/570192072.db2.gz PVKJGOBROJBWMW-RMKNXTFCSA-N 0 0 477.286 5.941 40 5 JKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552925 570195649 /nfs/dbraw/zinc/19/56/49/570195649.db2.gz LRTOAWYKRAKJDQ-UHFFFAOYSA-N 0 0 485.334 5.896 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2Cl)cc1 ZINC000408553680 570195910 /nfs/dbraw/zinc/19/59/10/570195910.db2.gz BJJDDYLTLQCTHU-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000408553835 570196011 /nfs/dbraw/zinc/19/60/11/570196011.db2.gz BKLUGVTYUNHPHV-UHFFFAOYSA-N 0 0 455.898 5.277 40 5 JKBBRN O=C1CS[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408554983 570196646 /nfs/dbraw/zinc/19/66/46/570196646.db2.gz GNRHLPRMPMCZHI-JOCHJYFZSA-N 0 0 475.353 6.259 40 5 JKBBRN CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408555731 570196963 /nfs/dbraw/zinc/19/69/63/570196963.db2.gz IDVTVGWBRLAAHK-DEOSSOPVSA-N 0 0 484.961 6.005 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)c1 ZINC000408556554 570197509 /nfs/dbraw/zinc/19/75/09/570197509.db2.gz JMTOGDTXWKJPGR-UHFFFAOYSA-N 0 0 453.325 7.246 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408557225 570198022 /nfs/dbraw/zinc/19/80/22/570198022.db2.gz NWWKMNSJLCKDIH-UHFFFAOYSA-N 0 0 457.870 5.746 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1 ZINC000408557463 570198161 /nfs/dbraw/zinc/19/81/61/570198161.db2.gz NRQOQXVNPJHASE-UHFFFAOYSA-N 0 0 453.325 7.246 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408557378 570198211 /nfs/dbraw/zinc/19/82/11/570198211.db2.gz NATZTIMOMBXTQG-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 ZINC000408557910 570198655 /nfs/dbraw/zinc/19/86/55/570198655.db2.gz QNOXIDBTEGXHHZ-UHFFFAOYSA-N 0 0 457.324 5.947 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408558180 570198798 /nfs/dbraw/zinc/19/87/98/570198798.db2.gz QHVJRVCPSAVBMM-UHFFFAOYSA-N 0 0 477.395 6.325 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl ZINC000408559067 570199454 /nfs/dbraw/zinc/19/94/54/570199454.db2.gz UGTCDEGUNKVMJN-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)c1 ZINC000408559459 570199791 /nfs/dbraw/zinc/19/97/91/570199791.db2.gz ZVQWAPKOTNYDER-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560104 570200190 /nfs/dbraw/zinc/20/01/90/570200190.db2.gz BYPRLPMLHBJITD-FLFQWRMESA-N 0 0 464.374 6.145 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408560354 570200326 /nfs/dbraw/zinc/20/03/26/570200326.db2.gz YWWLMQJEVKLUGD-UHFFFAOYSA-N 0 0 454.395 5.214 40 5 JKBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408561090 570200798 /nfs/dbraw/zinc/20/07/98/570200798.db2.gz GNKWIHKLOKCUNP-QOCHGBHMSA-N 0 0 480.771 5.610 40 5 JKBBRN Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] ZINC000409319379 570200904 /nfs/dbraw/zinc/20/09/04/570200904.db2.gz FFFQKYSSCIBOEI-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563000 570202002 /nfs/dbraw/zinc/20/20/02/570202002.db2.gz SSUAWBQQLPPPIA-GYHWCHFESA-N 0 0 459.955 5.500 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408564099 570202456 /nfs/dbraw/zinc/20/24/56/570202456.db2.gz XROPYCOGMJITLJ-LVWGJNHUSA-N 0 0 494.400 6.154 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408564105 570202520 /nfs/dbraw/zinc/20/25/20/570202520.db2.gz XTQNRPPZVYPKLD-FLFQWRMESA-N 0 0 464.374 6.145 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564477 570202695 /nfs/dbraw/zinc/20/26/95/570202695.db2.gz DDMNBCGEEMQPKF-MQVPCNEGSA-N 0 0 498.366 5.094 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564673 570202710 /nfs/dbraw/zinc/20/27/10/570202710.db2.gz DNSIGFNSTHVEOC-VPHKFGTKSA-N 0 0 498.366 5.094 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 ZINC000408564863 570202888 /nfs/dbraw/zinc/20/28/88/570202888.db2.gz APCWFLLEEYIMDQ-XMMPIXPASA-N 0 0 476.558 5.273 40 5 JKBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000408564859 570202908 /nfs/dbraw/zinc/20/29/08/570202908.db2.gz AOVGLHRTOMNNDI-SFHVURJKSA-N 0 0 497.802 5.500 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F ZINC000408565137 570203042 /nfs/dbraw/zinc/20/30/42/570203042.db2.gz BHMSTYBRXZAFJI-FQEVSTJZSA-N 0 0 468.912 6.347 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1cccc(C)c1 ZINC000408565241 570203168 /nfs/dbraw/zinc/20/31/68/570203168.db2.gz BLDDTZGMCXUHHH-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1cccc(C)c1 ZINC000408565236 570203218 /nfs/dbraw/zinc/20/32/18/570203218.db2.gz BKSRCURFGSTAMN-DEOSSOPVSA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408565656 570203459 /nfs/dbraw/zinc/20/34/59/570203459.db2.gz CRCNMKGRVCYASF-QHCPKHFHSA-N 0 0 480.977 5.918 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(F)cc1 ZINC000408565904 570203521 /nfs/dbraw/zinc/20/35/21/570203521.db2.gz DDYZQGLAODNBEI-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409329895 570203740 /nfs/dbraw/zinc/20/37/40/570203740.db2.gz INZLZTSGSMAUSL-LPYMAVHISA-N 0 0 491.525 5.653 40 5 JKBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC ZINC000408566369 570203776 /nfs/dbraw/zinc/20/37/76/570203776.db2.gz FLZHQZSUXRAFDW-HXUWFJFHSA-N 0 0 462.959 5.137 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408566628 570203884 /nfs/dbraw/zinc/20/38/84/570203884.db2.gz FTYIQMDONJQNFG-LJQANCHMSA-N 0 0 475.759 7.116 40 5 JKBBRN CCCN(Cc1ccccc1)C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000409330913 570204198 /nfs/dbraw/zinc/20/41/98/570204198.db2.gz ATEDFYXXGZFESI-UHFFFAOYSA-N 0 0 457.537 5.932 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1 ZINC000408569069 570204267 /nfs/dbraw/zinc/20/42/67/570204267.db2.gz IPHNILGDYLZWBV-NRFANRHFSA-N 0 0 495.373 6.317 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000408569078 570204272 /nfs/dbraw/zinc/20/42/72/570204272.db2.gz IRJRGZPLUYAFHK-QHCPKHFHSA-N 0 0 480.977 5.918 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(Cl)cc1 ZINC000408569132 570204363 /nfs/dbraw/zinc/20/43/63/570204363.db2.gz IYKCPTVFSISKBH-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408569218 570204390 /nfs/dbraw/zinc/20/43/90/570204390.db2.gz JCYKQPZQQLYZPQ-HXUWFJFHSA-N 0 0 481.892 5.726 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408569563 570204391 /nfs/dbraw/zinc/20/43/91/570204391.db2.gz JNVPXKFDLBSOPO-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1Cl ZINC000408569213 570204401 /nfs/dbraw/zinc/20/44/01/570204401.db2.gz JCRSMCPTJWAIMK-LJQANCHMSA-N 0 0 471.340 6.471 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1 ZINC000408569844 570204445 /nfs/dbraw/zinc/20/44/45/570204445.db2.gz JYFWXQHVYZOBEV-QFIPXVFZSA-N 0 0 495.373 6.317 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408569983 570204467 /nfs/dbraw/zinc/20/44/67/570204467.db2.gz KMQZWFWJYXXPRR-NRFANRHFSA-N 0 0 469.310 6.057 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccccc1 ZINC000408570003 570204501 /nfs/dbraw/zinc/20/45/01/570204501.db2.gz KNXDKMHJYPADPW-QHCPKHFHSA-N 0 0 480.977 5.918 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408570602 570204588 /nfs/dbraw/zinc/20/45/88/570204588.db2.gz LNDOFXBEJYIHOC-RUZDIDTESA-N 0 0 490.585 5.664 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000408571069 570204600 /nfs/dbraw/zinc/20/46/00/570204600.db2.gz NFSNIXCRVKLVET-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408570872 570204601 /nfs/dbraw/zinc/20/46/01/570204601.db2.gz MCVMAFAHPYUFTG-HXUWFJFHSA-N 0 0 469.310 6.057 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1 ZINC000408571038 570204634 /nfs/dbraw/zinc/20/46/34/570204634.db2.gz MZGAXQUSWZUOML-QFIPXVFZSA-N 0 0 450.922 6.208 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1F ZINC000408571336 570204722 /nfs/dbraw/zinc/20/47/22/570204722.db2.gz OJYJYJWQMRKAAF-HXUWFJFHSA-N 0 0 469.310 6.057 40 5 JKBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000408571403 570204762 /nfs/dbraw/zinc/20/47/62/570204762.db2.gz OQEVHBHUUJTOCK-FQEVSTJZSA-N 0 0 491.411 5.464 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccccc1 ZINC000408571329 570204765 /nfs/dbraw/zinc/20/47/65/570204765.db2.gz OJLVOUIQJLTLPR-DEOSSOPVSA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1cccc(C)c1 ZINC000408571907 570204829 /nfs/dbraw/zinc/20/48/29/570204829.db2.gz PVERCBBXMOHRLZ-DEOSSOPVSA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccccc1 ZINC000408572018 570204874 /nfs/dbraw/zinc/20/48/74/570204874.db2.gz QKIZRXCFBQTKME-HHHXNRCGSA-N 0 0 496.592 6.418 40 5 JKBBRN COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408572138 570204897 /nfs/dbraw/zinc/20/48/97/570204897.db2.gz QRLRIQWHWIXBMG-SFHVURJKSA-N 0 0 469.350 5.010 40 5 JKBBRN Cc1ccc(COc2c(Cl)cc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Cl)cc1 ZINC000408572431 570204944 /nfs/dbraw/zinc/20/49/44/570204944.db2.gz RDSZWQBJPRPOBF-HXUWFJFHSA-N 0 0 455.341 6.771 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)cc1 ZINC000408572373 570204972 /nfs/dbraw/zinc/20/49/72/570204972.db2.gz QYSDFXHQVGDYMS-XMMPIXPASA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1cccc(C)c1 ZINC000408572452 570204975 /nfs/dbraw/zinc/20/49/75/570204975.db2.gz RFIKWMQFOJDMEN-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000408572983 570205037 /nfs/dbraw/zinc/20/50/37/570205037.db2.gz RZZJTMCGZCGAGC-FQEVSTJZSA-N 0 0 454.885 5.957 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408573035 570205060 /nfs/dbraw/zinc/20/50/60/570205060.db2.gz SFUOQLMLOHJCKA-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccccc1 ZINC000408573102 570205102 /nfs/dbraw/zinc/20/51/02/570205102.db2.gz SLVJZYGJSOTUND-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1cccc(C)c1 ZINC000408573114 570205114 /nfs/dbraw/zinc/20/51/14/570205114.db2.gz SNCOUOVKKJHQRI-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408573370 570205155 /nfs/dbraw/zinc/20/51/55/570205155.db2.gz CXIJXWLXALMXIS-LKUDQCMESA-N 0 0 469.541 5.790 40 5 JKBBRN COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000408573690 570205211 /nfs/dbraw/zinc/20/52/11/570205211.db2.gz UDDATKIBTZPWNG-IBGZPJMESA-N 0 0 477.384 5.074 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000408574008 570205300 /nfs/dbraw/zinc/20/53/00/570205300.db2.gz UJWVNKZOQUCUAE-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1cccc(C)c1 ZINC000408574037 570205351 /nfs/dbraw/zinc/20/53/51/570205351.db2.gz ULNYRGHOFWLFQJ-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000408574497 570205390 /nfs/dbraw/zinc/20/53/90/570205390.db2.gz UYWNDFRIMZTASY-HXUWFJFHSA-N 0 0 471.340 6.471 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccccc1 ZINC000408574459 570205393 /nfs/dbraw/zinc/20/53/93/570205393.db2.gz UVQOKGJONBWBCV-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000408574812 570205508 /nfs/dbraw/zinc/20/55/08/570205508.db2.gz DNAWRCXUQAUMGF-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccccc1 ZINC000408575372 570205659 /nfs/dbraw/zinc/20/56/59/570205659.db2.gz WAWDPYUASPGRKP-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1cccc(C)c1 ZINC000408576030 570205763 /nfs/dbraw/zinc/20/57/63/570205763.db2.gz XETIBPGPJAOIQS-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408576421 570205932 /nfs/dbraw/zinc/20/59/32/570205932.db2.gz UPOQZOIFFVYFSK-UHFFFAOYSA-N 0 0 481.917 5.455 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408577041 570206079 /nfs/dbraw/zinc/20/60/79/570206079.db2.gz YMFDFSVBWLAXOJ-DEOSSOPVSA-N 0 0 476.558 5.273 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408577271 570206106 /nfs/dbraw/zinc/20/61/06/570206106.db2.gz YWXNYXWNXIQNGR-VWLOTQADSA-N 0 0 490.585 5.582 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(F)cc1 ZINC000408577775 570206198 /nfs/dbraw/zinc/20/61/98/570206198.db2.gz ZVPPATJEXNAQLO-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000408580654 570206635 /nfs/dbraw/zinc/20/66/35/570206635.db2.gz DNDNVRRJUFHRCO-UHFFFAOYSA-N 0 0 462.453 5.418 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000001166669 194057950 /nfs/dbraw/zinc/05/79/50/194057950.db2.gz PXKSZLNWUBATKZ-KWUUDPFMSA-N 0 0 462.505 5.327 40 5 JKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1ccc(N(C)C)cc1 ZINC000001327822 194088299 /nfs/dbraw/zinc/08/82/99/194088299.db2.gz KGNIUHGLDSNRMV-UHFFFAOYSA-N 0 0 459.600 5.498 40 5 JKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)Nc4ccc(N(C)C)cc4)c3cc2c1 ZINC000001327824 194088212 /nfs/dbraw/zinc/08/82/12/194088212.db2.gz RQUZRUPTQFOWGR-UHFFFAOYSA-N 0 0 473.627 5.806 40 5 JKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc2c(c(Cl)c1)-c1ccc(Cl)cc1C2 ZINC000001715672 194131952 /nfs/dbraw/zinc/13/19/52/194131952.db2.gz OHRLDETYMRUJJQ-UHFFFAOYSA-N 0 0 456.328 6.382 40 5 JKBBRN O=c1c2cc(Cl)ccc2c2ccc(Cl)cc2c(=O)n1-c1ccc2c(c1)Cc1ccccc1-2 ZINC000001719581 194132274 /nfs/dbraw/zinc/13/22/74/194132274.db2.gz RSXRMWZFBPMNPO-UHFFFAOYSA-N 0 0 456.328 6.382 40 5 JKBBRN Cc1nc2ccccc2nc1-c1cc(-c2nc3ccccc3nc2C)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003844559 194364085 /nfs/dbraw/zinc/36/40/85/194364085.db2.gz RCYDBPRSFKATPX-UHFFFAOYSA-N 0 0 452.430 5.340 40 5 JKBBRN O=[N+]([O-])c1cc([C@@H](O)Cc2ccc3ccccc3n2)ccc1[C@H](O)Cc1ccc2ccccc2n1 ZINC000003845188 194364122 /nfs/dbraw/zinc/36/41/22/194364122.db2.gz NQCMQHOPGXXXNG-WUFINQPMSA-N 0 0 465.509 5.243 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Br)c2ccccc2)cc1/C=C/c1ccccc1 ZINC000003845001 194364148 /nfs/dbraw/zinc/36/41/48/194364148.db2.gz IZUCMCYILUILLB-IICJTNPGSA-N 0 0 451.276 6.566 40 5 JKBBRN C/C(=C\c1cc(/C=C(\C)OC(=O)c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)c1ccccc1 ZINC000003844557 194364154 /nfs/dbraw/zinc/36/41/54/194364154.db2.gz VNMOPYYZCZBUIK-HBKJEHTGSA-N 0 0 488.452 5.939 40 5 JKBBRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1[N+](=O)[O-] ZINC000012633701 195065671 /nfs/dbraw/zinc/06/56/71/195065671.db2.gz FGKMGHOJHWPQOV-XUMWYHAOSA-N 0 0 452.576 5.492 40 5 JKBBRN CCCc1nnc2sc(-c3cccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12 ZINC000020609670 195182794 /nfs/dbraw/zinc/18/27/94/195182794.db2.gz SFCRNLICRXTSTN-UHFFFAOYSA-N 0 0 498.977 5.834 40 5 JKBBRN COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610060 195182994 /nfs/dbraw/zinc/18/29/94/195182994.db2.gz VBTQWBCTRPZOOG-UHFFFAOYSA-N 0 0 469.457 5.158 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(Cl)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 ZINC000020611002 195184573 /nfs/dbraw/zinc/18/45/73/195184573.db2.gz SLUVEIVPVVLPDT-UHFFFAOYSA-N 0 0 487.903 6.111 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccc(F)cc5)nc4cc3C)o2)c([N+](=O)[O-])c1 ZINC000020611143 195184957 /nfs/dbraw/zinc/18/49/57/195184957.db2.gz YCEPXYUARDTANO-UHFFFAOYSA-N 0 0 471.448 5.597 40 5 JKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020611288 195184975 /nfs/dbraw/zinc/18/49/75/195184975.db2.gz PIFCYWRWSPEVRN-UHFFFAOYSA-N 0 0 483.484 5.466 40 5 JKBBRN CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 ZINC000020797515 195225952 /nfs/dbraw/zinc/22/59/52/195225952.db2.gz HWBHHFRIBARWEK-JOCHJYFZSA-N 0 0 494.338 6.179 40 5 JKBBRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020970191 195257807 /nfs/dbraw/zinc/25/78/07/195257807.db2.gz UCXASOFYOQXDGY-DEOSSOPVSA-N 0 0 453.502 5.435 40 5 JKBBRN CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000021576596 195315444 /nfs/dbraw/zinc/31/54/44/195315444.db2.gz MWMFPJHLJCUMSL-WEVVVXLNSA-N 0 0 491.375 5.002 40 5 JKBBRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021578671 195316488 /nfs/dbraw/zinc/31/64/88/195316488.db2.gz KSODZNRDDHLRSG-UHFFFAOYSA-N 0 0 491.956 7.449 40 5 JKBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)ccc3o2)c1 ZINC000021579371 195316872 /nfs/dbraw/zinc/31/68/72/195316872.db2.gz NBBVZLMIOSKMBR-UHFFFAOYSA-N 0 0 485.452 5.933 40 5 JKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1 ZINC000021596045 195318349 /nfs/dbraw/zinc/31/83/49/195318349.db2.gz NCEPRHFRNFPIBG-JTQLQIEISA-N 0 0 492.022 6.027 40 5 JKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000021596011 195318372 /nfs/dbraw/zinc/31/83/72/195318372.db2.gz BOEHPDDMJLNYRT-UHFFFAOYSA-N 0 0 471.001 5.973 40 5 JKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000059057409 195387212 /nfs/dbraw/zinc/38/72/12/195387212.db2.gz ZRIJRJOMRGBASX-UHFFFAOYSA-N 0 0 473.876 5.803 40 5 JKBBRN CC(=O)C1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(CCC(c3ccc(C)cc3)=NN2c2ccccc2)S1 ZINC000059120567 195389282 /nfs/dbraw/zinc/38/92/82/195389282.db2.gz QBQAENDSDALWRX-SANMLTNESA-N 0 0 485.569 5.717 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cccs1 ZINC000059294265 195396899 /nfs/dbraw/zinc/39/68/99/195396899.db2.gz ZVCLYEUXYMVKKK-JLHYYAGUSA-N 0 0 489.509 5.829 40 5 JKBBRN CC1=NN(c2ccccc2)[C@]2(SC=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000059482985 195404989 /nfs/dbraw/zinc/40/49/89/195404989.db2.gz IWKFZBLSNGJXQH-JOCHJYFZSA-N 0 0 460.475 5.054 40 5 JKBBRN CCOc1ccc2nc(Sc3ccc([C@@H]4NC(=O)c5ccccc5O4)cc3[N+](=O)[O-])sc2c1 ZINC000059488123 195406588 /nfs/dbraw/zinc/40/65/88/195406588.db2.gz AMCMVHSJZTUCBD-JOCHJYFZSA-N 0 0 479.539 5.575 40 5 JKBBRN COc1ccc(-c2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1 ZINC000059489572 195406851 /nfs/dbraw/zinc/40/68/51/195406851.db2.gz JXTBJLHPQYHPCL-UHFFFAOYSA-N 0 0 457.515 5.625 40 5 JKBBRN Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)c3ccccc32)cc1 ZINC000106722500 195460489 /nfs/dbraw/zinc/46/04/89/195460489.db2.gz NAZKXQWBFWBMKJ-QFEZKATASA-N 0 0 483.549 6.143 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br ZINC000106725858 195460867 /nfs/dbraw/zinc/46/08/67/195460867.db2.gz BWOWVCFZTRAUHP-NVNXTCNLSA-N 0 0 498.152 5.356 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728336 195460963 /nfs/dbraw/zinc/46/09/63/195460963.db2.gz JPLJGDZTIVGXMS-UUASQNMZSA-N 0 0 454.247 5.046 40 5 JKBBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000036408651 519803384 /nfs/dbraw/zinc/80/33/84/519803384.db2.gz HXLDLGPOKADBKW-SJWGOKEGSA-N 0 0 466.793 5.890 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022537503 521264620 /nfs/dbraw/zinc/26/46/20/521264620.db2.gz BVPHRYRSRVWEPL-SDNWHVSQSA-N 0 0 455.518 5.632 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000022572927 521266368 /nfs/dbraw/zinc/26/63/68/521266368.db2.gz WNZFXVWIZNBJQE-UHFFFAOYSA-N 0 0 463.925 5.885 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022572937 521266418 /nfs/dbraw/zinc/26/64/18/521266418.db2.gz JJTDSBBEYXYBHQ-UHFFFAOYSA-N 0 0 463.925 5.885 40 5 JKBBRN COc1ccc(-c2nc(NC(=O)c3ccc(OC)c(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000032115772 523220717 /nfs/dbraw/zinc/22/07/17/523220717.db2.gz VGCXNEKKODORCW-UHFFFAOYSA-N 0 0 491.525 5.663 40 5 JKBBRN CCn1c2c3ccccc3c(C(=O)c3ccc(Br)o3)n2c2c3ccccc3oc2c1=O ZINC000016756731 523255645 /nfs/dbraw/zinc/25/56/45/523255645.db2.gz LCXRDLIKKLQCAD-UHFFFAOYSA-N 0 0 475.298 5.760 40 5 JKBBRN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c4ccccc4ccc23)cc1 ZINC000012487993 524507820 /nfs/dbraw/zinc/50/78/20/524507820.db2.gz MROGAYOGXALDGI-UHFFFAOYSA-N 0 0 465.578 6.498 40 5 JKBBRN COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)nc2c3ccccc3ccc12 ZINC000012487999 524597991 /nfs/dbraw/zinc/59/79/91/524597991.db2.gz DJFTWPSPOMYIFA-UHFFFAOYSA-N 0 0 465.578 6.498 40 5 JKBBRN O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000020435719 526416846 /nfs/dbraw/zinc/41/68/46/526416846.db2.gz BDZHKQLALQRQGH-UHFFFAOYSA-N 0 0 467.488 5.089 40 5 JKBBRN O=C(CN1CCCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002030008 526736707 /nfs/dbraw/zinc/73/67/07/526736707.db2.gz YCNJGKRHFIWGJC-UHFFFAOYSA-N 0 0 471.604 7.146 40 5 JKBBRN O=[N+]([O-])c1ccc(/C=C\c2cccc(/C=C\c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000068563504 527343761 /nfs/dbraw/zinc/34/37/61/527343761.db2.gz JUZPPVPZHHLCTG-PEPZGXQESA-N 0 0 462.374 5.660 40 5 JKBBRN O=[N+]([O-])c1ccccc1/C=C/c1cc(/C=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068563154 527397477 /nfs/dbraw/zinc/39/74/77/527397477.db2.gz VYMJPXODFITBKT-WGDLNXRISA-N 0 0 462.374 5.660 40 5 JKBBRN O=c1c2ccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)c3cccc(c4nc5ccccc5n41)c32 ZINC000016478296 527462752 /nfs/dbraw/zinc/46/27/52/527462752.db2.gz NTOGFCKPVHTJER-SSEXGKCCSA-N 0 0 490.566 6.948 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl ZINC000022535943 527606672 /nfs/dbraw/zinc/60/66/72/527606672.db2.gz KWHUFFAXMGEYKX-VQHVLOKHSA-N 0 0 454.273 5.287 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1Br ZINC000000820943 553786406 /nfs/dbraw/zinc/78/64/06/553786406.db2.gz OWLNADBIIXXLIP-UHFFFAOYSA-N 0 0 466.291 6.035 40 5 JKBBRN O=C1NC(=O)c2c1c1c3cc(Br)ccc3[nH]c1c1[nH]c3ccc(Br)cc3c12 ZINC000000839175 553792823 /nfs/dbraw/zinc/79/28/23/553792823.db2.gz DDKVYBNYFAHHSK-UHFFFAOYSA-N 0 0 483.119 5.364 40 5 JKBBRN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1 ZINC000000851581 553798585 /nfs/dbraw/zinc/79/85/85/553798585.db2.gz YDGDEOVXCRDEAO-UHFFFAOYSA-N 0 0 489.509 5.440 40 5 JKBBRN O=C(CN(C(=O)c1ccccc1Cl)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000853516 553799083 /nfs/dbraw/zinc/79/90/83/553799083.db2.gz MWXFTOXDRVAKHI-UHFFFAOYSA-N 0 0 450.322 5.315 40 5 JKBBRN Cc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000000853526 553799133 /nfs/dbraw/zinc/79/91/33/553799133.db2.gz ZLGZDJLTGIDKGI-UHFFFAOYSA-N 0 0 461.337 5.061 40 5 JKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc2ccccc21 ZINC000000868983 553807715 /nfs/dbraw/zinc/80/77/15/553807715.db2.gz SFXRKHWZJUVFFY-UHFFFAOYSA-N 0 0 481.537 5.727 40 5 JKBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)c1 ZINC000000902396 553835663 /nfs/dbraw/zinc/83/56/63/553835663.db2.gz KWUUPGCKDMDLJR-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000907444 553839968 /nfs/dbraw/zinc/83/99/68/553839968.db2.gz NEVNKIYIZBYVTQ-UHFFFAOYSA-N 0 0 463.494 5.021 40 5 JKBBRN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@H](C(Cl)(Cl)Cl)O[C@@H]2C(Cl)(Cl)Cl ZINC000001615448 553980502 /nfs/dbraw/zinc/98/05/02/553980502.db2.gz FHFYDARLLMBMPK-YUMQZZPRSA-N 0 0 460.868 5.020 40 5 JKBBRN CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 ZINC000001787374 553989854 /nfs/dbraw/zinc/98/98/54/553989854.db2.gz DJQMQVUAYXPIKA-UHFFFAOYSA-N 0 0 469.763 6.106 40 5 JKBBRN CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001849462 553995747 /nfs/dbraw/zinc/99/57/47/553995747.db2.gz ZLMPPGUIPXNTLM-XBXARRHUSA-N 0 0 456.667 5.067 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001852879 553996285 /nfs/dbraw/zinc/99/62/85/553996285.db2.gz KGQFLSUVHKZIAY-AWEZNQCLSA-N 0 0 479.920 6.831 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001860226 553997733 /nfs/dbraw/zinc/99/77/33/553997733.db2.gz JDNYEIMNRFKYBI-CQSZACIVSA-N 0 0 463.921 7.131 40 5 JKBBRN O=C(Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1)c1ccccc1 ZINC000001867063 553999129 /nfs/dbraw/zinc/99/91/29/553999129.db2.gz PSZCFCGLXORKBI-UHFFFAOYSA-N 0 0 468.465 5.996 40 5 JKBBRN O=C(OCc1ccccc1)c1c([N+](=O)[O-])c(Br)cc(OCc2ccccc2)c1[N+](=O)[O-] ZINC000002572939 554236691 /nfs/dbraw/zinc/23/66/91/554236691.db2.gz MMIMIFULGMZVPO-UHFFFAOYSA-N 0 0 487.262 5.202 40 5 JKBBRN O=C(Nc1cc(Cl)ccc1Cl)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc([N+](=O)[O-])c1 ZINC000003146546 554427671 /nfs/dbraw/zinc/42/76/71/554427671.db2.gz SDVXMDPNAAIVLI-UHFFFAOYSA-N 0 0 499.137 6.713 40 5 JKBBRN COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000003146813 554427719 /nfs/dbraw/zinc/42/77/19/554427719.db2.gz RWRNDQPEGZMQQC-UHFFFAOYSA-N 0 0 488.283 5.193 40 5 JKBBRN 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Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000006280855 554525044 /nfs/dbraw/zinc/52/50/44/554525044.db2.gz SAZYNLUHUPQMCG-UHFFFAOYSA-N 0 0 451.552 5.262 40 5 JKBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1 ZINC000006442764 554537263 /nfs/dbraw/zinc/53/72/63/554537263.db2.gz HEKFHDAYVDRRRO-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN Cc1ccc([N+](=O)[O-])c(-c2ccccc2)c1/N=c1\ssc2c1-c1cccc(C)c1NC2(C)C ZINC000006443611 554538002 /nfs/dbraw/zinc/53/80/02/554538002.db2.gz JUCQHCZQMKYKIU-RFBIWTDZSA-N 0 0 473.623 7.562 40 5 JKBBRN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(Br)cc1 ZINC000006821856 554558490 /nfs/dbraw/zinc/55/84/90/554558490.db2.gz RSWNYPXUQZMKQM-UHFFFAOYSA-N 0 0 457.305 5.817 40 5 JKBBRN CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc12 ZINC000006860518 554559099 /nfs/dbraw/zinc/55/90/99/554559099.db2.gz GTVILSXZDKSABW-UHFFFAOYSA-N 0 0 462.506 5.637 40 5 JKBBRN CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000006878334 554559587 /nfs/dbraw/zinc/55/95/87/554559587.db2.gz VBZZTZPBIDTBMS-UHFFFAOYSA-N 0 0 485.875 5.276 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc21 ZINC000006906620 554561784 /nfs/dbraw/zinc/56/17/84/554561784.db2.gz SVGKQJFXIBHFPG-UHFFFAOYSA-N 0 0 464.478 5.084 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000006906677 554561790 /nfs/dbraw/zinc/56/17/90/554561790.db2.gz ISRMOEJDOLVSIX-UHFFFAOYSA-N 0 0 468.296 6.378 40 5 JKBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000008831098 554721144 /nfs/dbraw/zinc/72/11/44/554721144.db2.gz KGXBTXKCQDVXCI-UHFFFAOYSA-N 0 0 452.517 5.208 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000008831313 554721775 /nfs/dbraw/zinc/72/17/75/554721775.db2.gz DBYYNUUGUROIAE-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 ZINC000008831316 554721826 /nfs/dbraw/zinc/72/18/26/554721826.db2.gz CHPMUBZXTSIOMZ-UHFFFAOYSA-N 0 0 455.923 5.262 40 5 JKBBRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000008831767 554723638 /nfs/dbraw/zinc/72/36/38/554723638.db2.gz PULAYKORQWSPOY-MRXNPFEDSA-N 0 0 464.547 5.360 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008831789 554723762 /nfs/dbraw/zinc/72/37/62/554723762.db2.gz IXUGVTKDJOJRGU-PKNBQFBNSA-N 0 0 472.328 5.524 40 5 JKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000008831882 554724229 /nfs/dbraw/zinc/72/42/29/554724229.db2.gz XSWFFCCZOQFPLV-UHFFFAOYSA-N 0 0 462.676 6.616 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008831976 554724625 /nfs/dbraw/zinc/72/46/25/554724625.db2.gz SQHOYTYRKLBBMB-UHFFFAOYSA-N 0 0 465.893 6.441 40 5 JKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008831998 554724879 /nfs/dbraw/zinc/72/48/79/554724879.db2.gz HTPKGCMVIWQYTI-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN COc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008832013 554724888 /nfs/dbraw/zinc/72/48/88/554724888.db2.gz FTLFPGZCEWIBCH-UHFFFAOYSA-N 0 0 458.474 5.264 40 5 JKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008832074 554725065 /nfs/dbraw/zinc/72/50/65/554725065.db2.gz FVVVOFBVLFNQDL-UHFFFAOYSA-N 0 0 460.298 6.537 40 5 JKBBRN Cc1c(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-] ZINC000008832118 554725270 /nfs/dbraw/zinc/72/52/70/554725270.db2.gz CVGMNJZHXAPGMJ-UHFFFAOYSA-N 0 0 457.873 6.770 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000008832309 554726108 /nfs/dbraw/zinc/72/61/08/554726108.db2.gz SITGPTRCPRYJQZ-UHFFFAOYSA-N 0 0 451.910 6.050 40 5 JKBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000008832277 554726138 /nfs/dbraw/zinc/72/61/38/554726138.db2.gz YGEVPJSMDGUWOT-ZZXKWVIFSA-N 0 0 470.117 5.089 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000008833306 554730521 /nfs/dbraw/zinc/73/05/21/554730521.db2.gz RQMPCMOCEVJOGT-ZZXKWVIFSA-N 0 0 496.759 6.341 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000008835683 554735005 /nfs/dbraw/zinc/73/50/05/554735005.db2.gz IPBDFYWXLUMXJA-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1[N+](=O)[O-] ZINC000008835682 554735030 /nfs/dbraw/zinc/73/50/30/554735030.db2.gz CAHVCBJJJNHSRB-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008895134 554784681 /nfs/dbraw/zinc/78/46/81/554784681.db2.gz XKUQFZFGYJJSHQ-UHFFFAOYSA-N 0 0 484.748 6.250 40 5 JKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000008895902 554785381 /nfs/dbraw/zinc/78/53/81/554785381.db2.gz ROCJPYSJHHZPCQ-UHFFFAOYSA-N 0 0 486.937 5.374 40 5 JKBBRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000008898478 554788921 /nfs/dbraw/zinc/78/89/21/554788921.db2.gz GLJHKYPMWNIGDM-GOSISDBHSA-N 0 0 481.622 5.091 40 5 JKBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000008898402 554788949 /nfs/dbraw/zinc/78/89/49/554788949.db2.gz QBJYEZLVOXZTLU-UHFFFAOYSA-N 0 0 498.992 5.871 40 5 JKBBRN O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008898695 554789398 /nfs/dbraw/zinc/78/93/98/554789398.db2.gz ATJGPEBFPVSDNF-UHFFFAOYSA-N 0 0 480.735 5.777 40 5 JKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000008898894 554789505 /nfs/dbraw/zinc/78/95/05/554789505.db2.gz XQCQZHZAHRMYRO-UHFFFAOYSA-N 0 0 474.325 6.196 40 5 JKBBRN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008899560 554790560 /nfs/dbraw/zinc/79/05/60/554790560.db2.gz LSVFUPDRFKYXBW-UHFFFAOYSA-N 0 0 486.528 5.615 40 5 JKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008900365 554792559 /nfs/dbraw/zinc/79/25/59/554792559.db2.gz MAQSFSLHOCTLCN-UHFFFAOYSA-N 0 0 481.512 6.273 40 5 JKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008900514 554792858 /nfs/dbraw/zinc/79/28/58/554792858.db2.gz KWNUJHFCJOOKJK-UHFFFAOYSA-N 0 0 489.491 6.303 40 5 JKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008901242 554794390 /nfs/dbraw/zinc/79/43/90/554794390.db2.gz KTUDXOKICIFTLY-UHFFFAOYSA-N 0 0 486.867 6.534 40 5 JKBBRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000008901507 554794811 /nfs/dbraw/zinc/79/48/11/554794811.db2.gz ZVOKNKFZWOTQOI-UHFFFAOYSA-N 0 0 499.354 5.116 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902502 554796361 /nfs/dbraw/zinc/79/63/61/554796361.db2.gz ZBULGJZGYXZCKB-JXMROGBWSA-N 0 0 498.333 5.106 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nc(NC(=O)c5ccco5)sc4c3)o2)c([N+](=O)[O-])c1 ZINC000008902772 554796534 /nfs/dbraw/zinc/79/65/34/554796534.db2.gz ONXHYOCJCWTKHW-UHFFFAOYSA-N 0 0 488.481 5.871 40 5 JKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008902997 554796968 /nfs/dbraw/zinc/79/69/68/554796968.db2.gz MUNYBNCVSLCLBL-UUILKARUSA-N 0 0 461.905 6.832 40 5 JKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 ZINC000008903000 554796994 /nfs/dbraw/zinc/79/69/94/554796994.db2.gz ONAVVOPRRXGJCB-DTQAZKPQSA-N 0 0 493.519 7.438 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000008903011 554797037 /nfs/dbraw/zinc/79/70/37/554797037.db2.gz NNCQRFWXJHQDCG-UHFFFAOYSA-N 0 0 481.508 7.347 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1OC ZINC000008903905 554798237 /nfs/dbraw/zinc/79/82/37/554798237.db2.gz CDCGJLUVHAJFEP-ONNFQVAWSA-N 0 0 479.876 5.726 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1ccc(C)cc1 ZINC000008990026 554851768 /nfs/dbraw/zinc/85/17/68/554851768.db2.gz DDPCCDIFKQERDF-UUYOSTAYSA-N 0 0 492.915 5.879 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009056521 554875029 /nfs/dbraw/zinc/87/50/29/554875029.db2.gz PXPLDNAWWSKPDV-UHFFFAOYSA-N 0 0 461.861 6.013 40 5 JKBBRN O=C(C[C@@H](Sc1cccc2cccnc21)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000009057018 554876134 /nfs/dbraw/zinc/87/61/34/554876134.db2.gz OPUGXGCLCMVBJX-HSZRJFAPSA-N 0 0 493.382 7.012 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2cccc3ccccc32)c1 ZINC000009062466 554880196 /nfs/dbraw/zinc/88/01/96/554880196.db2.gz YKVAGKJOISFAAV-UHFFFAOYSA-N 0 0 495.520 5.771 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1sc2cc(Cl)ccc2c1Cl ZINC000009062506 554880260 /nfs/dbraw/zinc/88/02/60/554880260.db2.gz IOPUDJUQJXDNNK-UHFFFAOYSA-N 0 0 451.316 5.887 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1 ZINC000009235298 555009125 /nfs/dbraw/zinc/00/91/25/555009125.db2.gz MQCUCDLOKNPOCC-GIDUJCDVSA-N 0 0 486.720 5.230 40 5 JKBBRN Cc1cccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3ccc(Cl)cc3Cl)C2=O)c1 ZINC000009328788 555099630 /nfs/dbraw/zinc/09/96/30/555099630.db2.gz BITHNFCOBAMDHH-VSKRKVRLSA-N 0 0 498.322 5.261 40 5 JKBBRN COc1ccc2c(c1)c1c(c(C)c3ccncc3c1C)n2CCCN1C(=O)c2ccccc2C1=O ZINC000013281539 555370691 /nfs/dbraw/zinc/37/06/91/555370691.db2.gz MBJLHMGZGKXJAD-UHFFFAOYSA-N 0 0 463.537 5.654 40 5 JKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1 ZINC000013382216 555393547 /nfs/dbraw/zinc/39/35/47/555393547.db2.gz YLKBXPVLXQNYQN-UHFFFAOYSA-N 0 0 477.860 6.263 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)o1 ZINC000013382066 555393558 /nfs/dbraw/zinc/39/35/58/555393558.db2.gz CVXZJIVHSRVNHJ-UHFFFAOYSA-N 0 0 497.551 6.965 40 5 JKBBRN Cc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1[N+](=O)[O-] ZINC000013477514 555403108 /nfs/dbraw/zinc/40/31/08/555403108.db2.gz JHKUTFJDGARTSD-BOPFTXTBSA-N 0 0 453.248 5.270 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3Cl)c2C)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013500034 555435725 /nfs/dbraw/zinc/43/57/25/555435725.db2.gz CXLTVRAGIWYQJS-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500049 555435966 /nfs/dbraw/zinc/43/59/66/555435966.db2.gz CMVXYSWYIWEMRE-UHFFFAOYSA-N 0 0 472.549 5.361 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509756 555481845 /nfs/dbraw/zinc/48/18/45/555481845.db2.gz GPDOGMPGYGBCCN-UHFFFAOYSA-N 0 0 458.522 5.683 40 5 JKBBRN O=C(NCCNc1nc(C2CCCCC2)nc2sc3c(c21)CCCC3)c1ccc([N+](=O)[O-])cc1 ZINC000013510212 555482040 /nfs/dbraw/zinc/48/20/40/555482040.db2.gz KLLNWSZOVRJNLR-UHFFFAOYSA-N 0 0 479.606 5.368 40 5 JKBBRN O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc21)Nc1ccccc1[N+](=O)[O-] ZINC000013510973 555482827 /nfs/dbraw/zinc/48/28/27/555482827.db2.gz MJVAPEGBPJXQRO-UHFFFAOYSA-N 0 0 457.924 5.046 40 5 JKBBRN Cc1nc(Nc2cc(Cl)ccc2Cl)nc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-] ZINC000009761149 555485545 /nfs/dbraw/zinc/48/55/45/555485545.db2.gz VVNUDNNUJBSYBE-UHFFFAOYSA-N 0 0 459.120 6.794 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000019856410 555515418 /nfs/dbraw/zinc/51/54/18/555515418.db2.gz PEWNMQFQIVTPCO-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000013615688 555535953 /nfs/dbraw/zinc/53/59/53/555535953.db2.gz PCTZPRMTYQXAFN-UHFFFAOYSA-N 0 0 472.682 6.071 40 5 JKBBRN CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)ccc1[N+](=O)[O-] ZINC000013632952 555542797 /nfs/dbraw/zinc/54/27/97/555542797.db2.gz NFLVUFXKQRQKLZ-UHFFFAOYSA-N 0 0 465.381 5.322 40 5 JKBBRN Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)c1 ZINC000019928345 555543958 /nfs/dbraw/zinc/54/39/58/555543958.db2.gz CSJWGGSXTLQXGT-UHFFFAOYSA-N 0 0 483.333 5.211 40 5 JKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019928730 555544270 /nfs/dbraw/zinc/54/42/70/555544270.db2.gz CHHUTFBGGDBFCW-UHFFFAOYSA-N 0 0 459.698 5.336 40 5 JKBBRN O=C1[C@@H](c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000013634657 555544375 /nfs/dbraw/zinc/54/43/75/555544375.db2.gz GJIMZCRNDFWIFS-LAJGZZDBSA-N 0 0 493.519 6.025 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc21 ZINC000010010628 555592994 /nfs/dbraw/zinc/59/29/94/555592994.db2.gz UTJIGPPHFZIUCM-SOFGYWHQSA-N 0 0 469.906 6.087 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 ZINC000010010619 555593041 /nfs/dbraw/zinc/59/30/41/555593041.db2.gz QQZCJRLWNAHHMP-VQHVLOKHSA-N 0 0 466.431 5.033 40 5 JKBBRN Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Cl)cc4Cl)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c1 ZINC000013769351 555613754 /nfs/dbraw/zinc/61/37/54/555613754.db2.gz BITHNFCOBAMDHH-FSSWDIPSSA-N 0 0 498.322 5.261 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)oc2c(Br)c1 ZINC000010119759 555631173 /nfs/dbraw/zinc/63/11/73/555631173.db2.gz OWBRMUHITFJMNQ-UHFFFAOYSA-N 0 0 466.291 5.980 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2c(Br)c1 ZINC000010119760 555631198 /nfs/dbraw/zinc/63/11/98/555631198.db2.gz ZGDSWVBCZAJMKS-UHFFFAOYSA-N 0 0 480.318 6.289 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)oc2c(Br)c1 ZINC000010119755 555631275 /nfs/dbraw/zinc/63/12/75/555631275.db2.gz ILDMRSMRNGLBGP-UHFFFAOYSA-N 0 0 480.318 6.289 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)oc2c(Br)c1 ZINC000010119813 555631522 /nfs/dbraw/zinc/63/15/22/555631522.db2.gz JCIYMZWVCASJJN-UHFFFAOYSA-N 0 0 496.317 5.745 40 5 JKBBRN Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2cc1C ZINC000010120407 555633099 /nfs/dbraw/zinc/63/30/99/555633099.db2.gz IPVDSHNTMPAXPW-WYMLVPIESA-N 0 0 493.519 6.609 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1 ZINC000010120422 555633122 /nfs/dbraw/zinc/63/31/22/555633122.db2.gz REWWAIYJOQKVNQ-UHFFFAOYSA-N 0 0 481.508 6.518 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1C ZINC000013939912 555649956 /nfs/dbraw/zinc/64/99/56/555649956.db2.gz XJUPGOPQFSBWJU-OPQYHKBDSA-N 0 0 476.532 5.635 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1C ZINC000013939914 555649997 /nfs/dbraw/zinc/64/99/97/555649997.db2.gz XJUPGOPQFSBWJU-DEQMQSMYSA-N 0 0 476.532 5.635 40 5 JKBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020139626 555662688 /nfs/dbraw/zinc/66/26/88/555662688.db2.gz VIBRWZVOAUQEJG-UHFFFAOYSA-N 0 0 463.298 6.121 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000020140679 555663176 /nfs/dbraw/zinc/66/31/76/555663176.db2.gz OVXTWWNJUJRIMO-UHFFFAOYSA-N 0 0 468.849 5.521 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000020140623 555663281 /nfs/dbraw/zinc/66/32/81/555663281.db2.gz MPVPMYGCTOAVLU-UHFFFAOYSA-N 0 0 452.850 5.821 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020140685 555663348 /nfs/dbraw/zinc/66/33/48/555663348.db2.gz HSDDPIOGDMOVHT-UHFFFAOYSA-N 0 0 468.849 5.521 40 5 JKBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142604 555663523 /nfs/dbraw/zinc/66/35/23/555663523.db2.gz ZZUXMLIHDOOKCF-UHFFFAOYSA-N 0 0 455.898 5.243 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020145352 555664412 /nfs/dbraw/zinc/66/44/12/555664412.db2.gz QOIFSKSMQHEYCI-XYOKQWHBSA-N 0 0 464.861 5.912 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 ZINC000020151019 555667978 /nfs/dbraw/zinc/66/79/78/555667978.db2.gz DIXLZHCXXQONGM-KPKJPENVSA-N 0 0 474.469 5.576 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)o1 ZINC000020151053 555667997 /nfs/dbraw/zinc/66/79/97/555667997.db2.gz MFNYCDKCGOYSDP-IZZDOVSWSA-N 0 0 478.888 6.221 40 5 JKBBRN Cc1ccc2oc(-c3ccc(CNC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)cc3)nc2c1 ZINC000010372894 555700558 /nfs/dbraw/zinc/70/05/58/555700558.db2.gz ATFHGUUECMNQEY-UHFFFAOYSA-N 0 0 455.514 5.840 40 5 JKBBRN CCCC(=O)Nc1nc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2s1 ZINC000010372876 555700562 /nfs/dbraw/zinc/70/05/62/555700562.db2.gz LBLGHGLDCHGYKP-UHFFFAOYSA-N 0 0 452.536 5.394 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014269427 555759242 /nfs/dbraw/zinc/75/92/42/555759242.db2.gz XEVKRVHYJBGWTG-UHFFFAOYSA-N 0 0 469.828 5.654 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000014269788 555760329 /nfs/dbraw/zinc/76/03/29/555760329.db2.gz ASJNFINZVCLKLC-JXMROGBWSA-N 0 0 462.314 5.688 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000014270116 555761260 /nfs/dbraw/zinc/76/12/60/555761260.db2.gz CAHCFXJNDKNZQT-FNORWQNLSA-N 0 0 462.314 5.688 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] ZINC000014271010 555764686 /nfs/dbraw/zinc/76/46/86/555764686.db2.gz OQTFOOYLDBYBGB-UHFFFAOYSA-N 0 0 466.302 5.297 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014271967 555768222 /nfs/dbraw/zinc/76/82/22/555768222.db2.gz DARUSLJMPKHKLA-UHFFFAOYSA-N 0 0 463.881 5.304 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000014272316 555769429 /nfs/dbraw/zinc/76/94/29/555769429.db2.gz FZTVTZSDDHWZEM-UHFFFAOYSA-N 0 0 461.474 5.553 40 5 JKBBRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014272391 555769681 /nfs/dbraw/zinc/76/96/81/555769681.db2.gz ZQKOHCFOIXSUCN-UHFFFAOYSA-N 0 0 470.529 6.126 40 5 JKBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014272846 555771436 /nfs/dbraw/zinc/77/14/36/555771436.db2.gz AOMMHYUTSDYWFO-UHFFFAOYSA-N 0 0 457.421 5.289 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014272936 555771596 /nfs/dbraw/zinc/77/15/96/555771596.db2.gz SXLQFVALJAJPRS-QPJJXVBHSA-N 0 0 451.693 6.775 40 5 JKBBRN Cc1c(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cccc1[N+](=O)[O-] ZINC000014273629 555773961 /nfs/dbraw/zinc/77/39/61/555773961.db2.gz JLMWNKFDCOJFMS-UHFFFAOYSA-N 0 0 464.953 5.131 40 5 JKBBRN Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] ZINC000014274569 555777068 /nfs/dbraw/zinc/77/70/68/555777068.db2.gz FTPNLXHKSLUIQI-JXMROGBWSA-N 0 0 476.341 5.996 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc(-c2nc3ccccc3s2)c1O ZINC000014275101 555779462 /nfs/dbraw/zinc/77/94/62/555779462.db2.gz BTJSFQCMEIGMMT-UHFFFAOYSA-N 0 0 478.555 5.321 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014276022 555782530 /nfs/dbraw/zinc/78/25/30/555782530.db2.gz VBPXWBWUEQFARY-UHFFFAOYSA-N 0 0 480.727 5.398 40 5 JKBBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277734 555786634 /nfs/dbraw/zinc/78/66/34/555786634.db2.gz HUVVIBVSHIAARS-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277728 555786668 /nfs/dbraw/zinc/78/66/68/555786668.db2.gz WPRNSOYGCSVPSS-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000014277823 555786793 /nfs/dbraw/zinc/78/67/93/555786793.db2.gz FJODMSNIBWZNNQ-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014277747 555786870 /nfs/dbraw/zinc/78/68/70/555786870.db2.gz RGNAUJKDCZUVJG-UHFFFAOYSA-N 0 0 494.290 7.222 40 5 JKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277927 555787124 /nfs/dbraw/zinc/78/71/24/555787124.db2.gz NHIGIBXHJVSMJF-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014277868 555787203 /nfs/dbraw/zinc/78/72/03/555787203.db2.gz CJXDIQQIZLJIFL-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014278260 555787941 /nfs/dbraw/zinc/78/79/41/555787941.db2.gz XEYCVQJLDBVOGF-UHFFFAOYSA-N 0 0 478.291 7.115 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278245 555787983 /nfs/dbraw/zinc/78/79/83/555787983.db2.gz MPUPSGOLTYFXOI-UHFFFAOYSA-N 0 0 494.507 5.645 40 5 JKBBRN O=C(Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1)c1ccco1 ZINC000020411076 555788095 /nfs/dbraw/zinc/78/80/95/555788095.db2.gz QQIKRSFFYWGYOO-UHFFFAOYSA-N 0 0 474.454 5.562 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)c(C)c1 ZINC000014278541 555788809 /nfs/dbraw/zinc/78/88/09/555788809.db2.gz LSYXLLACASTUMI-UHFFFAOYSA-N 0 0 492.967 5.697 40 5 JKBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 ZINC000020411807 555789276 /nfs/dbraw/zinc/78/92/76/555789276.db2.gz ORMMZWSVOQAIAU-UHFFFAOYSA-N 0 0 468.535 5.012 40 5 JKBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000020411822 555789610 /nfs/dbraw/zinc/78/96/10/555789610.db2.gz HEFLJOWFZXMQDG-UHFFFAOYSA-N 0 0 451.460 5.282 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000020412164 555789846 /nfs/dbraw/zinc/78/98/46/555789846.db2.gz AYBNIQRESIKWDP-BMRADRMJSA-N 0 0 460.486 5.996 40 5 JKBBRN CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000020412573 555790396 /nfs/dbraw/zinc/79/03/96/555790396.db2.gz BGNDOBSRJRXBRB-UHFFFAOYSA-N 0 0 496.951 5.065 40 5 JKBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1 ZINC000020529047 555793683 /nfs/dbraw/zinc/79/36/83/555793683.db2.gz XUVKXPKXKNOGAZ-UHFFFAOYSA-N 0 0 492.963 5.025 40 5 JKBBRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@H]1C ZINC000020569788 555823182 /nfs/dbraw/zinc/82/31/82/555823182.db2.gz AASLOMJBKLCZLF-DUNDUCEESA-N 0 0 486.612 5.060 40 5 JKBBRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@H]1C ZINC000020569792 555823248 /nfs/dbraw/zinc/82/32/48/555823248.db2.gz AASLOMJBKLCZLF-BIJSUVFWSA-N 0 0 486.612 5.060 40 5 JKBBRN C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@@H](C)[C@@H]2C)c4=O)[C@@H]1C ZINC000020569790 555823260 /nfs/dbraw/zinc/82/32/60/555823260.db2.gz AASLOMJBKLCZLF-OSLLGUARSA-N 0 0 486.612 5.060 40 5 JKBBRN COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1 ZINC000014586207 555835647 /nfs/dbraw/zinc/83/56/47/555835647.db2.gz UVPJZTGMNXADMN-UHFFFAOYSA-N 0 0 461.499 5.655 40 5 JKBBRN CC(=O)Nc1ccc(Oc2cc(NC(=O)c3ccc(Cl)cc3Cl)cc([N+](=O)[O-])c2)cc1 ZINC000014921069 555841141 /nfs/dbraw/zinc/84/11/41/555841141.db2.gz QONMDPXBIADHFW-UHFFFAOYSA-N 0 0 460.273 5.905 40 5 JKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000021580574 555852581 /nfs/dbraw/zinc/85/25/81/555852581.db2.gz UOZXSAUGLTVCBW-UHFFFAOYSA-N 0 0 471.517 5.389 40 5 JKBBRN CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000021595903 555854280 /nfs/dbraw/zinc/85/42/80/555854280.db2.gz OWAOOMSFQZAVJA-DTQAZKPQSA-N 0 0 479.496 5.803 40 5 JKBBRN CCCCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccccc1-2 ZINC000015018372 555859067 /nfs/dbraw/zinc/85/90/67/555859067.db2.gz IONIJTWQWAWRMH-HSZRJFAPSA-N 0 0 489.557 6.411 40 5 JKBBRN CC1=C(/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@H](O)C1 ZINC000021985086 555859441 /nfs/dbraw/zinc/85/94/41/555859441.db2.gz LTAFGCWFKPSPGC-XLVNMLQSSA-N 0 0 486.740 8.431 40 5 JKBBRN Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c([N+](=O)[O-])c1 ZINC000015277455 555892794 /nfs/dbraw/zinc/89/27/94/555892794.db2.gz RVMLAYBUDJMBMD-UHFFFAOYSA-N 0 0 460.493 6.433 40 5 JKBBRN Cc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1C ZINC000015303443 555893935 /nfs/dbraw/zinc/89/39/35/555893935.db2.gz YPDWYLCKUHZXIM-UHFFFAOYSA-N 0 0 499.489 6.875 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000015303991 555894360 /nfs/dbraw/zinc/89/43/60/555894360.db2.gz ZRUQTOCFRPSGRQ-UHFFFAOYSA-N 0 0 471.218 6.965 40 5 JKBBRN CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000015304549 555894369 /nfs/dbraw/zinc/89/43/69/555894369.db2.gz RLLGLTGNNICWKH-FYJGNVAPSA-N 0 0 478.888 5.570 40 5 JKBBRN CCOc1cc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)ccc1OC(C)=O ZINC000015305936 555895091 /nfs/dbraw/zinc/89/50/91/555895091.db2.gz OYIHHRYQVVKRSK-UHFFFAOYSA-N 0 0 459.501 6.590 40 5 JKBBRN Cc1cccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)c1 ZINC000022257264 555904971 /nfs/dbraw/zinc/90/49/71/555904971.db2.gz QKULPXGZQCMQEB-UHFFFAOYSA-N 0 0 464.522 5.002 40 5 JKBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000022257396 555905290 /nfs/dbraw/zinc/90/52/90/555905290.db2.gz IAYFUEYPMIPOEG-UHFFFAOYSA-N 0 0 484.940 5.347 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000015659591 555922709 /nfs/dbraw/zinc/92/27/09/555922709.db2.gz CRGLESUARFMDBY-BKJLSBSTSA-N 0 0 478.504 5.027 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022535060 555932917 /nfs/dbraw/zinc/93/29/17/555932917.db2.gz GOPMHHMTVJTVER-QHHAFSJGSA-N 0 0 453.332 5.038 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000022562656 555934606 /nfs/dbraw/zinc/93/46/06/555934606.db2.gz FBOYMPDNDYKIDA-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2S3)cc1 ZINC000022564166 555935291 /nfs/dbraw/zinc/93/52/91/555935291.db2.gz LHVSXOGRYHWSOR-JOCHJYFZSA-N 0 0 457.511 5.244 40 5 JKBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022564820 555935569 /nfs/dbraw/zinc/93/55/69/555935569.db2.gz OXWPHIZOGYJSIJ-UHFFFAOYSA-N 0 0 458.293 5.381 40 5 JKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1Cl ZINC000022568496 555936820 /nfs/dbraw/zinc/93/68/20/555936820.db2.gz ACVDQBSVDJMVGW-UHFFFAOYSA-N 0 0 460.726 5.799 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022571340 555937420 /nfs/dbraw/zinc/93/74/20/555937420.db2.gz IJQZMCPKKAAMRJ-UHFFFAOYSA-N 0 0 462.893 5.909 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(C)c1 ZINC000022708182 555944813 /nfs/dbraw/zinc/94/48/13/555944813.db2.gz RGWILGODWAXJHP-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022709050 555945058 /nfs/dbraw/zinc/94/50/58/555945058.db2.gz FZKXJIXOELCRGN-UHFFFAOYSA-N 0 0 473.312 5.925 40 5 JKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000022740623 555948959 /nfs/dbraw/zinc/94/89/59/555948959.db2.gz FOXIGTYYRHZCMO-UHFFFAOYSA-N 0 0 483.480 6.541 40 5 JKBBRN C[C@H](OC(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000012311712 555950271 /nfs/dbraw/zinc/95/02/71/555950271.db2.gz OTKCOWCTUUTXNF-KKUMJFAQSA-N 0 0 494.375 5.568 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022746526 555951393 /nfs/dbraw/zinc/95/13/93/555951393.db2.gz MBGLBDZCJXGBEW-UHFFFAOYSA-N 0 0 488.573 5.107 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000022746394 555951416 /nfs/dbraw/zinc/95/14/16/555951416.db2.gz ZWHOGZJZGCUFQZ-UHFFFAOYSA-N 0 0 488.548 5.134 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 ZINC000022753021 555953049 /nfs/dbraw/zinc/95/30/49/555953049.db2.gz RDOIQRXHALWSJS-AWEZNQCLSA-N 0 0 494.345 6.931 40 5 JKBBRN O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c21)Nc1ccccc1[N+](=O)[O-] ZINC000012469702 555982053 /nfs/dbraw/zinc/98/20/53/555982053.db2.gz RQFMTYGMRWDVHW-UHFFFAOYSA-N 0 0 456.936 5.651 40 5 JKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000012485564 555987278 /nfs/dbraw/zinc/98/72/78/555987278.db2.gz ALODGYPKRHHYRY-UHFFFAOYSA-N 0 0 471.314 5.944 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4ccc(F)cc43)o2)cc1 ZINC000012486780 555988059 /nfs/dbraw/zinc/98/80/59/555988059.db2.gz CCAGOJLSVYBJDR-UHFFFAOYSA-N 0 0 459.462 5.686 40 5 JKBBRN O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000012851017 556117810 /nfs/dbraw/zinc/11/78/10/556117810.db2.gz CACWZHSYVDZDDS-PUHABZHSSA-N 0 0 493.519 6.025 40 5 JKBBRN COC(=O)c1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000016194140 556128589 /nfs/dbraw/zinc/12/85/89/556128589.db2.gz FXNMQOQRQZTZDT-SAPNQHFASA-N 0 0 467.485 5.829 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(-c2nc3ncccc3o2)c1O ZINC000016269617 556132015 /nfs/dbraw/zinc/13/20/15/556132015.db2.gz XXBOXZQAZYBBFS-UHFFFAOYSA-N 0 0 456.414 5.324 40 5 JKBBRN Cc1cc(C2=N/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)ccc1Br ZINC000016282113 556132263 /nfs/dbraw/zinc/13/22/63/556132263.db2.gz KGWCGQQFTWRAIU-WQRHYEAKSA-N 0 0 453.248 5.270 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000024522190 556133320 /nfs/dbraw/zinc/13/33/20/556133320.db2.gz DKIJVZNFHMTENK-UHFFFAOYSA-N 0 0 450.406 6.165 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)o2)cc1Cl ZINC000016313027 556134887 /nfs/dbraw/zinc/13/48/87/556134887.db2.gz NKBVZEKCKXDPLD-RMKNXTFCSA-N 0 0 486.355 5.832 40 5 JKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016399981 556137808 /nfs/dbraw/zinc/13/78/08/556137808.db2.gz VDCVEOICTZLDPO-UHFFFAOYSA-N 0 0 459.845 6.569 40 5 JKBBRN O=[N+]([O-])c1ccc2[nH]c(SCc3ccccc3CSc3nc4cc([N+](=O)[O-])ccc4[nH]3)nc2c1 ZINC000016450120 556139369 /nfs/dbraw/zinc/13/93/69/556139369.db2.gz YXYWJNLZWRDHJW-UHFFFAOYSA-N 0 0 492.542 5.840 40 5 JKBBRN O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3O)n2)c1 ZINC000016450491 556139812 /nfs/dbraw/zinc/13/98/12/556139812.db2.gz HWSANSQFHIOADY-PHEQNACWSA-N 0 0 481.468 6.083 40 5 JKBBRN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000016492249 556141268 /nfs/dbraw/zinc/14/12/68/556141268.db2.gz ZEPGBCBHVNNOBF-UHFFFAOYSA-N 0 0 487.415 6.995 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2cccc3ccccc32)c1)Nc1cccc2ccccc21 ZINC000016544978 556142727 /nfs/dbraw/zinc/14/27/27/556142727.db2.gz PNGLKKGRICVQFX-UHFFFAOYSA-N 0 0 491.507 7.189 40 5 JKBBRN O=[N+]([O-])c1ccc2nc(Nc3cccc4ccccc43)c(Nc3cccc4ccccc43)nc2c1 ZINC000016545046 556142821 /nfs/dbraw/zinc/14/28/21/556142821.db2.gz NAFSJZTVWRKLCL-UHFFFAOYSA-N 0 0 457.493 7.332 40 5 JKBBRN O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016545600 556143105 /nfs/dbraw/zinc/14/31/05/556143105.db2.gz HSGNHAYISXDLDQ-UHFFFAOYSA-N 0 0 477.476 6.259 40 5 JKBBRN CC(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000016574957 556144702 /nfs/dbraw/zinc/14/47/02/556144702.db2.gz MEOFDYBIGXNTQX-UHFFFAOYSA-N 0 0 462.458 5.021 40 5 JKBBRN CC1(C)C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000016577727 556145473 /nfs/dbraw/zinc/14/54/73/556145473.db2.gz QASRUQBWIJSWCO-MHECFPHRSA-N 0 0 498.540 5.031 40 5 JKBBRN CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2Cl)[C@@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000016605543 556145850 /nfs/dbraw/zinc/14/58/50/556145850.db2.gz SAJSUPBUUWZVLF-HHHXNRCGSA-N 0 0 489.959 5.464 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610661 556146357 /nfs/dbraw/zinc/14/63/57/556146357.db2.gz SKUKAWHPQUKDFE-RCLKMUNOSA-N 0 0 475.932 7.222 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610659 556146383 /nfs/dbraw/zinc/14/63/83/556146383.db2.gz SKUKAWHPQUKDFE-OQRGYWNNSA-N 0 0 475.932 7.222 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000016611075 556147262 /nfs/dbraw/zinc/14/72/62/556147262.db2.gz PXSQVAFRSPWXDN-OAHLLOKOSA-N 0 0 488.569 6.352 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000016611263 556148031 /nfs/dbraw/zinc/14/80/31/556148031.db2.gz HBWWQHSXMWYJCJ-HNNXBMFYSA-N 0 0 474.542 6.043 40 5 JKBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OC)cc1 ZINC000016682609 556151191 /nfs/dbraw/zinc/15/11/91/556151191.db2.gz RYQWEKGCWVBHTR-QHCPKHFHSA-N 0 0 480.908 5.159 40 5 JKBBRN CCO[P@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000016688041 556151804 /nfs/dbraw/zinc/15/18/04/556151804.db2.gz SIAZUKNREOTDBD-JXNPFXPLSA-N 0 0 480.417 5.741 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016691933 556153035 /nfs/dbraw/zinc/15/30/35/556153035.db2.gz NPLHETGMNAZWQI-AWNIVKPZSA-N 0 0 488.525 5.328 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 ZINC000016692055 556153398 /nfs/dbraw/zinc/15/33/98/556153398.db2.gz CYXHNKCRKMTZJG-UHFFFAOYSA-N 0 0 476.514 5.237 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1 ZINC000016692031 556153480 /nfs/dbraw/zinc/15/34/80/556153480.db2.gz LYJIVBRBBBPMHF-UHFFFAOYSA-N 0 0 496.932 5.582 40 5 JKBBRN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Sc2ccc([N+](=O)[O-])cc2)CS1 ZINC000016779174 556159127 /nfs/dbraw/zinc/15/91/27/556159127.db2.gz UOQVQXFGBAILGX-ICSRJNTNSA-N 0 0 481.624 5.839 40 5 JKBBRN CCOc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016789259 556160820 /nfs/dbraw/zinc/16/08/20/556160820.db2.gz BNLCGVPQAXDEGA-UHFFFAOYSA-N 0 0 462.531 5.446 40 5 JKBBRN COc1cc(/C=C/c2cc(/C=C\c3ccc(O)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O ZINC000016926272 556180646 /nfs/dbraw/zinc/18/06/46/556180646.db2.gz GKVKPJCQVGGHRF-KYPMKJFLSA-N 0 0 464.430 5.272 40 5 JKBBRN CCOc1ccccc1/C=C/c1cc(/C=C\c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016926290 556180685 /nfs/dbraw/zinc/18/06/85/556180685.db2.gz LCGDFKVPGMGRPZ-VCFJNTAESA-N 0 0 460.486 6.641 40 5 JKBBRN COc1ccccc1[C@H](Nc1ccc([N+](=O)[O-])cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 ZINC000016940759 556180980 /nfs/dbraw/zinc/18/09/80/556180980.db2.gz XGGDCOUBUFKJKG-AREMUKBSSA-N 0 0 490.452 7.065 40 5 JKBBRN CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OCCCOc1ccc(Cl)cc1 ZINC000026580613 556257520 /nfs/dbraw/zinc/25/75/20/556257520.db2.gz IMNBSEVXEATPTG-PDGQHHTCSA-N 0 0 494.978 5.824 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N[C@]1(c1c[nH]c2ccccc21)c1c[nH]c2ccc(Br)cc21 ZINC000017419297 556260698 /nfs/dbraw/zinc/26/06/98/556260698.db2.gz IGKHGLRADDVBRQ-XMMPIXPASA-N 0 0 487.313 5.872 40 5 JKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@@H]4C)c3cc2c1 ZINC000013086129 556285810 /nfs/dbraw/zinc/28/58/10/556285810.db2.gz QUIYOVPKFNGURB-INIZCTEOSA-N 0 0 470.623 6.079 40 5 JKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1nc2ccccc2s1 ZINC000013086154 556285834 /nfs/dbraw/zinc/28/58/34/556285834.db2.gz BESCBECGNXITAK-UHFFFAOYSA-N 0 0 473.608 6.042 40 5 JKBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4nc5c(s4)CCCC5)c3cc2c1 ZINC000013086150 556285918 /nfs/dbraw/zinc/28/59/18/556285918.db2.gz QHDMJXXZRGTPLM-UHFFFAOYSA-N 0 0 493.639 5.467 40 5 JKBBRN Cc1nc2ccccc2c2c(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c3ccccc3n21 ZINC000013096935 556292355 /nfs/dbraw/zinc/29/23/55/556292355.db2.gz AFTCEHAAARKGNR-UHFFFAOYSA-N 0 0 457.917 6.016 40 5 JKBBRN C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013134060 556361285 /nfs/dbraw/zinc/36/12/85/556361285.db2.gz MFWWICBCDMOQEH-FSNCLGKMSA-N 0 0 480.590 5.421 40 5 JKBBRN CC(C)(C)CC(C)(C)N(CSc1ccc([N+](=O)[O-])cc1)CSc1ccc([N+](=O)[O-])cc1 ZINC000031670211 556401886 /nfs/dbraw/zinc/40/18/86/556401886.db2.gz AMEGWKBKWKKPNQ-UHFFFAOYSA-N 0 0 463.625 6.819 40 5 JKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000032109342 556419058 /nfs/dbraw/zinc/41/90/58/556419058.db2.gz PNEGHMIDBNNMMG-UHFFFAOYSA-N 0 0 466.906 5.492 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112065 556421031 /nfs/dbraw/zinc/42/10/31/556421031.db2.gz HTOZVNAVLXLRMZ-UHFFFAOYSA-N 0 0 481.464 6.414 40 5 JKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000032114883 556421603 /nfs/dbraw/zinc/42/16/03/556421603.db2.gz IJKNIGFZNZHQOR-UHFFFAOYSA-N 0 0 488.859 5.461 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115162 556422132 /nfs/dbraw/zinc/42/21/32/556422132.db2.gz MJGSLTCOCVCJIC-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C=Cc4cccc([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000032116420 556423623 /nfs/dbraw/zinc/42/36/23/556423623.db2.gz BKDJDNJMVALHNI-YRNVUSSQSA-N 0 0 472.526 5.546 40 5 JKBBRN CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000032124586 556427245 /nfs/dbraw/zinc/42/72/45/556427245.db2.gz VVSXQOKGUSXYBY-MOSHPQCFSA-N 0 0 486.571 5.434 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCCC4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124796 556427821 /nfs/dbraw/zinc/42/78/21/556427821.db2.gz UYENPXZXBBIIOP-STZFKDTASA-N 0 0 497.598 5.103 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000032125193 556429162 /nfs/dbraw/zinc/42/91/62/556429162.db2.gz AIIBNFSUIPMUPA-CYBMUJFWSA-N 0 0 484.339 7.476 40 5 JKBBRN Cc1nnc2sc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c(C)c3)nn12 ZINC000057313087 569596413 /nfs/dbraw/zinc/59/64/13/569596413.db2.gz HGSYDOBBXFFWOX-UHFFFAOYSA-N 0 0 484.950 5.498 40 5 JKBBRN O=C(Nc1ccccc1I)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313041 569596439 /nfs/dbraw/zinc/59/64/39/569596439.db2.gz KMVWRJZMXRWXFK-UHFFFAOYSA-N 0 0 458.664 5.320 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057313013 569596479 /nfs/dbraw/zinc/59/64/79/569596479.db2.gz CKDBWPLHACWMOW-UHFFFAOYSA-N 0 0 455.518 5.627 40 5 JKBBRN CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nn12 ZINC000057313037 569596488 /nfs/dbraw/zinc/59/64/88/569596488.db2.gz DKQNFOKJFQEXKM-WYMLVPIESA-N 0 0 486.513 5.235 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2[N+](=O)[O-])CC1 ZINC000057313576 569596695 /nfs/dbraw/zinc/59/66/95/569596695.db2.gz XRDWJHKLKACNNQ-UHFFFAOYSA-N 0 0 475.389 6.121 40 5 JKBBRN CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ccccc5s4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057313596 569596719 /nfs/dbraw/zinc/59/67/19/569596719.db2.gz OTEDSDDXWPWWQY-UHFFFAOYSA-N 0 0 486.597 6.038 40 5 JKBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000057313833 569596868 /nfs/dbraw/zinc/59/68/68/569596868.db2.gz HKMKVXDIJJUOOW-ZRDIBKRKSA-N 0 0 486.513 5.290 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000057315661 569597114 /nfs/dbraw/zinc/59/71/14/569597114.db2.gz CCKICMIWLFNEFI-NTCAYCPXSA-N 0 0 472.884 6.391 40 5 JKBBRN COc1ccc(-c2csc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000057315779 569597232 /nfs/dbraw/zinc/59/72/32/569597232.db2.gz LVBXFRZOWDPRCJ-UHFFFAOYSA-N 0 0 452.536 5.216 40 5 JKBBRN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000057315703 569597268 /nfs/dbraw/zinc/59/72/68/569597268.db2.gz DUNMYKARAHXRLH-FMIVXFBMSA-N 0 0 480.952 5.302 40 5 JKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315909 569597320 /nfs/dbraw/zinc/59/73/20/569597320.db2.gz PZOKDIPLQKXSFN-UHFFFAOYSA-N 0 0 465.943 6.992 40 5 JKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 ZINC000057316099 569597517 /nfs/dbraw/zinc/59/75/17/569597517.db2.gz NYQARHRUWFJZTD-VOMSXAGXSA-N 0 0 493.585 5.818 40 5 JKBBRN O=C(Nc1ccc(I)cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057316118 569597519 /nfs/dbraw/zinc/59/75/19/569597519.db2.gz PEYOLYPMSZHVAO-UHFFFAOYSA-N 0 0 493.109 5.973 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317094 569598339 /nfs/dbraw/zinc/59/83/39/569598339.db2.gz VEIMYKZWMUGVDV-SDNWHVSQSA-N 0 0 493.313 6.207 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NCc1ccc(-c2nc3ncccc3o2)cc1 ZINC000057333752 569599014 /nfs/dbraw/zinc/59/90/14/569599014.db2.gz BMYQHDCYSGILLZ-WYMLVPIESA-N 0 0 466.453 5.388 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000059294174 569602479 /nfs/dbraw/zinc/60/24/79/569602479.db2.gz AOANUOSNHRSFBH-PKNBQFBNSA-N 0 0 462.443 5.538 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294641 569602586 /nfs/dbraw/zinc/60/25/86/569602586.db2.gz QUUWWPUVAZFAQH-UHFFFAOYSA-N 0 0 486.336 6.621 40 5 JKBBRN O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474800 569604510 /nfs/dbraw/zinc/60/45/10/569604510.db2.gz JWLCKEQPTKONIL-UHFFFAOYSA-N 0 0 470.576 5.454 40 5 JKBBRN CC1=NN(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000059482988 569604824 /nfs/dbraw/zinc/60/48/24/569604824.db2.gz MZINCGZQTYLKQV-NDEPHWFRSA-N 0 0 491.576 6.565 40 5 JKBBRN CCOc1ccc2nc(Sc3ccc([C@H]4NC(=O)c5ccccc5O4)cc3[N+](=O)[O-])sc2c1 ZINC000059488124 569605454 /nfs/dbraw/zinc/60/54/54/569605454.db2.gz AMCMVHSJZTUCBD-QFIPXVFZSA-N 0 0 479.539 5.575 40 5 JKBBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 ZINC000059490040 569606053 /nfs/dbraw/zinc/60/60/53/569606053.db2.gz CVLLSLJSDOXOFD-RUZDIDTESA-N 0 0 460.018 6.288 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3Br)n2)cc1 ZINC000033475789 569626773 /nfs/dbraw/zinc/62/67/73/569626773.db2.gz IMCIQTNLOWUWHK-UHFFFAOYSA-N 0 0 482.359 6.803 40 5 JKBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1Cl ZINC000033551014 569627669 /nfs/dbraw/zinc/62/76/69/569627669.db2.gz QBSUFHDZXTUGTR-UHFFFAOYSA-N 0 0 473.876 5.803 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000033693408 569630961 /nfs/dbraw/zinc/63/09/61/569630961.db2.gz KNXUZHBSFRMWAN-UHFFFAOYSA-N 0 0 460.751 5.897 40 5 JKBBRN O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000033705378 569631153 /nfs/dbraw/zinc/63/11/53/569631153.db2.gz ISEBAUKAEHAMEC-UHFFFAOYSA-N 0 0 484.600 5.066 40 5 JKBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000033743293 569633180 /nfs/dbraw/zinc/63/31/80/569633180.db2.gz APSFWTGEBCZPMF-UHFFFAOYSA-N 0 0 453.458 5.403 40 5 JKBBRN O=C1[C@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000033926912 569637719 /nfs/dbraw/zinc/63/77/19/569637719.db2.gz GJIMZCRNDFWIFS-JUDWXZBOSA-N 0 0 493.519 6.025 40 5 JKBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034763497 569658081 /nfs/dbraw/zinc/65/80/81/569658081.db2.gz QPHOFOGWWLCGDJ-UHFFFAOYSA-N 0 0 470.938 5.235 40 5 JKBBRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035077807 569674346 /nfs/dbraw/zinc/67/43/46/569674346.db2.gz DCGJFQDQISWVDS-UHFFFAOYSA-N 0 0 484.965 5.625 40 5 JKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147434 569675991 /nfs/dbraw/zinc/67/59/91/569675991.db2.gz BXCNNDUMKQHOIO-VWLOTQADSA-N 0 0 482.496 5.220 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000035167468 569677093 /nfs/dbraw/zinc/67/70/93/569677093.db2.gz DEBHAJZMAVEPDM-UHFFFAOYSA-N 0 0 460.536 7.472 40 5 JKBBRN Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000035201811 569678228 /nfs/dbraw/zinc/67/82/28/569678228.db2.gz AOMKNMPFSWFVCB-UHFFFAOYSA-N 0 0 498.524 5.024 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035269535 569679216 /nfs/dbraw/zinc/67/92/16/569679216.db2.gz IAZOVSUXRLFZCK-UHFFFAOYSA-N 0 0 461.861 6.013 40 5 JKBBRN O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000035377541 569685211 /nfs/dbraw/zinc/68/52/11/569685211.db2.gz OPYRSVAUTXDXIH-ODLFYWEKSA-N 0 0 485.315 5.854 40 5 JKBBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccc3cccc4ccc1c2c34)C(=O)OCc1ccccc1 ZINC000067794595 569690885 /nfs/dbraw/zinc/69/08/85/569690885.db2.gz NIELMORBCUHXFD-SANMLTNESA-N 0 0 479.576 6.763 40 5 JKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229281 569700660 /nfs/dbraw/zinc/70/06/60/569700660.db2.gz ZRDVXRLFDZROQN-LBPRGKRZSA-N 0 0 452.736 5.642 40 5 JKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229280 569700673 /nfs/dbraw/zinc/70/06/73/569700673.db2.gz ZRDVXRLFDZROQN-GFCCVEGCSA-N 0 0 452.736 5.642 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000072230000 569700761 /nfs/dbraw/zinc/70/07/61/569700761.db2.gz ZTQIMRHKENHXRS-VWLOTQADSA-N 0 0 479.964 5.819 40 5 JKBBRN CN1C(=O)S/C(=C/c2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)C1=O ZINC000083312618 569708489 /nfs/dbraw/zinc/70/84/89/569708489.db2.gz XZDYHAYEOWXNRH-JJIBRWJFSA-N 0 0 481.533 6.386 40 5 JKBBRN c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc43)cc2)cc1 ZINC000095871262 569729259 /nfs/dbraw/zinc/72/92/59/569729259.db2.gz KOIMINKJYIDAOZ-UHFFFAOYSA-N 0 0 482.626 10.661 40 5 JKBBRN C[C@H]1[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)CCC[C@@H]1C ZINC000036019151 569749685 /nfs/dbraw/zinc/74/96/85/569749685.db2.gz AASLOMJBKLCZLF-DUOVINJQSA-N 0 0 486.612 5.060 40 5 JKBBRN CC(C)[C@H]1CC[C@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000036020243 569750022 /nfs/dbraw/zinc/75/00/22/569750022.db2.gz MUSCJXZNWNRCOK-QHLUZPDOSA-N 0 0 470.549 9.486 40 5 JKBBRN Cc1c(Cl)c(C)c([N+](=O)[O-])c(-c2c([N+](=O)[O-])c(C)c(Cl)c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000100099222 569752965 /nfs/dbraw/zinc/75/29/65/569752965.db2.gz WOHNDUMENLKSGU-UHFFFAOYSA-N 0 0 459.198 5.527 40 5 JKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@H](c1c[nH]c2ccc(COc4ccccc4)cc21)C3O ZINC000100134560 569753497 /nfs/dbraw/zinc/75/34/97/569753497.db2.gz WGJXIOWPAXJFGE-XMMPIXPASA-N 0 0 454.442 5.652 40 5 in-vitro JKBBRN O=[N+]([O-])c1ccc(Oc2cccc3c(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cccc23)c([N+](=O)[O-])c1 ZINC000100170986 569754729 /nfs/dbraw/zinc/75/47/29/569754729.db2.gz SOWLXZPSWYDXFJ-UHFFFAOYSA-N 0 0 492.356 6.057 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000036316834 569763282 /nfs/dbraw/zinc/76/32/82/569763282.db2.gz DCAZCKMMEAPQGQ-WWQFTLRMSA-N 0 0 499.592 5.030 40 5 JKBBRN Cc1ccc(Oc2cc(NC(=O)c3cc4nc(C5CC5)cc(C(F)(F)F)n4n3)cc([N+](=O)[O-])c2)cc1 ZINC000036611136 569777489 /nfs/dbraw/zinc/77/74/89/569777489.db2.gz DRXFJJLIKDSIJN-UHFFFAOYSA-N 0 0 497.433 5.887 40 5 JKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000036619631 569778676 /nfs/dbraw/zinc/77/86/76/569778676.db2.gz FZQSDUUYNATYJZ-VWLOTQADSA-N 0 0 482.496 5.220 40 5 JKBBRN CC(=O)c1sc(=Nc2ccccc2)n(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C ZINC000101375731 569795202 /nfs/dbraw/zinc/79/52/02/569795202.db2.gz VVLNSKLYHZKENL-QOMWVZHYSA-N 0 0 464.469 5.332 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1NC(=O)c1cccc2ccccc21 ZINC000039772146 569811826 /nfs/dbraw/zinc/81/18/26/569811826.db2.gz RBVQNUYAPGIYEP-UHFFFAOYSA-N 0 0 495.520 5.771 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000039860675 569812123 /nfs/dbraw/zinc/81/21/23/569812123.db2.gz DGKPFCDGAUHZDY-VCHYOVAHSA-N 0 0 461.282 6.403 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)[C@@H]2C(=O)N1c1ccc(F)cc1 ZINC000102741965 569819126 /nfs/dbraw/zinc/81/91/26/569819126.db2.gz KHIKRHXUAYKXPT-GVAUOCQISA-N 0 0 499.454 5.045 40 5 JKBBRN Oc1c2c(c(O)n1-c1ccc(F)cc1)[C@H](c1c3ccccc3cc3ccccc31)N(c1ccccc1)O2 ZINC000102753798 569821092 /nfs/dbraw/zinc/82/10/92/569821092.db2.gz CFQJURVDZRPFOM-AWCRTANDSA-N 0 0 488.518 6.183 40 5 JKBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102752878 569821132 /nfs/dbraw/zinc/82/11/32/569821132.db2.gz TZGJHJKWADXIOC-UODIDJSMSA-N 0 0 479.492 5.108 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000102773753 569823607 /nfs/dbraw/zinc/82/36/07/569823607.db2.gz DCAZCKMMEAPQGQ-PAHOUZJPSA-N 0 0 499.592 5.030 40 5 JKBBRN O=c1c2cc3c(=O)n(-c4cc(Cl)cc(Cl)c4)ccc3nc2ccn1Cc1ccccc1F ZINC000040398715 569825971 /nfs/dbraw/zinc/82/59/71/569825971.db2.gz SLQDNOCUOIBSNQ-UHFFFAOYSA-N 0 0 466.299 5.195 40 5 JKBBRN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)c2)c1 ZINC000041091608 569837598 /nfs/dbraw/zinc/83/75/98/569837598.db2.gz MYXHMNBIMJIXKJ-UHFFFAOYSA-N 0 0 472.545 5.644 40 5 JKBBRN Cc1cccc(C(=O)Nc2cccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2)c1 ZINC000041091613 569837629 /nfs/dbraw/zinc/83/76/29/569837629.db2.gz LDWNIDPIDRVSFL-UHFFFAOYSA-N 0 0 465.918 6.276 40 5 JKBBRN CC1(C)[C@]2(c3ccccc3)[C@H]3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@@H]3[C@]12c1ccccc1 ZINC000045070253 569840000 /nfs/dbraw/zinc/84/00/00/569840000.db2.gz TTYZBJSFCZZGFK-JOQJHHFZSA-N 0 0 484.508 5.594 40 5 JKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br ZINC000106732451 569855229 /nfs/dbraw/zinc/85/52/29/569855229.db2.gz DVCWNMQLDOASDY-NVNXTCNLSA-N 0 0 453.701 5.247 40 5 JKBBRN CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000104171175 569842393 /nfs/dbraw/zinc/84/23/93/569842393.db2.gz HSJXQVJBZXRPMR-IZHYLOQSSA-N 0 0 490.497 5.162 40 5 JKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000106680226 569854503 /nfs/dbraw/zinc/85/45/03/569854503.db2.gz JXFUSABGEGGGOX-XKZIYDEJSA-N 0 0 490.493 5.059 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106685875 569854596 /nfs/dbraw/zinc/85/45/96/569854596.db2.gz YBABLUAGEGRBPI-XKZIYDEJSA-N 0 0 480.929 6.064 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000106687993 569854636 /nfs/dbraw/zinc/85/46/36/569854636.db2.gz WKNRRMNXUNHNMV-JAIQZWGSSA-N 0 0 454.891 6.053 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 ZINC000106701649 569854783 /nfs/dbraw/zinc/85/47/83/569854783.db2.gz MYSLRVZYGFBHHK-UUYOSTAYSA-N 0 0 491.481 5.840 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106726942 569855169 /nfs/dbraw/zinc/85/51/69/569855169.db2.gz UFFNBIVPZFUEPB-QQXSKIMKSA-N 0 0 496.544 6.564 40 5 JKBBRN CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br ZINC000106727850 569855232 /nfs/dbraw/zinc/85/52/32/569855232.db2.gz WHPYLZAKCXXGRE-ZDLGFXPLSA-N 0 0 477.336 5.381 40 5 JKBBRN CCOc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000106739123 569855351 /nfs/dbraw/zinc/85/53/51/569855351.db2.gz STOYBSWWYAGPKG-NVMNQCDNSA-N 0 0 493.335 5.001 40 5 JKBBRN Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)c3ccccc32)cc1 ZINC000106741006 569855387 /nfs/dbraw/zinc/85/53/87/569855387.db2.gz RJJBALZBFJKHBH-QFEZKATASA-N 0 0 483.549 6.143 40 5 JKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106743676 569855415 /nfs/dbraw/zinc/85/54/15/569855415.db2.gz FNTFTDUSLTUIOB-WQRHYEAKSA-N 0 0 472.931 6.229 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745884 569855420 /nfs/dbraw/zinc/85/54/20/569855420.db2.gz FHIHECLWHOGJHX-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Br ZINC000106745138 569855453 /nfs/dbraw/zinc/85/54/53/569855453.db2.gz GLZCVZJGHQNEJE-WQRHYEAKSA-N 0 0 477.336 5.383 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000107652748 569856943 /nfs/dbraw/zinc/85/69/43/569856943.db2.gz NVXKSHNAJMMBEQ-GFCCVEGCSA-N 0 0 480.377 5.296 40 5 JKBBRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 ZINC000108213521 569859061 /nfs/dbraw/zinc/85/90/61/569859061.db2.gz PACGNHMRONHTFV-ONEGZZNKSA-N 0 0 481.955 6.345 40 5 JKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000108217369 569859120 /nfs/dbraw/zinc/85/91/20/569859120.db2.gz HYDVLJGALVNTJY-ZRDIBKRKSA-N 0 0 451.479 5.211 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C(C)C ZINC000108949331 569859980 /nfs/dbraw/zinc/85/99/80/569859980.db2.gz MLGZIGICYFKXQB-QBFSEMIESA-N 0 0 465.506 5.601 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000108983810 569860135 /nfs/dbraw/zinc/86/01/35/569860135.db2.gz KPLFTBMTEXBYCA-HXUWFJFHSA-N 0 0 488.013 5.669 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](CC(C)C)NC(=O)c1ccccc1Cl ZINC000108983812 569860211 /nfs/dbraw/zinc/86/02/11/569860211.db2.gz KPLFTBMTEXBYCA-FQEVSTJZSA-N 0 0 488.013 5.669 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833926 569862127 /nfs/dbraw/zinc/86/21/27/569862127.db2.gz WEVRNXGQZFCAOA-HZHRSRAPSA-N 0 0 476.510 5.813 40 5 JKBBRN COc1ccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000113928919 569862282 /nfs/dbraw/zinc/86/22/82/569862282.db2.gz CTCXMAMCSNNZCY-MUUNZHRXSA-N 0 0 479.536 5.965 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@](Cl)([N+](=O)[O-])[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118928899 569863863 /nfs/dbraw/zinc/86/38/63/569863863.db2.gz QOMCHSBQXXXJGP-UEWDELQXSA-N 0 0 452.123 8.320 40 5 JKBBRN Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000197917554 569873830 /nfs/dbraw/zinc/87/38/30/569873830.db2.gz QSCODDFOVNRNSG-UHFFFAOYSA-N 0 0 475.555 5.312 40 5 JKBBRN CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000205672673 569874052 /nfs/dbraw/zinc/87/40/52/569874052.db2.gz CDJDOOGJTWOFBP-RQZCQDPDSA-N 0 0 496.419 5.005 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000205666649 569874054 /nfs/dbraw/zinc/87/40/54/569874054.db2.gz JEZUOFQWVYDMHS-DNTJNYDQSA-N 0 0 484.873 5.473 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCC ZINC000205702333 569874171 /nfs/dbraw/zinc/87/41/71/569874171.db2.gz WEZJQICMWVYQLT-WOJGMQOQSA-N 0 0 462.911 5.282 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205701715 569874193 /nfs/dbraw/zinc/87/41/93/569874193.db2.gz KZINSUQHTQOBPJ-VXLYETTFSA-N 0 0 485.861 5.653 40 5 JKBBRN O=C1S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000208712332 569875910 /nfs/dbraw/zinc/87/59/10/569875910.db2.gz VWRINWDGRDJGLW-NDENLUEZSA-N 0 0 486.427 6.647 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1Cl ZINC000214116357 569876372 /nfs/dbraw/zinc/87/63/72/569876372.db2.gz WZTUMVNSMSUUNB-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214151498 569876415 /nfs/dbraw/zinc/87/64/15/569876415.db2.gz KPPUWHRDNXVBJT-UDWIEESQSA-N 0 0 463.471 5.027 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1F ZINC000214330289 569876542 /nfs/dbraw/zinc/87/65/42/569876542.db2.gz GDWIAJGMVAGQBP-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1F ZINC000214351361 569876585 /nfs/dbraw/zinc/87/65/85/569876585.db2.gz JSYIMTVILVCBLD-SRZZPIQSSA-N 0 0 495.444 5.671 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1F ZINC000214358559 569876620 /nfs/dbraw/zinc/87/66/20/569876620.db2.gz VGKTXBYBQDWHJF-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)cc1 ZINC000214449261 569876668 /nfs/dbraw/zinc/87/66/68/569876668.db2.gz HHOLDYWZYNJDPE-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214426746 569876681 /nfs/dbraw/zinc/87/66/81/569876681.db2.gz JFPBHGMONZBKKQ-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000214521205 569876739 /nfs/dbraw/zinc/87/67/39/569876739.db2.gz JGKIPUUHXHVHRA-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214569614 569876741 /nfs/dbraw/zinc/87/67/41/569876741.db2.gz BNSNLQJZUYCZHG-ZVHZXABRSA-N 0 0 490.537 5.727 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214524867 569876781 /nfs/dbraw/zinc/87/67/81/569876781.db2.gz DCTDGLHJIOWOAQ-CIAFOILYSA-N 0 0 477.498 5.336 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)o1 ZINC000214623678 569876832 /nfs/dbraw/zinc/87/68/32/569876832.db2.gz IPXOCWZETPTQLM-CIAFOILYSA-N 0 0 450.472 5.408 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214747854 569876919 /nfs/dbraw/zinc/87/69/19/569876919.db2.gz PEBVADLIIYPLIF-AFUMVMLFSA-N 0 0 484.533 6.861 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000214792178 569876958 /nfs/dbraw/zinc/87/69/58/569876958.db2.gz AWRQHWBHWAPSCV-KEBDBYFISA-N 0 0 489.336 6.707 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214810960 569876991 /nfs/dbraw/zinc/87/69/91/569876991.db2.gz WZYPGVDMOBCKEM-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000214859453 569877040 /nfs/dbraw/zinc/87/70/40/569877040.db2.gz UARRRISFHVRVGQ-KEBDBYFISA-N 0 0 489.336 6.707 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214982297 569877047 /nfs/dbraw/zinc/87/70/47/569877047.db2.gz LUZIZZXWMWGTTR-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Br)cc1 ZINC000214907111 569877053 /nfs/dbraw/zinc/87/70/53/569877053.db2.gz BSUGFMSOJNXLHY-OEAKJJBVSA-N 0 0 474.379 6.992 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000214920223 569877090 /nfs/dbraw/zinc/87/70/90/569877090.db2.gz JIRZOMVPNLPCQF-RGVLZGJSSA-N 0 0 499.342 6.162 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215027056 569877123 /nfs/dbraw/zinc/87/71/23/569877123.db2.gz WJYBFJFMIZUXBK-VCHYOVAHSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3cccc4ccccc43)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215017513 569877128 /nfs/dbraw/zinc/87/71/28/569877128.db2.gz IWEHWBSKXMIHBC-WGOQTCKBSA-N 0 0 496.544 6.564 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000215280312 569877327 /nfs/dbraw/zinc/87/73/27/569877327.db2.gz SBHNNVLPAXYRMC-LICLKQGHSA-N 0 0 493.335 5.001 40 5 JKBBRN c1ccc2cc(-c3c4ccccc4c(-c4c5ccccc5cc5ccccc54)c4ccccc43)ccc2c1 ZINC000222961219 569895497 /nfs/dbraw/zinc/89/54/97/569895497.db2.gz FZVZZGGJKOFZSQ-UHFFFAOYSA-N 0 0 480.610 10.787 40 5 JKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222986318 569896186 /nfs/dbraw/zinc/89/61/86/569896186.db2.gz QBOHRUKXYBWKIS-FCHUYYIVSA-N 0 0 452.536 5.031 40 5 JKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222986263 569896204 /nfs/dbraw/zinc/89/62/04/569896204.db2.gz QBOHRUKXYBWKIS-YADHBBJMSA-N 0 0 452.536 5.031 40 5 JKBBRN CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222986374 569896269 /nfs/dbraw/zinc/89/62/69/569896269.db2.gz QBOHRUKXYBWKIS-FGZHOGPDSA-N 0 0 452.536 5.031 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223118919 569899980 /nfs/dbraw/zinc/89/99/80/569899980.db2.gz VTVCNVXSPCEKSZ-DNQXCXABSA-N 0 0 478.574 5.564 40 5 JKBBRN COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1C(C)C ZINC000223270208 569905547 /nfs/dbraw/zinc/90/55/47/569905547.db2.gz FNPKKUOYNJVMGU-RHKYMZEHSA-N 0 0 458.558 6.453 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223320779 569907440 /nfs/dbraw/zinc/90/74/40/569907440.db2.gz QXHJMBPTBVCNBY-AJTFRIOCSA-N 0 0 487.600 5.001 40 5 JKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223362498 569908766 /nfs/dbraw/zinc/90/87/66/569908766.db2.gz JUEAQDAJIFCDFN-OAQYLSRUSA-N 0 0 492.041 5.204 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 ZINC000223406624 569910180 /nfs/dbraw/zinc/91/01/80/569910180.db2.gz ITUGWKCLKDPDGG-RPWUZVMVSA-N 0 0 456.527 5.423 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 ZINC000223406669 569910201 /nfs/dbraw/zinc/91/02/01/569910201.db2.gz ITUGWKCLKDPDGG-BJKOFHAPSA-N 0 0 456.527 5.423 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223433532 569911248 /nfs/dbraw/zinc/91/12/48/569911248.db2.gz YJDLXXSJXAJMPE-AMGIVPHBSA-N 0 0 487.600 5.001 40 5 JKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223433472 569911252 /nfs/dbraw/zinc/91/12/52/569911252.db2.gz YJDLXXSJXAJMPE-WXVAWEFUSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223437461 569911401 /nfs/dbraw/zinc/91/14/01/569911401.db2.gz DXFCVCLAKMRJCX-JWQCQUIFSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223782661 569923178 /nfs/dbraw/zinc/92/31/78/569923178.db2.gz KYLAKQQKRBOBST-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223830213 569924559 /nfs/dbraw/zinc/92/45/59/569924559.db2.gz HGPALJHWEJRCRU-JWQCQUIFSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223829814 569924565 /nfs/dbraw/zinc/92/45/65/569924565.db2.gz IFMRVRLSAFBHGG-DQEYMECFSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223833124 569924669 /nfs/dbraw/zinc/92/46/69/569924669.db2.gz ZNXIFLSHPMDYAI-LOSJGSFVSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223841549 569924876 /nfs/dbraw/zinc/92/48/76/569924876.db2.gz DWKUNRHONIEVBR-RPBOFIJWSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223841350 569924887 /nfs/dbraw/zinc/92/48/87/569924887.db2.gz ROGYTNZJJMSZNA-LOSJGSFVSA-N 0 0 486.553 5.826 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223873024 569925814 /nfs/dbraw/zinc/92/58/14/569925814.db2.gz IMPISVXFLQKTPB-PKTZIBPZSA-N 0 0 458.499 5.133 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223877105 569925942 /nfs/dbraw/zinc/92/59/42/569925942.db2.gz HNQVGNOZMFMGIX-RPWUZVMVSA-N 0 0 488.525 5.141 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223908726 569926943 /nfs/dbraw/zinc/92/69/43/569926943.db2.gz PYRZFHBRVSGRRM-JWQCQUIFSA-N 0 0 484.585 5.024 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223990050 569929649 /nfs/dbraw/zinc/92/96/49/569929649.db2.gz GHVXCBOFWQEPBW-JWQCQUIFSA-N 0 0 499.552 5.385 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223998160 569929900 /nfs/dbraw/zinc/92/99/00/569929900.db2.gz DQBUQQFDGTZMDF-JWQCQUIFSA-N 0 0 499.552 5.385 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224029050 569931171 /nfs/dbraw/zinc/93/11/71/569931171.db2.gz VJGFKFHTMVGEMB-DNQXCXABSA-N 0 0 486.509 5.156 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 ZINC000224037034 569931417 /nfs/dbraw/zinc/93/14/17/569931417.db2.gz LWVMJCQZYHKVGR-ZEQRLZLVSA-N 0 0 486.509 5.156 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 ZINC000224036977 569931434 /nfs/dbraw/zinc/93/14/34/569931434.db2.gz LWVMJCQZYHKVGR-BJKOFHAPSA-N 0 0 486.509 5.156 40 5 JKBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224196964 569936067 /nfs/dbraw/zinc/93/60/67/569936067.db2.gz RIBAFUCCGRISNP-AREMUKBSSA-N 0 0 487.600 5.001 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224221860 569937029 /nfs/dbraw/zinc/93/70/29/569937029.db2.gz NQVXXWBENKKDME-RPWUZVMVSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224221946 569937057 /nfs/dbraw/zinc/93/70/57/569937057.db2.gz NQVXXWBENKKDME-DNQXCXABSA-N 0 0 456.527 5.735 40 5 JKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224223426 569937069 /nfs/dbraw/zinc/93/70/69/569937069.db2.gz AHYHGKYVHKVQEH-UHFFFAOYSA-N 0 0 468.509 6.410 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224222051 569937092 /nfs/dbraw/zinc/93/70/92/569937092.db2.gz QMPFXEPEFLZJHZ-RPWUZVMVSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224222129 569937096 /nfs/dbraw/zinc/93/70/96/569937096.db2.gz QMPFXEPEFLZJHZ-DNQXCXABSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224222082 569937118 /nfs/dbraw/zinc/93/71/18/569937118.db2.gz QMPFXEPEFLZJHZ-BJKOFHAPSA-N 0 0 456.527 5.735 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224243591 569937874 /nfs/dbraw/zinc/93/78/74/569937874.db2.gz FJDVVUWUYWSYGT-DEOSSOPVSA-N 0 0 483.634 5.003 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 ZINC000224251583 569938152 /nfs/dbraw/zinc/93/81/52/569938152.db2.gz KUFDBGXVEATMFB-DQEYMECFSA-N 0 0 486.553 5.744 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224254798 569938249 /nfs/dbraw/zinc/93/82/49/569938249.db2.gz FPBYXGRFAZPVDA-RPWUZVMVSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224254552 569938254 /nfs/dbraw/zinc/93/82/54/569938254.db2.gz XHDPJYUSXLJISX-ZEQRLZLVSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000224280884 569939155 /nfs/dbraw/zinc/93/91/55/569939155.db2.gz JTNGBWNXIIYFGK-LOSJGSFVSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224313449 569940150 /nfs/dbraw/zinc/94/01/50/569940150.db2.gz ZXIFVDIUMLWPBV-JWQCQUIFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224315774 569940225 /nfs/dbraw/zinc/94/02/25/569940225.db2.gz RIZJRJGEFBRCBE-JWQCQUIFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224322259 569940495 /nfs/dbraw/zinc/94/04/95/569940495.db2.gz ZBKDHPOZKUOPTF-DQEYMECFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224322205 569940502 /nfs/dbraw/zinc/94/05/02/569940502.db2.gz JLGWIBLGYKILSP-JWQCQUIFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224322399 569940535 /nfs/dbraw/zinc/94/05/35/569940535.db2.gz ZBKDHPOZKUOPTF-JWQCQUIFSA-N 0 0 470.554 6.044 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224345642 569941322 /nfs/dbraw/zinc/94/13/22/569941322.db2.gz KTHDXBZXYUHAHS-DQEYMECFSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224345982 569941369 /nfs/dbraw/zinc/94/13/69/569941369.db2.gz VEWFVZBNHQEIMK-JWQCQUIFSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224348245 569941411 /nfs/dbraw/zinc/94/14/11/569941411.db2.gz SHQOOYOHLJRIJG-JWQCQUIFSA-N 0 0 470.554 5.989 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224378136 569942493 /nfs/dbraw/zinc/94/24/93/569942493.db2.gz KSSRULBACFGCLS-FTJBHMTQSA-N 0 0 483.597 6.081 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224380404 569942597 /nfs/dbraw/zinc/94/25/97/569942597.db2.gz MMOKTWKZURPYQM-FTJBHMTQSA-N 0 0 484.581 6.550 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224386983 569942885 /nfs/dbraw/zinc/94/28/85/569942885.db2.gz AECILSYTIXBVES-FTJBHMTQSA-N 0 0 484.581 6.550 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 ZINC000224415133 569943921 /nfs/dbraw/zinc/94/39/21/569943921.db2.gz JLWJLQNXIDPMMG-DNQXCXABSA-N 0 0 490.516 5.575 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 ZINC000224418465 569943930 /nfs/dbraw/zinc/94/39/30/569943930.db2.gz CRLFMSXUHQVQOU-DHIUTWEWSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 ZINC000224418416 569943958 /nfs/dbraw/zinc/94/39/58/569943958.db2.gz LUEFCOOXTQFHSQ-GOTSBHOMSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 ZINC000224418510 569943971 /nfs/dbraw/zinc/94/39/71/569943971.db2.gz CRLFMSXUHQVQOU-PKTZIBPZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 ZINC000224418587 569943996 /nfs/dbraw/zinc/94/39/96/569943996.db2.gz CRLFMSXUHQVQOU-GOTSBHOMSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224442971 569944706 /nfs/dbraw/zinc/94/47/06/569944706.db2.gz JJUVPWRYAYPPTO-DHIUTWEWSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 ZINC000224445452 569944748 /nfs/dbraw/zinc/94/47/48/569944748.db2.gz KJSMDVGYDWXHIT-GOTSBHOMSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 ZINC000224451844 569944946 /nfs/dbraw/zinc/94/49/46/569944946.db2.gz RACSCUPHXNYNFJ-GOTSBHOMSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224474571 569945582 /nfs/dbraw/zinc/94/55/82/569945582.db2.gz CBHWADYYDBILOF-GOTSBHOMSA-N 0 0 475.961 5.611 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 ZINC000224482410 569945865 /nfs/dbraw/zinc/94/58/65/569945865.db2.gz LCIBJRSBXOMSRL-DHIUTWEWSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 ZINC000224482457 569945884 /nfs/dbraw/zinc/94/58/84/569945884.db2.gz LCIBJRSBXOMSRL-PKTZIBPZSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 ZINC000224482526 569945901 /nfs/dbraw/zinc/94/59/01/569945901.db2.gz LCIBJRSBXOMSRL-GOTSBHOMSA-N 0 0 476.945 6.080 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224493220 569946209 /nfs/dbraw/zinc/94/62/09/569946209.db2.gz YHGVHJBENDZWDJ-NRFANRHFSA-N 0 0 492.403 5.310 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224526890 569947235 /nfs/dbraw/zinc/94/72/35/569947235.db2.gz RGNRXUUPNIHXFP-UHFFFAOYSA-N 0 0 462.546 6.431 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 ZINC000224623785 569951206 /nfs/dbraw/zinc/95/12/06/569951206.db2.gz ZSVZKWBFZZDXDG-GOTSBHOMSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 ZINC000224623742 569951246 /nfs/dbraw/zinc/95/12/46/569951246.db2.gz ZSVZKWBFZZDXDG-XZOQPEGZSA-N 0 0 458.499 5.133 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc2ccccc21 ZINC000224636095 569951766 /nfs/dbraw/zinc/95/17/66/569951766.db2.gz IBXPIKVIVWDXDK-UHFFFAOYSA-N 0 0 456.498 6.286 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc2ccccc21 ZINC000224636152 569951794 /nfs/dbraw/zinc/95/17/94/569951794.db2.gz PWYYGPJIZKLPFB-UHFFFAOYSA-N 0 0 456.498 6.286 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 ZINC000224760313 569956435 /nfs/dbraw/zinc/95/64/35/569956435.db2.gz OGRJKHNOMWPBGY-DHIUTWEWSA-N 0 0 474.567 5.911 40 5 JKBBRN Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224760375 569956445 /nfs/dbraw/zinc/95/64/45/569956445.db2.gz FFSJDUMJACTHHH-DNQXCXABSA-N 0 0 488.594 6.220 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 ZINC000224761846 569956538 /nfs/dbraw/zinc/95/65/38/569956538.db2.gz LHQTXIFVRSNUAU-XZOQPEGZSA-N 0 0 473.583 5.646 40 5 JKBBRN Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 ZINC000224791112 569957737 /nfs/dbraw/zinc/95/77/37/569957737.db2.gz KQLXEOUBZBHWKL-ZEQRLZLVSA-N 0 0 487.610 5.955 40 5 JKBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224792638 569957831 /nfs/dbraw/zinc/95/78/31/569957831.db2.gz WRUUBASAWIQFJM-MUUNZHRXSA-N 0 0 499.611 5.145 40 5 JKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224812480 569958656 /nfs/dbraw/zinc/95/86/56/569958656.db2.gz UHKUZMOXVPOYLS-HXUWFJFHSA-N 0 0 480.392 5.024 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 ZINC000224881379 569961694 /nfs/dbraw/zinc/96/16/94/569961694.db2.gz KMORXUVTJRITEM-GOTSBHOMSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 ZINC000224887349 569961894 /nfs/dbraw/zinc/96/18/94/569961894.db2.gz BALQOEMNPSHEND-DHIUTWEWSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 ZINC000224887294 569961942 /nfs/dbraw/zinc/96/19/42/569961942.db2.gz NPBMPCFBKHGKTC-GOTSBHOMSA-N 0 0 492.944 5.786 40 5 JKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224906320 569962800 /nfs/dbraw/zinc/96/28/00/569962800.db2.gz VPKATHOOARWANZ-INIZCTEOSA-N 0 0 492.403 5.310 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F ZINC000224908376 569962898 /nfs/dbraw/zinc/96/28/98/569962898.db2.gz OZCLKDRQCOTHOP-BJKOFHAPSA-N 0 0 473.533 5.405 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000224908469 569962922 /nfs/dbraw/zinc/96/29/22/569962922.db2.gz HECPNSCMXQBRMT-ZEQRLZLVSA-N 0 0 473.533 5.405 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F ZINC000224910601 569963000 /nfs/dbraw/zinc/96/30/00/569963000.db2.gz TWNGNTRSHVDMRX-BJKOFHAPSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F ZINC000224916719 569963317 /nfs/dbraw/zinc/96/33/17/569963317.db2.gz IUJUNNAEZSIYKP-ZEQRLZLVSA-N 0 0 474.517 5.874 40 5 JKBBRN CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 ZINC000224937634 569964102 /nfs/dbraw/zinc/96/41/02/569964102.db2.gz QSOVNVSGOUWBJT-KRWDZBQOSA-N 0 0 496.029 5.161 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 ZINC000224946862 569964489 /nfs/dbraw/zinc/96/44/89/569964489.db2.gz MYJOCSFLJPRIBR-UHFFFAOYSA-N 0 0 478.302 6.240 40 5 JKBBRN CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br ZINC000408600041 569968328 /nfs/dbraw/zinc/96/83/28/569968328.db2.gz RVMWNZSVSYQMCG-GRSHGNNSSA-N 0 0 491.363 5.629 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225005652 569968738 /nfs/dbraw/zinc/96/87/38/569968738.db2.gz QDFIVJCVGHPFRJ-DEOSSOPVSA-N 0 0 483.634 5.084 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604030 569970233 /nfs/dbraw/zinc/97/02/33/569970233.db2.gz CUOLQCDOMGDJOM-UHFFFAOYSA-N 0 0 457.870 5.746 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225029716 569970234 /nfs/dbraw/zinc/97/02/34/569970234.db2.gz HRQBTARWVOJQOQ-XZOQPEGZSA-N 0 0 464.547 5.174 40 5 JKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408604117 569970256 /nfs/dbraw/zinc/97/02/56/569970256.db2.gz DLAGUBYFWFUSFI-UHFFFAOYSA-N 0 0 487.261 7.333 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000408605619 569970846 /nfs/dbraw/zinc/97/08/46/569970846.db2.gz GFYLOBRVJUKTDI-UHFFFAOYSA-N 0 0 475.314 6.086 40 5 JKBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)c1[N+](=O)[O-] ZINC000408607633 569971619 /nfs/dbraw/zinc/97/16/19/569971619.db2.gz UDBQPRJOWHTVJU-QPJJXVBHSA-N 0 0 482.707 6.039 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408608973 569971973 /nfs/dbraw/zinc/97/19/73/569971973.db2.gz NHPWNBHSKVBTMI-UHFFFAOYSA-N 0 0 481.763 7.145 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408609059 569971980 /nfs/dbraw/zinc/97/19/80/569971980.db2.gz NRMVQZWAEFUOJC-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 ZINC000225053078 569972044 /nfs/dbraw/zinc/97/20/44/569972044.db2.gz OGVSHSGEWHNHLC-CLJLJLNGSA-N 0 0 498.612 5.255 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225055448 569972290 /nfs/dbraw/zinc/97/22/90/569972290.db2.gz KLQOVDLNVAPPGI-UIOOFZCWSA-N 0 0 499.596 5.725 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408610577 569972466 /nfs/dbraw/zinc/97/24/66/569972466.db2.gz QHAYHDLXPFWSTC-UHFFFAOYSA-N 0 0 457.324 5.865 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408610667 569972543 /nfs/dbraw/zinc/97/25/43/569972543.db2.gz RFDWSWCCFAGHBV-UHFFFAOYSA-N 0 0 497.813 6.588 40 5 JKBBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000408612187 569972954 /nfs/dbraw/zinc/97/29/54/569972954.db2.gz UUMHZNSSHAZPCL-UHFFFAOYSA-N 0 0 460.317 5.840 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000408613135 569973338 /nfs/dbraw/zinc/97/33/38/569973338.db2.gz XQOSXNHOTVJFQK-UHFFFAOYSA-N 0 0 453.325 7.246 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408613703 569973381 /nfs/dbraw/zinc/97/33/81/569973381.db2.gz ZLQFFQDDKNSABA-UHFFFAOYSA-N 0 0 481.763 7.145 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408613603 569973386 /nfs/dbraw/zinc/97/33/86/569973386.db2.gz YRWBVLGULASFMX-UHFFFAOYSA-N 0 0 475.314 6.086 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)cc1 ZINC000408613574 569973448 /nfs/dbraw/zinc/97/34/48/569973448.db2.gz YEXTWNREFQNXTA-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 ZINC000408621483 569978314 /nfs/dbraw/zinc/97/83/14/569978314.db2.gz OFJDIGRMMVMFHQ-UHFFFAOYSA-N 0 0 471.307 5.506 40 5 JKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C\c1csc(Nc2ccc(F)cc2)n1 ZINC000225252924 569986028 /nfs/dbraw/zinc/98/60/28/569986028.db2.gz PUBLFFYIQBDTSC-VCHYOVAHSA-N 0 0 476.942 5.775 40 5 JKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 ZINC000408644235 569990690 /nfs/dbraw/zinc/99/06/90/569990690.db2.gz SCUMVBOJMJCCSS-LJQANCHMSA-N 0 0 473.529 5.811 40 5 JKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)c1 ZINC000408644234 569990707 /nfs/dbraw/zinc/99/07/07/569990707.db2.gz SCUMVBOJMJCCSS-IBGZPJMESA-N 0 0 473.529 5.811 40 5 JKBBRN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408644670 569990923 /nfs/dbraw/zinc/99/09/23/569990923.db2.gz HQMNYLPRLNHLFU-UHFFFAOYSA-N 0 0 496.306 5.912 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O ZINC000408646023 569991689 /nfs/dbraw/zinc/99/16/89/569991689.db2.gz VJAJXSKYXSUIRP-GOSISDBHSA-N 0 0 475.501 5.004 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O ZINC000408647150 569992233 /nfs/dbraw/zinc/99/22/33/569992233.db2.gz WLJXSNMGSPAEPE-SFHVURJKSA-N 0 0 475.501 5.004 40 5 JKBBRN O=[N+]([O-])c1ccc(N2N[C@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 ZINC000225351044 569992270 /nfs/dbraw/zinc/99/22/70/569992270.db2.gz FAUXLPBYAURBON-HHHXNRCGSA-N 0 0 466.566 5.557 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225352808 569992410 /nfs/dbraw/zinc/99/24/10/569992410.db2.gz AQUOMLPFICGHDD-CLJLJLNGSA-N 0 0 499.596 5.745 40 5 JKBBRN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408649049 569993136 /nfs/dbraw/zinc/99/31/36/569993136.db2.gz ZFVDYDSCEXPKBV-HXUWFJFHSA-N 0 0 467.481 5.532 40 5 JKBBRN Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408652918 569995209 /nfs/dbraw/zinc/99/52/09/569995209.db2.gz IOKXMYPOVVZCSB-JUJAOGAQSA-N 0 0 479.319 5.001 40 5 JKBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] ZINC000408652916 569995238 /nfs/dbraw/zinc/99/52/38/569995238.db2.gz IOKXMYPOVVZCSB-AGYDLCDTSA-N 0 0 479.319 5.001 40 5 JKBBRN Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408659334 569999472 /nfs/dbraw/zinc/99/94/72/569999472.db2.gz KTOPUOIXFGBOBM-IBGZPJMESA-N 0 0 458.514 5.188 40 5 JKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1 ZINC000408666163 570004510 /nfs/dbraw/zinc/00/45/10/570004510.db2.gz GHHPLAOQXUTIHY-UHFFFAOYSA-N 0 0 491.887 5.268 40 5 JKBBRN CCC1(CC)C[C@@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2O1 ZINC000225569006 570006335 /nfs/dbraw/zinc/00/63/35/570006335.db2.gz BGKNXRYNGVUWPI-GBOLQPHISA-N 0 0 456.542 6.334 40 5 JKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225588243 570007998 /nfs/dbraw/zinc/00/79/98/570007998.db2.gz RCRKJJIJMDNVNW-HTAPYJJXSA-N 0 0 492.041 5.204 40 5 JKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000408672502 570008272 /nfs/dbraw/zinc/00/82/72/570008272.db2.gz NJJARYZHWXNTSA-UHFFFAOYSA-N 0 0 453.454 5.892 40 5 JKBBRN COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc32)c1 ZINC000408672836 570008474 /nfs/dbraw/zinc/00/84/74/570008474.db2.gz XKDFVPVZYZBEAC-UHFFFAOYSA-N 0 0 485.496 5.231 40 5 JKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000408673962 570008940 /nfs/dbraw/zinc/00/89/40/570008940.db2.gz WOYSAUBGGBLZQX-UHFFFAOYSA-N 0 0 453.454 5.892 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2Cl)cc1 ZINC000408681691 570012681 /nfs/dbraw/zinc/01/26/81/570012681.db2.gz IFFIVFIJTNOMKB-JOCHJYFZSA-N 0 0 478.353 5.998 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408681743 570012686 /nfs/dbraw/zinc/01/26/86/570012686.db2.gz INYWEVVTJAHMHZ-JOCHJYFZSA-N 0 0 478.353 5.998 40 5 JKBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 ZINC000408683717 570013257 /nfs/dbraw/zinc/01/32/57/570013257.db2.gz NNVLQPYOYUJBHJ-VWNXMTODSA-N 0 0 481.508 5.360 40 5 JKBBRN CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]2C1 ZINC000408683716 570013280 /nfs/dbraw/zinc/01/32/80/570013280.db2.gz NNVLQPYOYUJBHJ-UPVQGACJSA-N 0 0 481.508 5.360 40 5 JKBBRN CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]2C1 ZINC000408683714 570013292 /nfs/dbraw/zinc/01/32/92/570013292.db2.gz NNVLQPYOYUJBHJ-ISKFKSNPSA-N 0 0 481.508 5.360 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225670859 570013675 /nfs/dbraw/zinc/01/36/75/570013675.db2.gz CIGOLKZJJOSZTQ-YWZLYKJASA-N 0 0 480.392 5.166 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225698479 570015815 /nfs/dbraw/zinc/01/58/15/570015815.db2.gz RXNIGIUVPMQHHA-YWZLYKJASA-N 0 0 480.392 5.166 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408693632 570016277 /nfs/dbraw/zinc/01/62/77/570016277.db2.gz BGCPQYBGXMBSAB-UHFFFAOYSA-N 0 0 472.263 5.541 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408693699 570016305 /nfs/dbraw/zinc/01/63/05/570016305.db2.gz CAQACGQGEFOOID-UHFFFAOYSA-N 0 0 454.273 5.402 40 5 JKBBRN CCOc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408694033 570016643 /nfs/dbraw/zinc/01/66/43/570016643.db2.gz HLMXNNPBTSXUDF-UHFFFAOYSA-N 0 0 463.881 5.147 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 ZINC000408694648 570017150 /nfs/dbraw/zinc/01/71/50/570017150.db2.gz LHQMMBPMCBJOCK-UHFFFAOYSA-N 0 0 454.273 5.402 40 5 JKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1Cl ZINC000408695607 570017925 /nfs/dbraw/zinc/01/79/25/570017925.db2.gz ROZVOKVBPMFGBZ-UHFFFAOYSA-N 0 0 468.300 5.710 40 5 JKBBRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000408695609 570017931 /nfs/dbraw/zinc/01/79/31/570017931.db2.gz RPODHJGAJQNQGM-UHFFFAOYSA-N 0 0 468.300 5.710 40 5 JKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C ZINC000225757150 570020449 /nfs/dbraw/zinc/02/04/49/570020449.db2.gz VVDINQDXCGKKGJ-UHFFFAOYSA-N 0 0 454.523 5.399 40 5 JKBBRN CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408700816 570021405 /nfs/dbraw/zinc/02/14/05/570021405.db2.gz MLIWXJSMOAPHLL-UHFFFAOYSA-N 0 0 485.587 5.093 40 5 JKBBRN COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] ZINC000408721948 570027177 /nfs/dbraw/zinc/02/71/77/570027177.db2.gz BPUDUILBFNVWAH-UHFFFAOYSA-N 0 0 476.470 5.554 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)o1 ZINC000408725229 570027944 /nfs/dbraw/zinc/02/79/44/570027944.db2.gz DOAISUOSXITPQC-GRSHGNNSSA-N 0 0 475.309 6.711 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000408727455 570028333 /nfs/dbraw/zinc/02/83/33/570028333.db2.gz YSXONFMIYLPWAH-NSIKDUERSA-N 0 0 474.119 5.905 40 5 JKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408729749 570028788 /nfs/dbraw/zinc/02/87/88/570028788.db2.gz CJTPXDLICMGYNC-JOCHJYFZSA-N 0 0 497.960 5.781 40 5 JKBBRN Cc1sc2nc(-c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)[nH]c(=O)c2c1C ZINC000408734939 570029972 /nfs/dbraw/zinc/02/99/72/570029972.db2.gz LSOZZZYDMKILNC-UHFFFAOYSA-N 0 0 457.511 6.321 40 5 JKBBRN O=C(N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000408736411 570030438 /nfs/dbraw/zinc/03/04/38/570030438.db2.gz BTICZRKZHFLEEZ-SANMLTNESA-N 0 0 479.536 5.093 40 5 JKBBRN CC(C)c1ccccc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408736762 570030597 /nfs/dbraw/zinc/03/05/97/570030597.db2.gz HESQADPMGYPLNW-XMMPIXPASA-N 0 0 461.518 5.194 40 5 JKBBRN Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000408736970 570030699 /nfs/dbraw/zinc/03/06/99/570030699.db2.gz KJBFRMSZLZFJAQ-HHHXNRCGSA-N 0 0 493.563 5.401 40 5 JKBBRN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408739375 570031502 /nfs/dbraw/zinc/03/15/02/570031502.db2.gz ZUAHZOIOFJJBEY-QFIPXVFZSA-N 0 0 491.525 5.012 40 5 JKBBRN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000408739374 570031535 /nfs/dbraw/zinc/03/15/35/570031535.db2.gz ZUAHZOIOFJJBEY-JOCHJYFZSA-N 0 0 491.525 5.012 40 5 JKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 ZINC000408749188 570033471 /nfs/dbraw/zinc/03/34/71/570033471.db2.gz FHYIIXGJEXKEFK-UHFFFAOYSA-N 0 0 465.487 5.437 40 5 JKBBRN O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408751000 570034175 /nfs/dbraw/zinc/03/41/75/570034175.db2.gz VFCVHIPYESGCQO-IAGOWNOFSA-N 0 0 453.545 5.176 40 5 JKBBRN COc1ccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)cc1 ZINC000408751089 570034282 /nfs/dbraw/zinc/03/42/82/570034282.db2.gz WHXNQWKGDBNWRF-UHFFFAOYSA-N 0 0 477.523 5.306 40 5 JKBBRN Cc1cccc(CSc2nc3ccc(N4C(=O)c5ccc([N+](=O)[O-])cc5C4=O)cc3s2)c1 ZINC000408751442 570034422 /nfs/dbraw/zinc/03/44/22/570034422.db2.gz ZLMVTEFXSASPTA-UHFFFAOYSA-N 0 0 461.524 5.606 40 5 JKBBRN COCCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O ZINC000408755298 570035387 /nfs/dbraw/zinc/03/53/87/570035387.db2.gz DDUWAHMKYVJKIX-UHFFFAOYSA-N 0 0 483.318 5.118 40 5 JKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408756693 570035676 /nfs/dbraw/zinc/03/56/76/570035676.db2.gz 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Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl ZINC000409109695 570131733 /nfs/dbraw/zinc/13/17/33/570131733.db2.gz JKWJVJDOBOQLEY-UHFFFAOYSA-N 0 0 451.737 7.055 40 5 JKBBRN Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110506 570131960 /nfs/dbraw/zinc/13/19/60/570131960.db2.gz CWEKEAXQFSMOJZ-UHFFFAOYSA-N 0 0 461.743 6.510 40 5 JKBBRN CCCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)c2ccccc21 ZINC000409111864 570132387 /nfs/dbraw/zinc/13/23/87/570132387.db2.gz CROZBGRGCYNQPS-STZFKDTASA-N 0 0 493.357 6.234 40 5 JKBBRN CCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409112276 570132664 /nfs/dbraw/zinc/13/26/64/570132664.db2.gz KZKSYOIDYPIFQJ-UHFFFAOYSA-N 0 0 451.573 5.827 40 5 JKBBRN CCOc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409112651 570132781 /nfs/dbraw/zinc/13/27/81/570132781.db2.gz FNYQGLUKHKUESI-UHFFFAOYSA-N 0 0 457.324 5.947 40 5 JKBBRN CCCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)c2ccccc21 ZINC000409112874 570132901 /nfs/dbraw/zinc/13/29/01/570132901.db2.gz CKTVHOMSGZVHLO-BKUYFWCQSA-N 0 0 478.932 6.133 40 5 JKBBRN CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(OCC)cc3)c(=O)c2c1C ZINC000409113066 570132920 /nfs/dbraw/zinc/13/29/20/570132920.db2.gz HWHOXHFFNAENJO-UHFFFAOYSA-N 0 0 495.626 6.307 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1Cc1ccccc1 ZINC000409113352 570133073 /nfs/dbraw/zinc/13/30/73/570133073.db2.gz AKGTVDNXEGJVTL-HHHXNRCGSA-N 0 0 494.507 5.864 40 5 JKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1Cl ZINC000409113723 570133139 /nfs/dbraw/zinc/13/31/39/570133139.db2.gz DYHMSOODKGIZHP-UHFFFAOYSA-N 0 0 461.743 6.510 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N1Cc1ccccc1 ZINC000409114760 570133494 /nfs/dbraw/zinc/13/34/94/570133494.db2.gz QCHGQRGVDDIMCX-HHHXNRCGSA-N 0 0 494.507 5.864 40 5 JKBBRN COc1ccc(NCc2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409117125 570134452 /nfs/dbraw/zinc/13/44/52/570134452.db2.gz NMGDDMKPRFXIFB-UHFFFAOYSA-N 0 0 473.323 5.566 40 5 JKBBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000409118020 570134690 /nfs/dbraw/zinc/13/46/90/570134690.db2.gz MPECXSVUDYAUKP-STZFKDTASA-N 0 0 479.330 5.843 40 5 JKBBRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118577 570134963 /nfs/dbraw/zinc/13/49/63/570134963.db2.gz OILFBMCCGCOEAC-UUYOSTAYSA-N 0 0 492.959 6.379 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1Cc1ccccc1 ZINC000409118644 570134984 /nfs/dbraw/zinc/13/49/84/570134984.db2.gz QDPOLUPVIJRJFN-MHZLTWQESA-N 0 0 483.955 6.610 40 5 JKBBRN CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409124621 570137376 /nfs/dbraw/zinc/13/73/76/570137376.db2.gz JZCCRQOGBHFZGT-LJAQVGFWSA-N 0 0 493.563 6.355 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1CCCc1ccccc1 ZINC000409135273 570142029 /nfs/dbraw/zinc/14/20/29/570142029.db2.gz XZBQUIJNVCUBJW-JJIBRWJFSA-N 0 0 474.538 5.843 40 5 JKBBRN COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409135898 570142261 /nfs/dbraw/zinc/14/22/61/570142261.db2.gz SVXBEBRIGGOGHE-UHFFFAOYSA-N 0 0 491.769 6.519 40 5 JKBBRN COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409141706 570145007 /nfs/dbraw/zinc/14/50/07/570145007.db2.gz WLHKDLUBQCAZAY-LICLKQGHSA-N 0 0 483.329 5.163 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409144773 570146407 /nfs/dbraw/zinc/14/64/07/570146407.db2.gz PVGYEMRAMXYDNF-YDZHTSKRSA-N 0 0 482.558 5.799 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409151524 570149298 /nfs/dbraw/zinc/14/92/98/570149298.db2.gz HMASIHKNQFOOBX-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000409161086 570152015 /nfs/dbraw/zinc/15/20/15/570152015.db2.gz WEUWXNYSPXAPMD-UHFFFAOYSA-N 0 0 483.594 5.256 40 5 JKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1cccc(Br)c1 ZINC000409163254 570152655 /nfs/dbraw/zinc/15/26/55/570152655.db2.gz OKTBDBVCASWHMU-OEAKJJBVSA-N 0 0 474.379 6.992 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc(Cl)c1 ZINC000409164266 570152827 /nfs/dbraw/zinc/15/28/27/570152827.db2.gz FVTNMQYSSHRROG-YBFXNURJSA-N 0 0 483.889 5.183 40 5 JKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000409164626 570153009 /nfs/dbraw/zinc/15/30/09/570153009.db2.gz LEODAQUUBYRMFQ-CIAFOILYSA-N 0 0 477.498 5.147 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1cccc(Cl)c1 ZINC000409169872 570154528 /nfs/dbraw/zinc/15/45/28/570154528.db2.gz SMGPFTCQVBHKPM-YBFXNURJSA-N 0 0 483.889 5.183 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1cccc(Br)c1 ZINC000409170485 570154737 /nfs/dbraw/zinc/15/47/37/570154737.db2.gz UYMZJXPOMMORKU-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000409170580 570154741 /nfs/dbraw/zinc/15/47/41/570154741.db2.gz WKRWQUQKSCMXAT-BUVRLJJBSA-N 0 0 466.562 6.285 40 5 JKBBRN Cc1ccc(OCc2nn(CC(=O)Nc3nc(-c4ccc(C)c([N+](=O)[O-])c4)cs3)c(=S)o2)cc1 ZINC000409171153 570154958 /nfs/dbraw/zinc/15/49/58/570154958.db2.gz ZDNHXIGYFNGIDA-UHFFFAOYSA-N 0 0 497.558 5.072 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409171585 570155056 /nfs/dbraw/zinc/15/50/56/570155056.db2.gz AGTAXOZZFSEWGP-VWLOTQADSA-N 0 0 480.904 5.443 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000409171586 570155121 /nfs/dbraw/zinc/15/51/21/570155121.db2.gz AHYMTXRWVCUTCF-UHFFFAOYSA-N 0 0 494.459 5.545 40 5 JKBBRN CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)Oc1ccccc1Cl ZINC000409172013 570155269 /nfs/dbraw/zinc/15/52/69/570155269.db2.gz AUYNSZMYVJZKKV-AWEZNQCLSA-N 0 0 475.958 5.039 40 5 JKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409172066 570155309 /nfs/dbraw/zinc/15/53/09/570155309.db2.gz BLBHGMOVFKGYCL-UDWIEESQSA-N 0 0 495.538 5.252 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 ZINC000409172612 570155448 /nfs/dbraw/zinc/15/54/48/570155448.db2.gz DNYMBDNTTCTCHQ-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409172962 570155656 /nfs/dbraw/zinc/15/56/56/570155656.db2.gz JUKMAIUGTUAEKR-HHHXNRCGSA-N 0 0 494.503 5.937 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409175238 570156576 /nfs/dbraw/zinc/15/65/76/570156576.db2.gz YKTUJEVSLUKRJY-UHFFFAOYSA-N 0 0 473.506 5.374 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409176382 570157074 /nfs/dbraw/zinc/15/70/74/570157074.db2.gz MBCCNBRYYKJKLF-RUZDIDTESA-N 0 0 480.904 5.443 40 5 JKBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409176665 570157117 /nfs/dbraw/zinc/15/71/17/570157117.db2.gz UOSJTKQEMDKCTN-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN Cc1ccc(Cl)cc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409176808 570157128 /nfs/dbraw/zinc/15/71/28/570157128.db2.gz YKIXTXDETUUKQB-UHFFFAOYSA-N 0 0 468.893 5.811 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000409177056 570157293 /nfs/dbraw/zinc/15/72/93/570157293.db2.gz BUJVZYHGSUUTHP-SANMLTNESA-N 0 0 460.486 5.098 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1Cl ZINC000409176940 570157297 /nfs/dbraw/zinc/15/72/97/570157297.db2.gz BTBSUUHFKANUNQ-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)c(C)c1 ZINC000409177324 570157515 /nfs/dbraw/zinc/15/75/15/570157515.db2.gz DNPDMGJGRKNTMM-MFKUBSTISA-N 0 0 466.562 6.285 40 5 JKBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)cc1 ZINC000409177491 570157523 /nfs/dbraw/zinc/15/75/23/570157523.db2.gz GAEIEPXRXWFENM-UHFFFAOYSA-N 0 0 469.833 5.006 40 5 JKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])c(C)c2)cc1 ZINC000409177300 570157525 /nfs/dbraw/zinc/15/75/25/570157525.db2.gz CVVXXODXDNGPSI-UHFFFAOYSA-N 0 0 487.533 5.931 40 5 JKBBRN COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409177676 570157651 /nfs/dbraw/zinc/15/76/51/570157651.db2.gz HUCJNDVHKCSLIW-UHFFFAOYSA-N 0 0 498.491 6.005 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1 ZINC000409178276 570157922 /nfs/dbraw/zinc/15/79/22/570157922.db2.gz GDGYWSMFQIVWRU-UHFFFAOYSA-N 0 0 457.236 5.212 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000409178449 570158005 /nfs/dbraw/zinc/15/80/05/570158005.db2.gz JRLSAEPOZSPIIR-UHFFFAOYSA-N 0 0 494.459 5.545 40 5 JKBBRN Cc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409178681 570158036 /nfs/dbraw/zinc/15/80/36/570158036.db2.gz MRCHCZPMVUCABA-UHFFFAOYSA-N 0 0 485.279 5.368 40 5 JKBBRN Cc1c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409178541 570158052 /nfs/dbraw/zinc/15/80/52/570158052.db2.gz MKMSRUFMIZBNMJ-NRFANRHFSA-N 0 0 454.822 5.246 40 5 JKBBRN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409179202 570158221 /nfs/dbraw/zinc/15/82/21/570158221.db2.gz KUHLUPDSDRRMNA-UHFFFAOYSA-N 0 0 459.479 5.314 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2)cc1 ZINC000409179125 570158234 /nfs/dbraw/zinc/15/82/34/570158234.db2.gz NHCZHYWKBUWITG-MHZLTWQESA-N 0 0 467.477 5.955 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000409179228 570158241 /nfs/dbraw/zinc/15/82/41/570158241.db2.gz QMVJWKPRHODGFL-UHFFFAOYSA-N 0 0 494.459 5.545 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000409179786 570158604 /nfs/dbraw/zinc/15/86/04/570158604.db2.gz SKDKVGYJTZRDIA-HHHXNRCGSA-N 0 0 463.445 5.587 40 5 JKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl ZINC000409180724 570158988 /nfs/dbraw/zinc/15/89/88/570158988.db2.gz ZIULCNRBVYGCKL-DEOSSOPVSA-N 0 0 466.877 5.134 40 5 JKBBRN CCOc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409180658 570159011 /nfs/dbraw/zinc/15/90/11/570159011.db2.gz YXRGNEYDJZEAPL-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000409181065 570159168 /nfs/dbraw/zinc/15/91/68/570159168.db2.gz VJHJZVWCPUBWMY-UHFFFAOYSA-N 0 0 461.477 6.229 40 5 JKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccccc2[N+](=O)[O-])cc1 ZINC000409181613 570159422 /nfs/dbraw/zinc/15/94/22/570159422.db2.gz DPPUZAGOGKIFNR-UHFFFAOYSA-N 0 0 475.284 5.276 40 5 JKBBRN Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1 ZINC000409181885 570159550 /nfs/dbraw/zinc/15/95/50/570159550.db2.gz GINLHKNTISOEQD-UHFFFAOYSA-N 0 0 469.493 6.632 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000409182138 570159709 /nfs/dbraw/zinc/15/97/09/570159709.db2.gz IGKHJFGGYUOTMJ-UHFFFAOYSA-N 0 0 476.488 6.959 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409182847 570159939 /nfs/dbraw/zinc/15/99/39/570159939.db2.gz OPEODPKYMNTUDW-RUZDIDTESA-N 0 0 480.904 5.443 40 5 JKBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409183670 570160179 /nfs/dbraw/zinc/16/01/79/570160179.db2.gz UBCQVBBYYALGLO-MHZLTWQESA-N 0 0 494.503 5.937 40 5 JKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409183756 570160271 /nfs/dbraw/zinc/16/02/71/570160271.db2.gz UOIJCJMQIJJDDB-MHZLTWQESA-N 0 0 483.955 6.922 40 5 JKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000409183933 570160290 /nfs/dbraw/zinc/16/02/90/570160290.db2.gz VKEUPQQGUGIGQV-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409183860 570160329 /nfs/dbraw/zinc/16/03/29/570160329.db2.gz VUDDPYSNIIRSMK-VWLOTQADSA-N 0 0 496.903 5.143 40 5 JKBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409184281 570160364 /nfs/dbraw/zinc/16/03/64/570160364.db2.gz WQVIGYAVLQIYNY-UHFFFAOYSA-N 0 0 485.901 5.364 40 5 JKBBRN Cc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)OCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000409184373 570160425 /nfs/dbraw/zinc/16/04/25/570160425.db2.gz XSZMXTPTATUIDO-UHFFFAOYSA-N 0 0 473.510 5.636 40 5 JKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)cc1 ZINC000409184085 570160435 /nfs/dbraw/zinc/16/04/35/570160435.db2.gz WQFIHMNJNBZWAY-UHFFFAOYSA-N 0 0 454.866 5.503 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189631 570161523 /nfs/dbraw/zinc/16/15/23/570161523.db2.gz LXHVXMVAJMVXAC-FYJGNVAPSA-N 0 0 466.902 6.068 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189950 570161555 /nfs/dbraw/zinc/16/15/55/570161555.db2.gz OEKXMGXQEKCLNG-FYJGNVAPSA-N 0 0 466.902 6.068 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190724 570161906 /nfs/dbraw/zinc/16/19/06/570161906.db2.gz QEUAMAIGXOSYLY-FYJGNVAPSA-N 0 0 466.902 6.068 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409201119 570165369 /nfs/dbraw/zinc/16/53/69/570165369.db2.gz VKULEELOGDBYGH-QFEZKATASA-N 0 0 484.533 6.861 40 5 JKBBRN O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409202577 570165953 /nfs/dbraw/zinc/16/59/53/570165953.db2.gz UQUBIPKQGWQUSJ-UHFFFAOYSA-N 0 0 468.937 5.512 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CCc1ccccc1 ZINC000409211322 570169917 /nfs/dbraw/zinc/16/99/17/570169917.db2.gz NLLGLAMVBXBWPR-DEDYPNTBSA-N 0 0 454.891 5.787 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409217100 570173020 /nfs/dbraw/zinc/17/30/20/570173020.db2.gz ROTSFCPXKJCAGG-QNGOZBTKSA-N 0 0 477.498 5.070 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)c1ccccc1 ZINC000409218503 570173561 /nfs/dbraw/zinc/17/35/61/570173561.db2.gz JDBLELIRAIJXAL-RGVLZGJSSA-N 0 0 468.874 5.427 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)c1ccccc1 ZINC000409218765 570173742 /nfs/dbraw/zinc/17/37/42/570173742.db2.gz KMKKFXRIBNVBQH-OEAKJJBVSA-N 0 0 474.494 5.093 40 5 JKBBRN O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409222800 570174945 /nfs/dbraw/zinc/17/49/45/570174945.db2.gz XMNPQQVCBCMKAS-ZVHZXABRSA-N 0 0 487.512 5.973 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)c1ccccc1 ZINC000409225028 570175669 /nfs/dbraw/zinc/17/56/69/570175669.db2.gz LQIPTPSPQNLFMJ-UCQKPKSFSA-N 0 0 474.494 5.093 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000409226395 570176095 /nfs/dbraw/zinc/17/60/95/570176095.db2.gz NOFCCRYZDYBKCP-JAIQZWGSSA-N 0 0 497.916 5.492 40 5 JKBBRN O=C1N/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1 ZINC000409227893 570176500 /nfs/dbraw/zinc/17/65/00/570176500.db2.gz SOUDQZWSNHQFKN-CAOOACKPSA-N 0 0 458.257 5.255 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)o1 ZINC000409233539 570178828 /nfs/dbraw/zinc/17/88/28/570178828.db2.gz SUCYJMXWYHHGMK-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409237994 570180590 /nfs/dbraw/zinc/18/05/90/570180590.db2.gz KRCYCQSGNISSSD-FYJGNVAPSA-N 0 0 493.903 5.323 40 5 JKBBRN O=[N+]([O-])c1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)ccc1F ZINC000329008476 570181348 /nfs/dbraw/zinc/18/13/48/570181348.db2.gz LQVFNKHRCPYFBF-UHFFFAOYSA-N 0 0 477.418 5.031 40 5 JKBBRN O=C1N/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000409240830 570181853 /nfs/dbraw/zinc/18/18/53/570181853.db2.gz IIRWTPONLNHBEV-PCLIKHOPSA-N 0 0 479.492 5.420 40 5 JKBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329020303 570181912 /nfs/dbraw/zinc/18/19/12/570181912.db2.gz OAHUAPPNAYSCMU-UHFFFAOYSA-N 0 0 477.418 5.031 40 5 JKBBRN CC[C@@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329062916 570183403 /nfs/dbraw/zinc/18/34/03/570183403.db2.gz XAPPSJZLFSKTPH-CYBMUJFWSA-N 0 0 461.444 5.057 40 5 JKBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cccc1[N+](=O)[O-] ZINC000329070160 570183827 /nfs/dbraw/zinc/18/38/27/570183827.db2.gz ZDYZVPLXDNVEOY-UHFFFAOYSA-N 0 0 487.482 5.591 40 5 JKBBRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409249321 570185284 /nfs/dbraw/zinc/18/52/84/570185284.db2.gz KDSXJCHUNYDKMC-LICLKQGHSA-N 0 0 467.330 5.927 40 5 JKBBRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409257327 570187070 /nfs/dbraw/zinc/18/70/70/570187070.db2.gz QCLDEIFATMNCHP-UHFFFAOYSA-N 0 0 471.391 6.120 40 5 JKBBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409260547 570187527 /nfs/dbraw/zinc/18/75/27/570187527.db2.gz RWFZFJCBTCFZOB-UHFFFAOYSA-N 0 0 463.515 5.439 40 5 JKBBRN Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409261878 570187651 /nfs/dbraw/zinc/18/76/51/570187651.db2.gz DWVSBAPUGMCJJZ-UHFFFAOYSA-N 0 0 487.965 5.007 40 5 JKBBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409264056 570188066 /nfs/dbraw/zinc/18/80/66/570188066.db2.gz JLPMFTGGTOMYOR-UHFFFAOYSA-N 0 0 477.498 5.079 40 5 JKBBRN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409270333 570189131 /nfs/dbraw/zinc/18/91/31/570189131.db2.gz PJYJKYOTPMXZBU-UHFFFAOYSA-N 0 0 463.515 5.439 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409271912 570189274 /nfs/dbraw/zinc/18/92/74/570189274.db2.gz FBPMLJOLLZLGCK-KEBDBYFISA-N 0 0 499.451 5.116 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(F)cc4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000409275112 570189713 /nfs/dbraw/zinc/18/97/13/570189713.db2.gz YMZMEDYYTMGLQZ-KEBDBYFISA-N 0 0 499.451 5.116 40 5 JKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc2ccccc21 ZINC000408542481 570191832 /nfs/dbraw/zinc/19/18/32/570191832.db2.gz JRIWKKHNTCNFNF-KHPPLWFESA-N 0 0 495.329 6.565 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000408542726 570191858 /nfs/dbraw/zinc/19/18/58/570191858.db2.gz KTAJMXNBCTVGHA-NTMALXAHSA-N 0 0 457.870 5.131 40 5 JKBBRN Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1[N+](=O)[O-] ZINC000408543160 570191954 /nfs/dbraw/zinc/19/19/54/570191954.db2.gz MTKLWXBSXJQAPY-XBXARRHUSA-N 0 0 460.240 5.311 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nnc2-c2ccccc2O)c(C)c1 ZINC000408545096 570192636 /nfs/dbraw/zinc/19/26/36/570192636.db2.gz OVDRBVGHPURKGX-UHFFFAOYSA-N 0 0 493.520 5.035 40 5 JKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1OC ZINC000408545789 570193069 /nfs/dbraw/zinc/19/30/69/570193069.db2.gz AELGRVOMGJUWCQ-UHFFFAOYSA-N 0 0 482.396 5.147 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408549104 570194488 /nfs/dbraw/zinc/19/44/88/570194488.db2.gz XAOOYHUWNJTLRI-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552994 570195664 /nfs/dbraw/zinc/19/56/64/570195664.db2.gz MKKJTFJHRPZWFG-UHFFFAOYSA-N 0 0 471.307 5.506 40 5 JKBBRN COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408553569 570195874 /nfs/dbraw/zinc/19/58/74/570195874.db2.gz ATHHNIQSUSCXLF-QHCPKHFHSA-N 0 0 470.934 5.614 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408553546 570195890 /nfs/dbraw/zinc/19/58/90/570195890.db2.gz ANGLWLKLGBNXDG-UHFFFAOYSA-N 0 0 457.324 5.865 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408554456 570196225 /nfs/dbraw/zinc/19/62/25/570196225.db2.gz CVJHFGUZEVFGGW-UHFFFAOYSA-N 0 0 481.763 7.145 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000408556208 570197334 /nfs/dbraw/zinc/19/73/34/570197334.db2.gz IJUKOFNIAYRZHX-UHFFFAOYSA-N 0 0 455.898 5.195 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408556792 570197711 /nfs/dbraw/zinc/19/77/11/570197711.db2.gz KNFUNUYKNGYLPG-UHFFFAOYSA-N 0 0 462.933 6.991 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408557051 570197944 /nfs/dbraw/zinc/19/79/44/570197944.db2.gz LWOFPZDYWVVCQP-UHFFFAOYSA-N 0 0 455.898 5.195 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408557077 570197980 /nfs/dbraw/zinc/19/79/80/570197980.db2.gz LYNMLAWPXBJEGT-UHFFFAOYSA-N 0 0 476.316 5.540 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)cc(Br)c2OCc2ccccc2)c1 ZINC000408558699 570199218 /nfs/dbraw/zinc/19/92/18/570199218.db2.gz VGZDLTSKUUVQKT-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000408558965 570199428 /nfs/dbraw/zinc/19/94/28/570199428.db2.gz WVSFQUOGCUKINR-QFIPXVFZSA-N 0 0 475.353 6.259 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Br)cc1 ZINC000408560019 570200163 /nfs/dbraw/zinc/20/01/63/570200163.db2.gz BOJPXWQHVMHXSE-XDOYNYLZSA-N 0 0 460.353 5.211 40 5 JKBBRN O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Br)Nc1ccc(Cl)cc1 ZINC000408560300 570200338 /nfs/dbraw/zinc/20/03/38/570200338.db2.gz YPBAILCMHUFSQW-UHFFFAOYSA-N 0 0 490.741 5.640 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408560424 570200472 /nfs/dbraw/zinc/20/04/72/570200472.db2.gz ZLDRLDHBVGTRDE-UHFFFAOYSA-N 0 0 490.343 5.848 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Br)cc1 ZINC000408561187 570200913 /nfs/dbraw/zinc/20/09/13/570200913.db2.gz HAIVSCFCYYOGGN-ATJXCDBQSA-N 0 0 494.798 5.864 40 5 JKBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408561241 570200946 /nfs/dbraw/zinc/20/09/46/570200946.db2.gz HHDUTXHTSPZJAZ-QOCHGBHMSA-N 0 0 480.771 5.610 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561723 570201305 /nfs/dbraw/zinc/20/13/05/570201305.db2.gz KMSGRBSXWXLAEN-FLFQWRMESA-N 0 0 464.374 6.145 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562393 570201757 /nfs/dbraw/zinc/20/17/57/570201757.db2.gz PJTUYWGCYQRHLH-BZZOAKBMSA-N 0 0 457.983 6.109 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408563154 570202113 /nfs/dbraw/zinc/20/21/13/570202113.db2.gz UHPHDTVDBFNCJA-LNVKXUELSA-N 0 0 490.379 5.219 40 5 JKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408563777 570202359 /nfs/dbraw/zinc/20/23/59/570202359.db2.gz PLIAVVCHRZOZFZ-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Br)cc1 ZINC000408563668 570202389 /nfs/dbraw/zinc/20/23/89/570202389.db2.gz WICLCUTUVAMLBV-LNVKXUELSA-N 0 0 474.380 5.601 40 5 JKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccccc1 ZINC000409326837 570202413 /nfs/dbraw/zinc/20/24/13/570202413.db2.gz FECGAYZBGSGYLZ-AREMUKBSSA-N 0 0 469.928 6.614 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408564810 570202762 /nfs/dbraw/zinc/20/27/62/570202762.db2.gz AJUUTNLPAZGWGF-OAQYLSRUSA-N 0 0 485.765 6.571 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000408564809 570202797 /nfs/dbraw/zinc/20/27/97/570202797.db2.gz AJUUTNLPAZGWGF-NRFANRHFSA-N 0 0 485.765 6.571 40 5 JKBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000408564857 570202922 /nfs/dbraw/zinc/20/29/22/570202922.db2.gz AOVGLHRTOMNNDI-GOSISDBHSA-N 0 0 497.802 5.500 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)cc1 ZINC000408565121 570203036 /nfs/dbraw/zinc/20/30/36/570203036.db2.gz BFUTWTPOJCOXGT-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000408565319 570203159 /nfs/dbraw/zinc/20/31/59/570203159.db2.gz BQTUASPDLXWMBE-RUZDIDTESA-N 0 0 490.585 5.582 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408565344 570203163 /nfs/dbraw/zinc/20/31/63/570203163.db2.gz BTBKPGNGLKYMOG-OAQYLSRUSA-N 0 0 485.367 6.861 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408565343 570203237 /nfs/dbraw/zinc/20/32/37/570203237.db2.gz BTBKPGNGLKYMOG-NRFANRHFSA-N 0 0 485.367 6.861 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000408565321 570203245 /nfs/dbraw/zinc/20/32/45/570203245.db2.gz BQTUASPDLXWMBE-VWLOTQADSA-N 0 0 490.585 5.582 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 ZINC000408565437 570203307 /nfs/dbraw/zinc/20/33/07/570203307.db2.gz BWIBGLKMMRGBNX-QHCPKHFHSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(F)cc1 ZINC000408565433 570203381 /nfs/dbraw/zinc/20/33/81/570203381.db2.gz BWIBGLKMMRGBNX-HSZRJFAPSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408565654 570203520 /nfs/dbraw/zinc/20/35/20/570203520.db2.gz CRCNMKGRVCYASF-HSZRJFAPSA-N 0 0 480.977 5.918 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408566174 570203616 /nfs/dbraw/zinc/20/36/16/570203616.db2.gz DWLZWZUCDBHTAW-SFHVURJKSA-N 0 0 453.351 5.391 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21 ZINC000408566347 570203772 /nfs/dbraw/zinc/20/37/72/570203772.db2.gz FKJWUTPLPADNRQ-VWLOTQADSA-N 0 0 452.510 6.317 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)c(C)c1 ZINC000408567213 570203974 /nfs/dbraw/zinc/20/39/74/570203974.db2.gz GTWDPQMEMKTLMW-VWLOTQADSA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(F)cc1 ZINC000408568109 570204116 /nfs/dbraw/zinc/20/41/16/570204116.db2.gz HROIEIHHNYMJFV-HSZRJFAPSA-N 0 0 482.512 5.543 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000408568149 570204130 /nfs/dbraw/zinc/20/41/30/570204130.db2.gz HTQCAHVICFERFW-IBGZPJMESA-N 0 0 459.304 6.601 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 ZINC000408567606 570204147 /nfs/dbraw/zinc/20/41/47/570204147.db2.gz GYBGJKBVLCMBEU-VWLOTQADSA-N 0 0 490.585 5.664 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408568090 570204157 /nfs/dbraw/zinc/20/41/57/570204157.db2.gz HPSSHQMNVZGLAT-FQEVSTJZSA-N 0 0 496.317 5.826 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408569061 570204233 /nfs/dbraw/zinc/20/42/33/570204233.db2.gz INLVGNWVZWQRRP-NRFANRHFSA-N 0 0 496.317 5.826 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)cc1 ZINC000408569087 570204271 /nfs/dbraw/zinc/20/42/71/570204271.db2.gz ITKNQDMFDBSXKP-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@H](c2ccccc2)C1 ZINC000409331188 570204318 /nfs/dbraw/zinc/20/43/18/570204318.db2.gz CVNGUWQZSWHNPD-IBGZPJMESA-N 0 0 470.536 5.901 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408569985 570204511 /nfs/dbraw/zinc/20/45/11/570204511.db2.gz KMQZWFWJYXXPRR-OAQYLSRUSA-N 0 0 469.310 6.057 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569357 570204402 /nfs/dbraw/zinc/20/44/02/570204402.db2.gz VVVAEURPYQOLKK-DVKBMCPXSA-N 0 0 498.366 5.094 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408570604 570204542 /nfs/dbraw/zinc/20/45/42/570204542.db2.gz LNDOFXBEJYIHOC-VWLOTQADSA-N 0 0 490.585 5.664 40 5 JKBBRN O=Cc1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000408580869 570206717 /nfs/dbraw/zinc/20/67/17/570206717.db2.gz FBTYGDQUAJOOFU-UHFFFAOYSA-N 0 0 484.253 5.797 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(C)cc1 ZINC000408571094 570204606 /nfs/dbraw/zinc/20/46/06/570204606.db2.gz NMCAHYOGVPJKBU-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1cccc(C)c1 ZINC000408571050 570204615 /nfs/dbraw/zinc/20/46/15/570204615.db2.gz NBUWJFDWRBYPNK-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1 ZINC000408571037 570204631 /nfs/dbraw/zinc/20/46/31/570204631.db2.gz MZGAXQUSWZUOML-JOCHJYFZSA-N 0 0 450.922 6.208 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1cccc(C)c1 ZINC000408571049 570204635 /nfs/dbraw/zinc/20/46/35/570204635.db2.gz NBUWJFDWRBYPNK-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408571118 570204695 /nfs/dbraw/zinc/20/46/95/570204695.db2.gz NRISGWKQSXFGSH-GOSISDBHSA-N 0 0 475.759 7.116 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 ZINC000408571643 570204822 /nfs/dbraw/zinc/20/48/22/570204822.db2.gz PJLXLFGXLSOACQ-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc4ccccc43)cc2)n1-c1ccccc1 ZINC000408572022 570204850 /nfs/dbraw/zinc/20/48/50/570204850.db2.gz QKIZRXCFBQTKME-MHZLTWQESA-N 0 0 496.592 6.418 40 5 JKBBRN COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OC ZINC000408572134 570204891 /nfs/dbraw/zinc/20/48/91/570204891.db2.gz QRLRIQWHWIXBMG-GOSISDBHSA-N 0 0 469.350 5.010 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572331 570204931 /nfs/dbraw/zinc/20/49/31/570204931.db2.gz QXLGNGBIENKJQE-LJQANCHMSA-N 0 0 471.340 6.471 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000408572406 570204957 /nfs/dbraw/zinc/20/49/57/570204957.db2.gz RBUWDHRBDPTXAQ-SFHVURJKSA-N 0 0 459.304 6.601 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000408572665 570204994 /nfs/dbraw/zinc/20/49/94/570204994.db2.gz RRCRVTNACLVSJQ-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1cccc(C)c1 ZINC000408573113 570205122 /nfs/dbraw/zinc/20/51/22/570205122.db2.gz SNCOUOVKKJHQRI-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408573341 570205168 /nfs/dbraw/zinc/20/51/68/570205168.db2.gz BRKRQNJHEDNATJ-UHFFFAOYSA-N 0 0 499.854 5.320 40 5 JKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408573272 570205177 /nfs/dbraw/zinc/20/51/77/570205177.db2.gz AGSSBSRCSKDYRF-UHFFFAOYSA-N 0 0 481.917 5.455 40 5 JKBBRN O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408573392 570205194 /nfs/dbraw/zinc/20/51/94/570205194.db2.gz DRDAAEJFFKLNRL-KOEQRZSOSA-N 0 0 478.508 5.099 40 5 JKBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000408573368 570205197 /nfs/dbraw/zinc/20/51/97/570205197.db2.gz CWVAHOBNNMGNQL-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN 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COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008831810 554724090 /nfs/dbraw/zinc/72/40/90/554724090.db2.gz VOEYBCMZPBJIIX-UHFFFAOYSA-N 0 0 471.494 6.392 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000008831896 554724268 /nfs/dbraw/zinc/72/42/68/554724268.db2.gz CHZIKMLIWBUBKE-UHFFFAOYSA-N 0 0 472.284 6.361 40 5 JKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000008832089 554725034 /nfs/dbraw/zinc/72/50/34/554725034.db2.gz FFIPPYFWCJOGBX-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 ZINC000008832458 554726789 /nfs/dbraw/zinc/72/67/89/554726789.db2.gz CGHUDNUOGKCDQB-AWEZNQCLSA-N 0 0 467.547 5.419 40 5 JKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000008832453 554726792 /nfs/dbraw/zinc/72/67/92/554726792.db2.gz YQYVVPNYKZRNQE-OMDQHUAHSA-N 0 0 461.971 5.212 40 5 JKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC000008832454 554726800 /nfs/dbraw/zinc/72/68/00/554726800.db2.gz YQYVVPNYKZRNQE-NEXMIYJRSA-N 0 0 461.971 5.212 40 5 JKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008832670 554727685 /nfs/dbraw/zinc/72/76/85/554727685.db2.gz PTLDJPWKIJHYJH-UHFFFAOYSA-N 0 0 456.974 5.727 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1[N+](=O)[O-] ZINC000008832797 554728402 /nfs/dbraw/zinc/72/84/02/554728402.db2.gz DWGQOBKYZDESQZ-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833005 554729413 /nfs/dbraw/zinc/72/94/13/554729413.db2.gz COCHYGUXVWADPI-UHFFFAOYSA-N 0 0 487.796 5.672 40 5 JKBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)c1C ZINC000008833070 554729601 /nfs/dbraw/zinc/72/96/01/554729601.db2.gz NPGFUOZMCOBKDO-DHZHZOJOSA-N 0 0 490.368 6.305 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000008833092 554729625 /nfs/dbraw/zinc/72/96/25/554729625.db2.gz ZWJDINVECNSPLP-WEVVVXLNSA-N 0 0 492.340 5.697 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833172 554730065 /nfs/dbraw/zinc/73/00/65/554730065.db2.gz FUJVLBQYALWNOC-UHFFFAOYSA-N 0 0 496.976 5.768 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000008835160 554733498 /nfs/dbraw/zinc/73/34/98/554733498.db2.gz IOYYUQHOGZSTEV-UHFFFAOYSA-N 0 0 478.555 5.321 40 5 JKBBRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2c(C)c1 ZINC000008835196 554733735 /nfs/dbraw/zinc/73/37/35/554733735.db2.gz KKQCFFLHUBKRCY-UHFFFAOYSA-N 0 0 476.514 5.161 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Br)o2)cc1Cl ZINC000008835228 554733774 /nfs/dbraw/zinc/73/37/74/554733774.db2.gz UCKQMXLJZYFHKZ-UHFFFAOYSA-N 0 0 494.754 5.706 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(OCc2ccccc2)c1 ZINC000008835231 554733801 /nfs/dbraw/zinc/73/38/01/554733801.db2.gz OEYUPICICFKEKZ-UHFFFAOYSA-N 0 0 486.347 5.063 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000008835227 554733811 /nfs/dbraw/zinc/73/38/11/554733811.db2.gz TWEHFRHKEWFKGC-QHHAFSJGSA-N 0 0 475.151 5.191 40 5 JKBBRN O=[N+]([O-])/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 ZINC000008856953 554753215 /nfs/dbraw/zinc/75/32/15/554753215.db2.gz CJJPRVWGHPDPBJ-HNENSFHCSA-N 0 0 467.521 6.671 40 5 JKBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008893482 554782233 /nfs/dbraw/zinc/78/22/33/554782233.db2.gz XXFJIIFOHSDMJO-UHFFFAOYSA-N 0 0 498.520 5.468 40 5 JKBBRN O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008893525 554782243 /nfs/dbraw/zinc/78/22/43/554782243.db2.gz VYXZEWLGRACNAF-UHFFFAOYSA-N 0 0 498.520 5.468 40 5 JKBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000008898377 554788956 /nfs/dbraw/zinc/78/89/56/554788956.db2.gz VFRICRHTGJVEBJ-UHFFFAOYSA-N 0 0 498.992 5.871 40 5 JKBBRN O=C(c1ccc(-c2ccc(Cl)c(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008898673 554789422 /nfs/dbraw/zinc/78/94/22/554789422.db2.gz WKARCIMOVWTKMM-UHFFFAOYSA-N 0 0 480.735 5.777 40 5 JKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000008899308 554790245 /nfs/dbraw/zinc/79/02/45/554790245.db2.gz IKDVAFJWDFLYPY-UHFFFAOYSA-N 0 0 476.920 6.217 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1[N+](=O)[O-] ZINC000008899624 554790670 /nfs/dbraw/zinc/79/06/70/554790670.db2.gz ZOGGUASQNCOFJF-UHFFFAOYSA-N 0 0 475.501 6.186 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 ZINC000008900120 554791948 /nfs/dbraw/zinc/79/19/48/554791948.db2.gz YOKLYKYKKOUSRS-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000008900221 554792178 /nfs/dbraw/zinc/79/21/78/554792178.db2.gz MZTXOEBQGYSTDE-UHFFFAOYSA-N 0 0 476.924 5.143 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)c(C)c1 ZINC000008900471 554792952 /nfs/dbraw/zinc/79/29/52/554792952.db2.gz LMCDHPKCCBYRQY-JLHYYAGUSA-N 0 0 484.560 5.444 40 5 JKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008900537 554793163 /nfs/dbraw/zinc/79/31/63/554793163.db2.gz PBQICROJXVAAMV-UHFFFAOYSA-N 0 0 489.491 6.303 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008900865 554793564 /nfs/dbraw/zinc/79/35/64/554793564.db2.gz HNPNNDGYKJCGEA-UHFFFAOYSA-N 0 0 499.354 6.006 40 5 JKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 ZINC000008902986 554796952 /nfs/dbraw/zinc/79/69/52/554796952.db2.gz KCEQVWOQJRWKNA-UHFFFAOYSA-N 0 0 486.528 5.615 40 5 JKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000008903243 554797258 /nfs/dbraw/zinc/79/72/58/554797258.db2.gz IUIZCPWDCMDVNA-UHFFFAOYSA-N 0 0 465.487 5.674 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-] ZINC000008903844 554798103 /nfs/dbraw/zinc/79/81/03/554798103.db2.gz OQKUKEBDNCKCRN-UHFFFAOYSA-N 0 0 463.446 5.071 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008926522 554823225 /nfs/dbraw/zinc/82/32/25/554823225.db2.gz SJKYWRSSZGUVSB-UHFFFAOYSA-N 0 0 487.921 5.218 40 5 JKBBRN COc1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000008974443 554845825 /nfs/dbraw/zinc/84/58/25/554845825.db2.gz QDIXKEGDBTYJGN-PZYJALBSSA-N 0 0 490.943 5.253 40 5 JKBBRN O=C(Nc1cccc(C(F)(F)F)c1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000008989809 554851355 /nfs/dbraw/zinc/85/13/55/554851355.db2.gz KXGAFQPHKPLVHI-DEDYPNTBSA-N 0 0 455.392 5.023 40 5 JKBBRN O=C(c1cccc([N+](=O)[O-])c1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000009056495 554875033 /nfs/dbraw/zinc/87/50/33/554875033.db2.gz OGDILMNNZADNOC-UHFFFAOYSA-N 0 0 456.252 5.113 40 5 JKBBRN Cc1sc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000009058481 554877376 /nfs/dbraw/zinc/87/73/76/554877376.db2.gz HLKIPLRFLCRNJW-UHFFFAOYSA-N 0 0 480.571 5.011 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000009062366 554879756 /nfs/dbraw/zinc/87/97/56/554879756.db2.gz KXIDDRAGKIDQOW-UHFFFAOYSA-N 0 0 498.282 5.456 40 5 JKBBRN O=C(Cc1cccc2ccccc21)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000009062391 554879849 /nfs/dbraw/zinc/87/98/49/554879849.db2.gz RMEMWIPLTLDJJP-UHFFFAOYSA-N 0 0 493.479 5.232 40 5 JKBBRN O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1)c1cc2ccccc2o1 ZINC000009062468 554880226 /nfs/dbraw/zinc/88/02/26/554880226.db2.gz CAKZSALATIALCS-UHFFFAOYSA-N 0 0 485.481 5.364 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000009232586 555004975 /nfs/dbraw/zinc/00/49/75/555004975.db2.gz OFOMMQZRIUDNIO-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009570495 555368295 /nfs/dbraw/zinc/36/82/95/555368295.db2.gz IZYTWKSRYJBZPL-UHFFFAOYSA-N 0 0 493.976 5.459 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)o1 ZINC000013371667 555392615 /nfs/dbraw/zinc/39/26/15/555392615.db2.gz BJOSBOMAJZWWEP-UHFFFAOYSA-N 0 0 475.888 6.321 40 5 JKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000013382188 555393576 /nfs/dbraw/zinc/39/35/76/555393576.db2.gz MQFQRQZKRPZHPM-UHFFFAOYSA-N 0 0 482.521 6.255 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2C)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013388575 555394143 /nfs/dbraw/zinc/39/41/43/555394143.db2.gz RKLAOIXNLVKKKK-UHFFFAOYSA-N 0 0 487.921 5.218 40 5 JKBBRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1ccccc1[N+](=O)[O-] ZINC000013388937 555394538 /nfs/dbraw/zinc/39/45/38/555394538.db2.gz MAZXXNJUANEFIN-UHFFFAOYSA-N 0 0 450.907 5.589 40 5 JKBBRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000013402574 555396087 /nfs/dbraw/zinc/39/60/87/555396087.db2.gz VYEOHMXBLIEAPS-IYBDPMFKSA-N 0 0 464.430 5.339 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Br)c2ccccc2)cc1/C=C/c1ccccc1 ZINC000013403295 555396292 /nfs/dbraw/zinc/39/62/92/555396292.db2.gz IZUCMCYILUILLB-IZOCETQSSA-N 0 0 451.276 6.566 40 5 JKBBRN O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000013425314 555399240 /nfs/dbraw/zinc/39/92/40/555399240.db2.gz LSCXYOMIWWIDDA-UHFFFAOYSA-N 0 0 494.882 5.553 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)c3ccc(Cl)cc3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500044 555435953 /nfs/dbraw/zinc/43/59/53/555435953.db2.gz BBXRDZOKXVCYJH-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3cccc(Cl)c3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500046 555436063 /nfs/dbraw/zinc/43/60/63/555436063.db2.gz SQBHUOXKKPWTOQ-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCOc1cc([N+](=O)[O-])c(OCC)cc1NC(=O)CSc1nc2ccccc2cc1CC ZINC000013503551 555461233 /nfs/dbraw/zinc/46/12/33/555461233.db2.gz LFQDDYGPLIHJSK-UHFFFAOYSA-N 0 0 455.536 5.234 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509718 555481515 /nfs/dbraw/zinc/48/15/15/555481515.db2.gz YOUHQHYGCYFALM-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509720 555481542 /nfs/dbraw/zinc/48/15/42/555481542.db2.gz MTEGSNFQFKFSOM-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN Cc1ccc(-c2nsc3c2ncnc3SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000013511004 555482839 /nfs/dbraw/zinc/48/28/39/555482839.db2.gz MGAQJJAKOTZAEK-UHFFFAOYSA-N 0 0 451.533 5.009 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000019856307 555514793 /nfs/dbraw/zinc/51/47/93/555514793.db2.gz YVRMBRAGKSUUCR-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)c(Cl)c2)cc1 ZINC000019856335 555515107 /nfs/dbraw/zinc/51/51/07/555515107.db2.gz RDURYTPYNXMRCO-UHFFFAOYSA-N 0 0 487.965 5.007 40 5 JKBBRN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl ZINC000019894514 555532979 /nfs/dbraw/zinc/53/29/79/555532979.db2.gz YCYIVEXFGPWQCA-UHFFFAOYSA-N 0 0 470.337 6.944 40 5 JKBBRN O=C(CSc1nnc(-c2ccccc2Cl)o1)c1cc([N+](=O)[O-])ccc1Br ZINC000019927354 555542267 /nfs/dbraw/zinc/54/22/67/555542267.db2.gz RJYSAZWFEYUPAY-UHFFFAOYSA-N 0 0 454.689 5.036 40 5 JKBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Br ZINC000019927324 555542285 /nfs/dbraw/zinc/54/22/85/555542285.db2.gz RAHBHJWKNVCPLY-UHFFFAOYSA-N 0 0 499.140 5.145 40 5 JKBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000019927282 555542326 /nfs/dbraw/zinc/54/23/26/555542326.db2.gz HQSGJECGNCIZKM-UHFFFAOYSA-N 0 0 481.759 5.264 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc21 ZINC000010010640 555593088 /nfs/dbraw/zinc/59/30/88/555593088.db2.gz VBRWBSNRJISCHU-UHFFFAOYSA-N 0 0 464.286 6.032 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CCc3ccccc3)cc2s1 ZINC000020076723 555628831 /nfs/dbraw/zinc/62/88/31/555628831.db2.gz KHCBPOLOQFPYMG-UHFFFAOYSA-N 0 0 479.583 6.077 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2c(Br)c1 ZINC000010119754 555631257 /nfs/dbraw/zinc/63/12/57/555631257.db2.gz FYQOYTOGNQOFSI-UHFFFAOYSA-N 0 0 480.318 6.289 40 5 JKBBRN COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000010120216 555632548 /nfs/dbraw/zinc/63/25/48/555632548.db2.gz XJJKOMUYFGAFSI-UHFFFAOYSA-N 0 0 483.864 5.335 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020139631 555662659 /nfs/dbraw/zinc/66/26/59/555662659.db2.gz KDNDSXPRSUDTBE-UHFFFAOYSA-N 0 0 463.298 6.121 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020140610 555663188 /nfs/dbraw/zinc/66/31/88/555663188.db2.gz XHANBYNRJNZWHX-UHFFFAOYSA-N 0 0 452.850 5.821 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142608 555663531 /nfs/dbraw/zinc/66/35/31/555663531.db2.gz AXWRFYIECSFEAN-UHFFFAOYSA-N 0 0 455.898 5.243 40 5 JKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)CC1 ZINC000020142862 555663768 /nfs/dbraw/zinc/66/37/68/555663768.db2.gz PIAYYEHIFJKPFJ-UHFFFAOYSA-N 0 0 469.925 5.489 40 5 JKBBRN CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3ccc(OC)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000020176907 555682547 /nfs/dbraw/zinc/68/25/47/555682547.db2.gz UPKPPTBQYSUCHP-UHFFFAOYSA-N 0 0 467.503 5.172 40 5 JKBBRN CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3cccc(C)c3)cc([N+](=O)[O-])c2)cc1 ZINC000020176909 555682603 /nfs/dbraw/zinc/68/26/03/555682603.db2.gz ZUCZUQWNPKPLEM-UHFFFAOYSA-N 0 0 451.504 5.472 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)o1 ZINC000014132046 555699972 /nfs/dbraw/zinc/69/99/72/555699972.db2.gz NASJDQAZSMIRKI-ZVHZXABRSA-N 0 0 486.505 6.253 40 5 JKBBRN COc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000010372875 555700501 /nfs/dbraw/zinc/70/05/01/555700501.db2.gz FCGKJTXWFHPAHH-UHFFFAOYSA-N 0 0 499.523 6.052 40 5 JKBBRN Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000014269265 555758195 /nfs/dbraw/zinc/75/81/95/555758195.db2.gz LLMRASLMRBMAPP-UHFFFAOYSA-N 0 0 473.510 5.112 40 5 JKBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014269435 555759220 /nfs/dbraw/zinc/75/92/20/555759220.db2.gz VDZCFSZXDMPYIO-UHFFFAOYSA-N 0 0 470.721 5.942 40 5 JKBBRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269572 555759426 /nfs/dbraw/zinc/75/94/26/555759426.db2.gz QTPMOFWFQGESDN-UHFFFAOYSA-N 0 0 453.351 5.019 40 5 JKBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000014269973 555760907 /nfs/dbraw/zinc/76/09/07/555760907.db2.gz RRNANEIAYYHMIG-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000014270854 555764114 /nfs/dbraw/zinc/76/41/14/555764114.db2.gz DQIOULSUDVSZEH-DHZHZOJOSA-N 0 0 452.561 5.368 40 5 JKBBRN CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000014271346 555766004 /nfs/dbraw/zinc/76/60/04/555766004.db2.gz VHTLXTDZECPURI-UHFFFAOYSA-N 0 0 464.547 5.218 40 5 JKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014272065 555768761 /nfs/dbraw/zinc/76/87/61/555768761.db2.gz ACVSIHNNYSBYTD-UHFFFAOYSA-N 0 0 458.543 6.032 40 5 JKBBRN Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000014272176 555769033 /nfs/dbraw/zinc/76/90/33/555769033.db2.gz OCXAKCJCBUWXLP-RUDMXATFSA-N 0 0 468.296 6.670 40 5 JKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000014272283 555769430 /nfs/dbraw/zinc/76/94/30/555769430.db2.gz HMKXDWNLFZIPTH-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014272354 555769668 /nfs/dbraw/zinc/76/96/68/555769668.db2.gz VBIXCRJZHNHLCZ-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000014272505 555770236 /nfs/dbraw/zinc/77/02/36/555770236.db2.gz YSBKTRYIVDBEPB-UHFFFAOYSA-N 0 0 460.298 6.537 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014272712 555770841 /nfs/dbraw/zinc/77/08/41/555770841.db2.gz NJBHOOZPSOERCV-UHFFFAOYSA-N 0 0 470.533 5.052 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)c(C)c1 ZINC000014272816 555770994 /nfs/dbraw/zinc/77/09/94/555770994.db2.gz WINPHRFCWNZJPM-UHFFFAOYSA-N 0 0 472.549 5.352 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014272940 555771537 /nfs/dbraw/zinc/77/15/37/555771537.db2.gz PKTXVGBQOMSYLS-HWKANZROSA-N 0 0 451.693 6.775 40 5 JKBBRN O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014274347 555776475 /nfs/dbraw/zinc/77/64/75/555776475.db2.gz HVUPPQMPPVXBRP-UHFFFAOYSA-N 0 0 474.542 5.611 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014274575 555777264 /nfs/dbraw/zinc/77/72/64/555777264.db2.gz SHZXETMAIWNVKI-XBXARRHUSA-N 0 0 496.759 6.341 40 5 JKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274721 555777580 /nfs/dbraw/zinc/77/75/80/555777580.db2.gz SWGJTDRBYSNMNR-UHFFFAOYSA-N 0 0 487.541 5.130 40 5 JKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)nc2c1 ZINC000014275191 555780135 /nfs/dbraw/zinc/78/01/35/555780135.db2.gz SNSPZIVTVJYBBR-UHFFFAOYSA-N 0 0 476.514 5.106 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353312 555781185 /nfs/dbraw/zinc/78/11/85/555781185.db2.gz SJTDXABTSRJYIX-OAHLLOKOSA-N 0 0 488.569 6.352 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000014275823 555782026 /nfs/dbraw/zinc/78/20/26/555782026.db2.gz XNLBWVSMCOQGGO-UHFFFAOYSA-N 0 0 488.573 5.196 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277510 555786023 /nfs/dbraw/zinc/78/60/23/555786023.db2.gz PHPLAROXMWLJPO-UHFFFAOYSA-N 0 0 478.961 6.377 40 5 JKBBRN COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000014277566 555786220 /nfs/dbraw/zinc/78/62/20/555786220.db2.gz KWCWWBKLYALMNW-UHFFFAOYSA-N 0 0 474.325 6.439 40 5 JKBBRN CCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000014277569 555786258 /nfs/dbraw/zinc/78/62/58/555786258.db2.gz LGAXKIQUDVSGKY-UHFFFAOYSA-N 0 0 488.352 6.829 40 5 JKBBRN Cc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000014277806 555786802 /nfs/dbraw/zinc/78/68/02/555786802.db2.gz GZNOXTFNROUKGR-UHFFFAOYSA-N 0 0 476.920 6.217 40 5 JKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)oc2c1 ZINC000014277881 555787207 /nfs/dbraw/zinc/78/72/07/555787207.db2.gz UNJSGRALKUEJFB-UHFFFAOYSA-N 0 0 473.872 6.877 40 5 JKBBRN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014278082 555787709 /nfs/dbraw/zinc/78/77/09/555787709.db2.gz JEVZEXYQEMHQBV-UHFFFAOYSA-N 0 0 486.528 5.363 40 5 JKBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl ZINC000020410805 555787840 /nfs/dbraw/zinc/78/78/40/555787840.db2.gz GDJQLMLTRYQVLR-UHFFFAOYSA-N 0 0 452.319 5.205 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000014278259 555787947 /nfs/dbraw/zinc/78/79/47/555787947.db2.gz WNXUNORMYKAPSV-UHFFFAOYSA-N 0 0 478.291 7.115 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014278278 555787967 /nfs/dbraw/zinc/78/79/67/555787967.db2.gz AXLNWGHDYMZAKO-UHFFFAOYSA-N 0 0 478.508 6.409 40 5 JKBBRN O=C(Nc1nc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2s1)c1ccco1 ZINC000020411038 555788118 /nfs/dbraw/zinc/78/81/18/555788118.db2.gz YERCERMHKPQJGT-UHFFFAOYSA-N 0 0 498.929 6.170 40 5 JKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1 ZINC000020411253 555788405 /nfs/dbraw/zinc/78/84/05/555788405.db2.gz FDPBDYIWQCBQLE-UHFFFAOYSA-N 0 0 491.956 7.647 40 5 JKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1 ZINC000020411474 555789024 /nfs/dbraw/zinc/78/90/24/555789024.db2.gz HDNFCXJWCCBOOQ-UHFFFAOYSA-N 0 0 489.962 6.282 40 5 JKBBRN COc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1Cl ZINC000014278790 555789425 /nfs/dbraw/zinc/78/94/25/555789425.db2.gz PPQPFBLRBHDNIJ-UHFFFAOYSA-N 0 0 491.887 6.021 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1OC ZINC000020411978 555789578 /nfs/dbraw/zinc/78/95/78/555789578.db2.gz YEBLHQOXFSBDCM-UHFFFAOYSA-N 0 0 453.838 5.326 40 5 JKBBRN O=C(Oc1c(Br)cc(Br)c2cccnc21)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000011613926 555790508 /nfs/dbraw/zinc/79/05/08/555790508.db2.gz QYNMFJIVOGUKOD-UHFFFAOYSA-N 0 0 486.503 5.541 40 5 JKBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] ZINC000020528438 555792347 /nfs/dbraw/zinc/79/23/47/555792347.db2.gz DTEIEANMTKMCIM-VQHVLOKHSA-N 0 0 488.250 5.186 40 5 JKBBRN O=[N+]([O-])c1ccc(CSc2nnc(CNc3cccc4ccccc43)n2-c2ccccc2)cc1 ZINC000020530599 555797772 /nfs/dbraw/zinc/79/77/72/555797772.db2.gz RLCHYAZLFDOIAO-UHFFFAOYSA-N 0 0 467.554 6.233 40 5 JKBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000014405047 555807675 /nfs/dbraw/zinc/80/76/75/555807675.db2.gz WIQLKLCSLCEZQL-CCEZHUSRSA-N 0 0 481.512 5.302 40 5 JKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000021580693 555852555 /nfs/dbraw/zinc/85/25/55/555852555.db2.gz SVVBBHNXSUAOPN-UHFFFAOYSA-N 0 0 468.469 5.967 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000021596073 555854302 /nfs/dbraw/zinc/85/43/02/555854302.db2.gz ZIPPKNPPHPKYHS-FYWRMAATSA-N 0 0 493.523 6.111 40 5 JKBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000022108100 555874934 /nfs/dbraw/zinc/87/49/34/555874934.db2.gz UHPPXIHCOSIWHP-RXJAJXMTSA-N 0 0 482.923 5.672 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1 ZINC000015231418 555889766 /nfs/dbraw/zinc/88/97/66/555889766.db2.gz FXIKIBMEZMYKQU-UHFFFAOYSA-N 0 0 467.331 5.188 40 5 JKBBRN COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccc(C)cc2)cc1OC ZINC000015277045 555892548 /nfs/dbraw/zinc/89/25/48/555892548.db2.gz OCIOOBXTVDWZBO-RQZHXJHFSA-N 0 0 475.570 5.926 40 5 JKBBRN C[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000015303455 555893952 /nfs/dbraw/zinc/89/39/52/555893952.db2.gz PHSQMKVKFHIXHK-INIZCTEOSA-N 0 0 492.498 5.081 40 5 JKBBRN CCOc1cc(/C=C2/N=C(c3ccccc3)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000015305868 555895096 /nfs/dbraw/zinc/89/50/96/555895096.db2.gz VSTSDHZODUNYBK-FYJGNVAPSA-N 0 0 477.904 5.143 40 5 JKBBRN O=C(c1ccc(Br)cc1)[C@H]1[C@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 ZINC000012062440 555899676 /nfs/dbraw/zinc/89/96/76/555899676.db2.gz NVSRYIFVBUTHEE-UARRHKHWSA-N 0 0 475.342 5.345 40 5 JKBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC(C)C)ccc1[N+](=O)[O-] ZINC000022257615 555905278 /nfs/dbraw/zinc/90/52/78/555905278.db2.gz LGCFKHAFAVEISL-UHFFFAOYSA-N 0 0 493.347 5.324 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 ZINC000022532695 555932354 /nfs/dbraw/zinc/93/23/54/555932354.db2.gz ZIONNIVZVCMNDD-UHFFFAOYSA-N 0 0 451.910 6.050 40 5 JKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022532670 555932431 /nfs/dbraw/zinc/93/24/31/555932431.db2.gz UEGCDZWZJXEGNE-UHFFFAOYSA-N 0 0 451.866 5.934 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000022535823 555933354 /nfs/dbraw/zinc/93/33/54/555933354.db2.gz HUGVJODTELGCOQ-UHFFFAOYSA-N 0 0 453.907 6.176 40 5 JKBBRN CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2cccc([N+](=O)[O-])c2)Nc2ccccc2S3)cc1 ZINC000022564161 555935336 /nfs/dbraw/zinc/93/53/36/555935336.db2.gz LHVSXOGRYHWSOR-QFIPXVFZSA-N 0 0 457.511 5.244 40 5 JKBBRN O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2 ZINC000022572901 555938120 /nfs/dbraw/zinc/93/81/20/555938120.db2.gz WVYMMABOWVFYNN-FQEVSTJZSA-N 0 0 463.902 5.335 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022576326 555938658 /nfs/dbraw/zinc/93/86/58/555938658.db2.gz PUGWCNAZTGZZMW-WUXMJOGZSA-N 0 0 465.893 5.067 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022706517 555943618 /nfs/dbraw/zinc/94/36/18/555943618.db2.gz GZNFVAKXBUJREL-NTEUORMPSA-N 0 0 470.533 5.135 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022707878 555944259 /nfs/dbraw/zinc/94/42/59/555944259.db2.gz IQQDYSJTCYYOOU-JXMROGBWSA-N 0 0 471.922 5.352 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000022707875 555944263 /nfs/dbraw/zinc/94/42/63/555944263.db2.gz QANSRFRCIRYDCY-JXMROGBWSA-N 0 0 471.922 5.352 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl ZINC000022712278 555946324 /nfs/dbraw/zinc/94/63/24/555946324.db2.gz PJPYANQLVIAWRF-RMKNXTFCSA-N 0 0 476.341 5.996 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 ZINC000022718354 555947988 /nfs/dbraw/zinc/94/79/88/555947988.db2.gz FUYSGHUSWVAUAR-QGZVFWFLSA-N 0 0 481.508 7.429 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000022746522 555951383 /nfs/dbraw/zinc/95/13/83/555951383.db2.gz VUIRMWBIDPDKLJ-UHFFFAOYSA-N 0 0 488.573 5.107 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cccc1[N+](=O)[O-] ZINC000022748826 555952081 /nfs/dbraw/zinc/95/20/81/555952081.db2.gz ZDHLDEADGOVEOT-UHFFFAOYSA-N 0 0 490.585 5.580 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000022820060 555955043 /nfs/dbraw/zinc/95/50/43/555955043.db2.gz LGDYFWMSIAGVGZ-NTEUORMPSA-N 0 0 499.350 6.325 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c21 ZINC000012469693 555982056 /nfs/dbraw/zinc/98/20/56/555982056.db2.gz KLRVPVUCMMHWHU-UHFFFAOYSA-N 0 0 454.508 5.445 40 5 JKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 ZINC000012485530 555987325 /nfs/dbraw/zinc/98/73/25/555987325.db2.gz FQDGVFLBTVJYMH-UHFFFAOYSA-N 0 0 455.699 5.445 40 5 JKBBRN C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C2 ZINC000012542481 556017747 /nfs/dbraw/zinc/01/77/47/556017747.db2.gz YSITVHDEIGBBOV-NIYFSFCBSA-N 0 0 499.995 5.444 40 5 JKBBRN COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000016194594 556128542 /nfs/dbraw/zinc/12/85/42/556128542.db2.gz PRQQRADHFOKQFO-AATRIKPKSA-N 0 0 450.303 5.686 40 5 JKBBRN Cc1cc2nc(-c3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3O)oc2cc1C ZINC000016284191 556132827 /nfs/dbraw/zinc/13/28/27/556132827.db2.gz ZCLSLEXQACXMFM-UHFFFAOYSA-N 0 0 476.514 5.161 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc(Cl)c1Cl ZINC000024522177 556133232 /nfs/dbraw/zinc/13/32/32/556133232.db2.gz LIDZCSHPPIWSAL-UHFFFAOYSA-N 0 0 474.299 7.564 40 5 JKBBRN O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000024522847 556133557 /nfs/dbraw/zinc/13/35/57/556133557.db2.gz GOQPFORNQBFXPK-UHFFFAOYSA-N 0 0 483.911 6.466 40 5 JKBBRN CCOC(=O)c1cccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)c1 ZINC000024522862 556133638 /nfs/dbraw/zinc/13/36/38/556133638.db2.gz YHAWDBRGXXVEHG-BUHFOSPRSA-N 0 0 455.470 5.464 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016384545 556136916 /nfs/dbraw/zinc/13/69/16/556136916.db2.gz IMGLDZLILFLXIK-UHFFFAOYSA-N 0 0 462.472 5.456 40 5 JKBBRN O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016399061 556137199 /nfs/dbraw/zinc/13/71/99/556137199.db2.gz JMPSOVYTWZAPQI-UHFFFAOYSA-N 0 0 479.842 5.489 40 5 JKBBRN O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000016525546 556142018 /nfs/dbraw/zinc/14/20/18/556142018.db2.gz HSVNJFVORWJIMV-UHFFFAOYSA-N 0 0 460.515 5.221 40 5 JKBBRN O=[N+]([O-])c1ccc2nc(Sc3nc4ccccc4o3)c(Sc3nc4ccccc4o3)nc2c1 ZINC000016545289 556143118 /nfs/dbraw/zinc/14/31/18/556143118.db2.gz GANKLRRIIVWSFB-UHFFFAOYSA-N 0 0 473.495 6.123 40 5 JKBBRN C[C@@H](NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016576089 556144862 /nfs/dbraw/zinc/14/48/62/556144862.db2.gz JVBIOQGKSFOPJA-SIGOSDGXSA-N 0 0 465.506 5.630 40 5 JKBBRN CC1(C)C[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000016577734 556145571 /nfs/dbraw/zinc/14/55/71/556145571.db2.gz QASRUQBWIJSWCO-UUOWRZLLSA-N 0 0 498.540 5.031 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000016610819 556146745 /nfs/dbraw/zinc/14/67/45/556146745.db2.gz IETZOBDZSHAQBN-INIZCTEOSA-N 0 0 459.502 6.568 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000016611228 556147738 /nfs/dbraw/zinc/14/77/38/556147738.db2.gz IUQQIRYGQCWLMY-OAHLLOKOSA-N 0 0 488.569 6.352 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000016688923 556152748 /nfs/dbraw/zinc/15/27/48/556152748.db2.gz UAZUAMVMZIMHHI-FLIBITNWSA-N 0 0 451.479 5.095 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016692001 556153468 /nfs/dbraw/zinc/15/34/68/556153468.db2.gz YOKYRLKXMVJKBZ-UHFFFAOYSA-N 0 0 496.932 5.582 40 5 JKBBRN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Sc2ccc([N+](=O)[O-])cc2)CS1 ZINC000016779180 556159088 /nfs/dbraw/zinc/15/90/88/556159088.db2.gz UOQVQXFGBAILGX-UYAOXDASSA-N 0 0 481.624 5.839 40 5 JKBBRN CCOc1ccc(-n2c(SCC(=O)c3ccc([N+](=O)[O-])cc3)nnc2-c2cccs2)cc1 ZINC000016789593 556161088 /nfs/dbraw/zinc/16/10/88/556161088.db2.gz AQYYNYMUGUAAFK-UHFFFAOYSA-N 0 0 466.544 5.278 40 5 JKBBRN COc1ccc(/C=C/c2cc(/C=C\c3ccc(OC)c(O)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1O ZINC000016926265 556180723 /nfs/dbraw/zinc/18/07/23/556180723.db2.gz DDOVAKHEWGAJHA-KYPMKJFLSA-N 0 0 464.430 5.272 40 5 JKBBRN CCOc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/C(=O)c1cccc([N+](=O)[O-])c1 ZINC000017040956 556207573 /nfs/dbraw/zinc/20/75/73/556207573.db2.gz HSJXQVJBZXRPMR-OCOZRVBESA-N 0 0 490.497 5.162 40 5 JKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000025968506 556239562 /nfs/dbraw/zinc/23/95/62/556239562.db2.gz QRSMXVPBZPAMMV-UHFFFAOYSA-N 0 0 463.946 6.908 40 5 JKBBRN CC(C)(C)[C@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253648 556248326 /nfs/dbraw/zinc/24/83/26/556248326.db2.gz DZQLBFSYEPOYJZ-AFZMZZQISA-N 0 0 471.557 5.909 40 5 JKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000026124557 556249810 /nfs/dbraw/zinc/24/98/10/556249810.db2.gz HLYYDFDQXBAOTF-ACCUITESSA-N 0 0 499.914 6.202 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000026780015 556262112 /nfs/dbraw/zinc/26/21/12/556262112.db2.gz MLSKOXSFNSPXLB-UHFFFAOYSA-N 0 0 481.317 5.346 40 5 JKBBRN O=C(C[C@H](c1ccccc1)C([C@@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-])c1ccccc1 ZINC000018096391 556286850 /nfs/dbraw/zinc/28/68/50/556286850.db2.gz SBZQETAJBOAVFV-SWRQNJEFSA-N 0 0 477.560 6.745 40 5 JKBBRN COCc1c(C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)sc2cccc(F)c21 ZINC000013096605 556291212 /nfs/dbraw/zinc/29/12/12/556291212.db2.gz ZEBDQZGKWIWDIP-UHFFFAOYSA-N 0 0 469.541 6.702 40 5 JKBBRN Cc1c(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cccc1[N+](=O)[O-] ZINC000032114449 556421025 /nfs/dbraw/zinc/42/10/25/556421025.db2.gz QRORYOPHCFJWFQ-UHFFFAOYSA-N 0 0 487.899 6.536 40 5 JKBBRN Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-] ZINC000032114544 556421372 /nfs/dbraw/zinc/42/13/72/556421372.db2.gz VIMBAFZHHTVMHJ-UHFFFAOYSA-N 0 0 487.899 6.536 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] ZINC000032114764 556421612 /nfs/dbraw/zinc/42/16/12/556421612.db2.gz SOIXIZRTVJUNCD-UHFFFAOYSA-N 0 0 473.819 5.986 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032115123 556422151 /nfs/dbraw/zinc/42/21/51/556422151.db2.gz RXNMSBYPPCPAQI-UHFFFAOYSA-N 0 0 495.825 6.847 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1C ZINC000032116360 556423252 /nfs/dbraw/zinc/42/32/52/556423252.db2.gz BDMYQWZDYMMPDG-UHFFFAOYSA-N 0 0 480.933 5.800 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000032116572 556424311 /nfs/dbraw/zinc/42/43/11/556424311.db2.gz UVZSZIADKVBJHU-UHFFFAOYSA-N 0 0 480.933 5.800 40 5 JKBBRN O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 ZINC000032116854 556425450 /nfs/dbraw/zinc/42/54/50/556425450.db2.gz BCHGSBUSFRHENH-NDENLUEZSA-N 0 0 465.943 5.170 40 5 JKBBRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000032124718 556427701 /nfs/dbraw/zinc/42/77/01/556427701.db2.gz YXDBSQGEDSTOPE-DKNZLLBESA-N 0 0 486.571 5.432 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124941 556428357 /nfs/dbraw/zinc/42/83/57/556428357.db2.gz GEGUJQQCDGLNLS-XKZIYDEJSA-N 0 0 480.542 6.430 40 5 JKBBRN COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-] ZINC000032127857 556432623 /nfs/dbraw/zinc/43/26/23/556432623.db2.gz FSZURBSPUZHCKN-UHFFFAOYSA-N 0 0 498.520 5.692 40 5 JKBBRN COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000032594552 556448867 /nfs/dbraw/zinc/44/88/67/556448867.db2.gz JQOXYJDJLCURGZ-AUAXKSBWSA-O 0 0 485.545 5.361 40 5 JKBBRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000032597713 556449460 /nfs/dbraw/zinc/44/94/60/556449460.db2.gz ZRYQTJAWONUMGQ-VLOXRPPESA-N 0 0 457.338 6.721 40 5 JKBBRN CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC ZINC000057312963 569596443 /nfs/dbraw/zinc/59/64/43/569596443.db2.gz YTKWCCHVZBCNTH-NTCAYCPXSA-N 0 0 463.490 5.644 40 5 JKBBRN CC1CCN(c2ccc(C(=O)NCc3ccc(-c4nc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057313285 569596601 /nfs/dbraw/zinc/59/66/01/569596601.db2.gz YETNBTDKNPCKST-UHFFFAOYSA-N 0 0 470.529 5.569 40 5 JKBBRN O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313370 569596618 /nfs/dbraw/zinc/59/66/18/569596618.db2.gz XOFXGRHYPAJMSU-UHFFFAOYSA-N 0 0 484.320 7.177 40 5 JKBBRN CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2s1 ZINC000057313315 569596629 /nfs/dbraw/zinc/59/66/29/569596629.db2.gz MZBCCQMQIVLWKQ-UHFFFAOYSA-N 0 0 481.578 5.432 40 5 JKBBRN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)c1 ZINC000057313563 569596717 /nfs/dbraw/zinc/59/67/17/569596717.db2.gz OCVFBMLLLBYDIU-UHFFFAOYSA-N 0 0 465.918 6.276 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057314085 569596834 /nfs/dbraw/zinc/59/68/34/569596834.db2.gz HYMPVBXWMJWEJT-UHFFFAOYSA-N 0 0 465.937 6.529 40 5 JKBBRN O=C(Nc1ccc(I)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313794 569596845 /nfs/dbraw/zinc/59/68/45/569596845.db2.gz RAFKFLOOOGAURE-UHFFFAOYSA-N 0 0 458.664 5.320 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000057314022 569596866 /nfs/dbraw/zinc/59/68/66/569596866.db2.gz XAXJUCQCTWDSIA-UHFFFAOYSA-N 0 0 486.528 5.900 40 5 JKBBRN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315571 569597108 /nfs/dbraw/zinc/59/71/08/569597108.db2.gz IWYCMYNBACBYAR-UHFFFAOYSA-N 0 0 486.336 6.621 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000057315984 569597314 /nfs/dbraw/zinc/59/73/14/569597314.db2.gz MMSCYPHNQILEIG-UHFFFAOYSA-N 0 0 456.974 5.727 40 5 JKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000057316031 569597339 /nfs/dbraw/zinc/59/73/39/569597339.db2.gz HGGQGWOBEYVGCS-UHFFFAOYSA-N 0 0 498.583 7.015 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)oc2c(C)c1 ZINC000057316018 569597361 /nfs/dbraw/zinc/59/73/61/569597361.db2.gz IHZAGRSZHUYBDV-UHFFFAOYSA-N 0 0 477.929 7.140 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000057315911 569597363 /nfs/dbraw/zinc/59/73/63/569597363.db2.gz SLXMXUZUKCSKGA-BMRADRMJSA-N 0 0 467.481 5.688 40 5 JKBBRN Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc(C)c1I ZINC000057316126 569597516 /nfs/dbraw/zinc/59/75/16/569597516.db2.gz AHZGRBABHDORSV-UHFFFAOYSA-N 0 0 486.718 5.937 40 5 JKBBRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000057316100 569597518 /nfs/dbraw/zinc/59/75/18/569597518.db2.gz OTZXWHMQTXQBOF-UHFFFAOYSA-N 0 0 462.325 5.277 40 5 JKBBRN CCc1nnc2sc(-c3cccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12 ZINC000057316989 569598268 /nfs/dbraw/zinc/59/82/68/569598268.db2.gz QWSITVKOQFRUGW-UHFFFAOYSA-N 0 0 484.950 5.444 40 5 JKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057317091 569598335 /nfs/dbraw/zinc/59/83/35/569598335.db2.gz MSPSGILLNUXBIZ-UHFFFAOYSA-N 0 0 491.750 6.415 40 5 JKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000059294104 569602433 /nfs/dbraw/zinc/60/24/33/569602433.db2.gz HBDJOLLBAIWZCW-UHFFFAOYSA-N 0 0 470.529 6.200 40 5 JKBBRN O=C(Nc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1)c1cccs1 ZINC000059294160 569602455 /nfs/dbraw/zinc/60/24/55/569602455.db2.gz MQQIDYKRNXEXCV-UHFFFAOYSA-N 0 0 457.920 6.029 40 5 JKBBRN Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000059294429 569602507 /nfs/dbraw/zinc/60/25/07/569602507.db2.gz PHVJZUXUKACDNS-UHFFFAOYSA-N 0 0 490.497 5.135 40 5 JKBBRN Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)oc2c1 ZINC000059294334 569602527 /nfs/dbraw/zinc/60/25/27/569602527.db2.gz ZMOWELOOAYJTNK-UKTHLTGXSA-N 0 0 499.910 7.277 40 5 JKBBRN Cc1cc2c(cc1C)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000059428142 569603612 /nfs/dbraw/zinc/60/36/12/569603612.db2.gz XVVIGZCWSOELBO-UHFFFAOYSA-N 0 0 456.614 6.556 40 5 JKBBRN COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463622 569604298 /nfs/dbraw/zinc/60/42/98/569604298.db2.gz PDCVJZPTOVUQCV-UHFFFAOYSA-N 0 0 465.918 6.300 40 5 JKBBRN Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2s1 ZINC000059472572 569604410 /nfs/dbraw/zinc/60/44/10/569604410.db2.gz FBVDEZXYDHRUDX-UHFFFAOYSA-N 0 0 492.582 5.804 40 5 JKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(Cc4cccc5ccccc54)n3-c3ccccc3)c[nH]c2c1 ZINC000059474754 569604518 /nfs/dbraw/zinc/60/45/18/569604518.db2.gz UXHMDQWTQCAOMR-UHFFFAOYSA-N 0 0 491.576 6.693 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4[N+](=O)[O-])sc3c2)cc1 ZINC000059474798 569604521 /nfs/dbraw/zinc/60/45/21/569604521.db2.gz GFPGLULJNDBEBY-UHFFFAOYSA-N 0 0 478.555 5.496 40 5 JKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474819 569604547 /nfs/dbraw/zinc/60/45/47/569604547.db2.gz SGEMKOPKEQPINM-UHFFFAOYSA-N 0 0 464.528 5.188 40 5 JKBBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H](Nc1ccccn1)n1nnc2ccccc21 ZINC000059488685 569605530 /nfs/dbraw/zinc/60/55/30/569605530.db2.gz ZVPJMVXWLFLHHV-AREMUKBSSA-N 0 0 473.581 5.512 40 5 JKBBRN Cc1ccccc1OCc1nnc(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)n1-c1ccccc1 ZINC000059489576 569605781 /nfs/dbraw/zinc/60/57/81/569605781.db2.gz RSTCMUUMMSLLGU-UHFFFAOYSA-N 0 0 471.542 5.837 40 5 JKBBRN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000059489673 569605784 /nfs/dbraw/zinc/60/57/84/569605784.db2.gz HKIXMAFYSDXFGC-UHFFFAOYSA-N 0 0 497.557 6.451 40 5 JKBBRN Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)ccc1[N+](=O)[O-] ZINC000059557258 569606710 /nfs/dbraw/zinc/60/67/10/569606710.db2.gz SRVSZXLVELRBNY-UHFFFAOYSA-N 0 0 464.953 5.131 40 5 JKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000059567836 569607015 /nfs/dbraw/zinc/60/70/15/569607015.db2.gz AHDGQRUSSKAGMG-UHFFFAOYSA-N 0 0 469.457 5.158 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000033383870 569625471 /nfs/dbraw/zinc/62/54/71/569625471.db2.gz XDAZZFKXXPQPOJ-UHFFFAOYSA-N 0 0 493.928 5.457 40 5 JKBBRN CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1 ZINC000033612947 569628762 /nfs/dbraw/zinc/62/87/62/569628762.db2.gz MKMAYMKCFFPWHK-UHFFFAOYSA-N 0 0 462.915 5.064 40 5 JKBBRN COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000033659063 569630016 /nfs/dbraw/zinc/63/00/16/569630016.db2.gz KUWPUNPRWMLSQG-UHFFFAOYSA-N 0 0 497.463 6.114 40 5 JKBBRN CO/N=C(/C)[C@@H]1[C@H]([C@H](C)[N+](=O)[O-])C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000033686628 569630834 /nfs/dbraw/zinc/63/08/34/569630834.db2.gz HMHVRHXNTPHLFZ-VLECAFTCSA-N 0 0 460.615 5.411 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000035104962 569675050 /nfs/dbraw/zinc/67/50/50/569675050.db2.gz IVFORSBVWCGKFO-UHFFFAOYSA-N 0 0 456.332 5.252 40 5 JKBBRN O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000035152038 569676176 /nfs/dbraw/zinc/67/61/76/569676176.db2.gz XMCRMJDCEJYQJP-UHFFFAOYSA-N 0 0 494.979 5.461 40 5 JKBBRN O=[N+]([O-])c1ccccc1/C=C/c1cc(/C=C\c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000068563152 569691260 /nfs/dbraw/zinc/69/12/60/569691260.db2.gz VYMJPXODFITBKT-DSOJMZEYSA-N 0 0 462.374 5.660 40 5 JKBBRN Nc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(F)c(C(F)(F)F)c5)c4c3c2)cn1 ZINC000071329484 569697068 /nfs/dbraw/zinc/69/70/68/569697068.db2.gz MXRMEHBVJBSIPI-UHFFFAOYSA-N 0 0 450.395 5.341 40 5 JKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-] ZINC000072229237 569700615 /nfs/dbraw/zinc/70/06/15/569700615.db2.gz QREBQPHRJNVCAG-LBPRGKRZSA-N 0 0 452.736 5.642 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000072229997 569700752 /nfs/dbraw/zinc/70/07/52/569700752.db2.gz VYIZDDLGZKKIDW-DEOSSOPVSA-N 0 0 465.937 5.573 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000072229905 569700762 /nfs/dbraw/zinc/70/07/62/569700762.db2.gz DFRVHDXFAURFPZ-IBGZPJMESA-N 0 0 473.337 6.450 40 5 JKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)CC1 ZINC000072230008 569700775 /nfs/dbraw/zinc/70/07/75/569700775.db2.gz TYJHSUVKOFQYHD-VWLOTQADSA-N 0 0 479.964 5.819 40 5 JKBBRN Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000035851851 569716796 /nfs/dbraw/zinc/71/67/96/569716796.db2.gz QEKIEKMHKQUNFP-MGDCHWCSSA-N 0 0 499.592 5.030 40 5 JKBBRN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 ZINC000035855409 569716946 /nfs/dbraw/zinc/71/69/46/569716946.db2.gz AEMQDLSNILVURF-CBUXHAPBSA-N 0 0 499.592 5.030 40 5 JKBBRN CC(C)[C@@H]1CC[C@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000036020245 569750100 /nfs/dbraw/zinc/75/01/00/569750100.db2.gz MUSCJXZNWNRCOK-JMFZDZGDSA-N 0 0 470.549 9.486 40 5 JKBBRN COc1cc(C=C2N[C@@H](c3ccccc3)N(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2=O)ccc1O ZINC000100297909 569756900 /nfs/dbraw/zinc/75/69/00/569756900.db2.gz UJEPZFMTORBPDR-JVGWPHRLSA-N 0 0 486.311 5.292 40 5 JKBBRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)CC1 ZINC000100764362 569769156 /nfs/dbraw/zinc/76/91/56/569769156.db2.gz VZIGTKHTWHCUIU-CALCHBBNSA-N 0 0 451.519 5.183 40 5 JKBBRN Cc1cccc2c(=O)c3c(O)cc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc3oc12 ZINC000101375417 569795189 /nfs/dbraw/zinc/79/51/89/569795189.db2.gz CWTXTJDQLLCPHB-CALCHBBNSA-N 0 0 481.545 5.197 40 5 JKBBRN O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000039435890 569809884 /nfs/dbraw/zinc/80/98/84/569809884.db2.gz PBIFZEZLWSEZDR-UHFFFAOYSA-N 0 0 461.861 6.013 40 5 JKBBRN O=C1[C@@H]2[C@H](c3cccc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000102706940 569816570 /nfs/dbraw/zinc/81/65/70/569816570.db2.gz SRLUQNQQGCXAOS-DSITVLBTSA-N 0 0 499.910 5.453 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000102773757 569823565 /nfs/dbraw/zinc/82/35/65/569823565.db2.gz DCAZCKMMEAPQGQ-KALPRAJFSA-N 0 0 499.592 5.030 40 5 JKBBRN COc1ccccc1Cn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398709 569825896 /nfs/dbraw/zinc/82/58/96/569825896.db2.gz IHORPMZLAZJVNU-UHFFFAOYSA-N 0 0 478.335 5.064 40 5 JKBBRN Cc1ccc(Cn2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1 ZINC000040398711 569825961 /nfs/dbraw/zinc/82/59/61/569825961.db2.gz BAIXPXMLYZCKOJ-UHFFFAOYSA-N 0 0 462.336 5.364 40 5 JKBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1CCc1ccccc1 ZINC000040398717 569826024 /nfs/dbraw/zinc/82/60/24/569826024.db2.gz QAWFJEFABDXKPW-UHFFFAOYSA-N 0 0 462.336 5.250 40 5 JKBBRN O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000103438294 569835018 /nfs/dbraw/zinc/83/50/18/569835018.db2.gz KJCRNMQVFSKGOL-OHYPFYFLSA-N 0 0 475.508 5.865 40 5 JKBBRN O=c1/c(=C/c2cc([N+](=O)[O-])ccc2OCc2cccc3ccccc32)sc2nc3ccccc3n12 ZINC000041078062 569836031 /nfs/dbraw/zinc/83/60/31/569836031.db2.gz CZHLCASLXKVPKG-MYYYXRDXSA-N 0 0 479.517 5.097 40 5 JKBBRN COc1ccc2c3ccc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc3oc(=O)c2c1 ZINC000103647427 569836851 /nfs/dbraw/zinc/83/68/51/569836851.db2.gz CGVGFUBMQWQPNR-CALCHBBNSA-N 0 0 481.545 5.191 40 5 JKBBRN COc1ccc2c3ccc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)c(C)c3oc(=O)c2c1 ZINC000103647424 569836951 /nfs/dbraw/zinc/83/69/51/569836951.db2.gz KBBXNFZOJQVDNU-HDICACEKSA-N 0 0 495.572 5.500 40 5 JKBBRN Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N/C(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000104181346 569842475 /nfs/dbraw/zinc/84/24/75/569842475.db2.gz ATYYMJNNPFSSOV-OCOZRVBESA-N 0 0 474.498 5.380 40 5 JKBBRN CC1(C)[C@]2(c3ccccc3)[C@H]3[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)C[C@@H]3[C@]12c1ccccc1 ZINC000104280623 569844557 /nfs/dbraw/zinc/84/45/57/569844557.db2.gz TTYZBJSFCZZGFK-ZQFINEHZSA-N 0 0 484.508 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/nfs/dbraw/zinc/87/70/87/569877087.db2.gz FOUALQIOICMUCE-XQNSMLJCSA-N 0 0 476.510 5.289 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Br ZINC000215091926 569877171 /nfs/dbraw/zinc/87/71/71/569877171.db2.gz DFXWGEJOKDZNDH-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000215256923 569877269 /nfs/dbraw/zinc/87/72/69/569877269.db2.gz AOJKCWNMRCUUGY-FYJGNVAPSA-N 0 0 478.482 5.268 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215256725 569877298 /nfs/dbraw/zinc/87/72/98/569877298.db2.gz MHGRGRRXWGLILW-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215271252 569877321 /nfs/dbraw/zinc/87/73/21/569877321.db2.gz QWJXLZMXCRTDTQ-DJKKODMXSA-N 0 0 493.299 6.537 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223119100 569899950 /nfs/dbraw/zinc/89/99/50/569899950.db2.gz VTVCNVXSPCEKSZ-ZEQRLZLVSA-N 0 0 478.574 5.564 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223365039 569908947 /nfs/dbraw/zinc/90/89/47/569908947.db2.gz DWSZQXMDQHVEHF-DHIUTWEWSA-N 0 0 476.514 5.024 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223377159 569909343 /nfs/dbraw/zinc/90/93/43/569909343.db2.gz UYWISHQMMANCGH-AMGIVPHBSA-N 0 0 487.600 5.001 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223399870 569909890 /nfs/dbraw/zinc/90/98/90/569909890.db2.gz DPPRCVQAURJIBP-ZEQRLZLVSA-N 0 0 456.527 5.423 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223403312 569910013 /nfs/dbraw/zinc/91/00/13/569910013.db2.gz IVBFWPNYAXUHGV-RPBOFIJWSA-N 0 0 486.553 5.431 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223406838 569910188 /nfs/dbraw/zinc/91/01/88/569910188.db2.gz CFUVXHXCTQPFDQ-RPWUZVMVSA-N 0 0 456.527 5.423 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223437409 569911405 /nfs/dbraw/zinc/91/14/05/569911405.db2.gz DXFCVCLAKMRJCX-LOSJGSFVSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223437298 569911412 /nfs/dbraw/zinc/91/14/12/569911412.db2.gz DXFCVCLAKMRJCX-DQEYMECFSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223445936 569911609 /nfs/dbraw/zinc/91/16/09/569911609.db2.gz GMZYFTCXYNFXGF-DQEYMECFSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223775512 569922907 /nfs/dbraw/zinc/92/29/07/569922907.db2.gz CEXZLTMSIDJENG-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223782489 569923131 /nfs/dbraw/zinc/92/31/31/569923131.db2.gz KYLAKQQKRBOBST-ZEQRLZLVSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223782603 569923184 /nfs/dbraw/zinc/92/31/84/569923184.db2.gz KYLAKQQKRBOBST-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223796728 569923635 /nfs/dbraw/zinc/92/36/35/569923635.db2.gz JLXWCHFIZUCKIU-JOCHJYFZSA-N 0 0 492.041 5.205 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223877051 569925957 /nfs/dbraw/zinc/92/59/57/569925957.db2.gz HNQVGNOZMFMGIX-DNQXCXABSA-N 0 0 488.525 5.141 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223908672 569926921 /nfs/dbraw/zinc/92/69/21/569926921.db2.gz PYRZFHBRVSGRRM-LOSJGSFVSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223918545 569927251 /nfs/dbraw/zinc/92/72/51/569927251.db2.gz JKNXNTMNWYRXGA-JWQCQUIFSA-N 0 0 485.569 5.493 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223989890 569929641 /nfs/dbraw/zinc/92/96/41/569929641.db2.gz GHVXCBOFWQEPBW-DQEYMECFSA-N 0 0 499.552 5.385 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224200648 569936283 /nfs/dbraw/zinc/93/62/83/569936283.db2.gz BLUPERNEULZNNU-DEOSSOPVSA-N 0 0 483.634 5.003 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224213232 569936755 /nfs/dbraw/zinc/93/67/55/569936755.db2.gz JJCBYBWLUWAYKA-BJKOFHAPSA-N 0 0 455.543 5.266 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 ZINC000224218797 569936946 /nfs/dbraw/zinc/93/69/46/569936946.db2.gz BLKGSFTYAPIOCW-RPBOFIJWSA-N 0 0 486.553 5.744 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 ZINC000224218825 569936963 /nfs/dbraw/zinc/93/69/63/569936963.db2.gz BLKGSFTYAPIOCW-LOSJGSFVSA-N 0 0 486.553 5.744 40 5 JKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224220032 569936980 /nfs/dbraw/zinc/93/69/80/569936980.db2.gz XCWPJHPCHXSBAK-UHFFFAOYSA-N 0 0 454.482 6.102 40 5 JKBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224229022 569937264 /nfs/dbraw/zinc/93/72/64/569937264.db2.gz WJLYPZQEUHWMEQ-AREMUKBSSA-N 0 0 487.600 5.001 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224245513 569937897 /nfs/dbraw/zinc/93/78/97/569937897.db2.gz WSKOYAHHEPGMJD-ZEQRLZLVSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224245369 569937924 /nfs/dbraw/zinc/93/79/24/569937924.db2.gz RYOXJGODGZGYHI-RPWUZVMVSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224245406 569937932 /nfs/dbraw/zinc/93/79/32/569937932.db2.gz RYOXJGODGZGYHI-BJKOFHAPSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224247999 569938001 /nfs/dbraw/zinc/93/80/01/569938001.db2.gz CWLMVSGLKKBFSB-RPWUZVMVSA-N 0 0 456.527 5.735 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 ZINC000224251448 569938144 /nfs/dbraw/zinc/93/81/44/569938144.db2.gz KUFDBGXVEATMFB-JWQCQUIFSA-N 0 0 486.553 5.744 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224254600 569938220 /nfs/dbraw/zinc/93/82/20/569938220.db2.gz XHDPJYUSXLJISX-RPWUZVMVSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 ZINC000224261030 569938419 /nfs/dbraw/zinc/93/84/19/569938419.db2.gz OOFSWQCQPOVUFN-AREMUKBSSA-N 0 0 487.600 5.001 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000224287186 569939397 /nfs/dbraw/zinc/93/93/97/569939397.db2.gz QGKVLXLVJCSINW-RPBOFIJWSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000224287216 569939407 /nfs/dbraw/zinc/93/94/07/569939407.db2.gz QGKVLXLVJCSINW-LOSJGSFVSA-N 0 0 470.554 6.044 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224345853 569941368 /nfs/dbraw/zinc/94/13/68/569941368.db2.gz VEWFVZBNHQEIMK-DQEYMECFSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224345899 569941372 /nfs/dbraw/zinc/94/13/72/569941372.db2.gz VEWFVZBNHQEIMK-RPBOFIJWSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224345784 569941378 /nfs/dbraw/zinc/94/13/78/569941378.db2.gz KTHDXBZXYUHAHS-JWQCQUIFSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224354581 569941680 /nfs/dbraw/zinc/94/16/80/569941680.db2.gz ANQAHXJPDVQWOH-DQEYMECFSA-N 0 0 470.554 5.989 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224354818 569941684 /nfs/dbraw/zinc/94/16/84/569941684.db2.gz ZNRRVLOPLLMZQZ-RPBOFIJWSA-N 0 0 470.554 5.989 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224378224 569942521 /nfs/dbraw/zinc/94/25/21/569942521.db2.gz KSSRULBACFGCLS-CLJLJLNGSA-N 0 0 483.597 6.081 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224380484 569942641 /nfs/dbraw/zinc/94/26/41/569942641.db2.gz MMOKTWKZURPYQM-CLJLJLNGSA-N 0 0 484.581 6.550 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224387011 569942872 /nfs/dbraw/zinc/94/28/72/569942872.db2.gz AECILSYTIXBVES-IZZNHLLZSA-N 0 0 484.581 6.550 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224386871 569942887 /nfs/dbraw/zinc/94/28/87/569942887.db2.gz CPBDHFXDHFVSQH-CLJLJLNGSA-N 0 0 484.581 6.550 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 ZINC000224411986 569943811 /nfs/dbraw/zinc/94/38/11/569943811.db2.gz XJNYBLAIYLFYDM-PKTZIBPZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 ZINC000224418270 569943967 /nfs/dbraw/zinc/94/39/67/569943967.db2.gz LUEFCOOXTQFHSQ-DHIUTWEWSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)c1 ZINC000224418320 569943980 /nfs/dbraw/zinc/94/39/80/569943980.db2.gz LUEFCOOXTQFHSQ-PKTZIBPZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 ZINC000224442778 569944681 /nfs/dbraw/zinc/94/46/81/569944681.db2.gz WKBCHQSYNMXXBG-DHIUTWEWSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 ZINC000224443016 569944684 /nfs/dbraw/zinc/94/46/84/569944684.db2.gz JJUVPWRYAYPPTO-PKTZIBPZSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 ZINC000224442910 569944702 /nfs/dbraw/zinc/94/47/02/569944702.db2.gz WKBCHQSYNMXXBG-GOTSBHOMSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 ZINC000224445320 569944749 /nfs/dbraw/zinc/94/47/49/569944749.db2.gz KJSMDVGYDWXHIT-DHIUTWEWSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 ZINC000224452033 569944963 /nfs/dbraw/zinc/94/49/63/569944963.db2.gz DOFCKHUAGXIUCN-GOTSBHOMSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224474743 569945595 /nfs/dbraw/zinc/94/55/95/569945595.db2.gz LEVQLGXVIFPSAQ-GOTSBHOMSA-N 0 0 475.961 5.611 40 5 JKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224545534 569947875 /nfs/dbraw/zinc/94/78/75/569947875.db2.gz GBVPRKCHWVJARF-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224552657 569948145 /nfs/dbraw/zinc/94/81/45/569948145.db2.gz KDOHOVVJRCRNMM-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224552488 569948170 /nfs/dbraw/zinc/94/81/70/569948170.db2.gz ILJUWMAOWNVLKS-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000224588913 569949678 /nfs/dbraw/zinc/94/96/78/569949678.db2.gz IRWYYUFEHGJYJV-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 ZINC000224616977 569950966 /nfs/dbraw/zinc/95/09/66/569950966.db2.gz CDDBMLILDHTNSJ-GOTSBHOMSA-N 0 0 458.499 5.133 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 ZINC000224620370 569951098 /nfs/dbraw/zinc/95/10/98/569951098.db2.gz JCAIRPQIFBVVFP-RPWUZVMVSA-N 0 0 488.525 5.141 40 5 JKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224668229 569952923 /nfs/dbraw/zinc/95/29/23/569952923.db2.gz QHWIIDFTJYYZCI-QFIPXVFZSA-N 0 0 492.041 5.061 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 ZINC000224760271 569956426 /nfs/dbraw/zinc/95/64/26/569956426.db2.gz OGRJKHNOMWPBGY-XZOQPEGZSA-N 0 0 474.567 5.911 40 5 JKBBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224760419 569956437 /nfs/dbraw/zinc/95/64/37/569956437.db2.gz FFSJDUMJACTHHH-RPWUZVMVSA-N 0 0 488.594 6.220 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 ZINC000224761800 569956518 /nfs/dbraw/zinc/95/65/18/569956518.db2.gz LHQTXIFVRSNUAU-PKTZIBPZSA-N 0 0 473.583 5.646 40 5 JKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224777192 569957107 /nfs/dbraw/zinc/95/71/07/569957107.db2.gz APUJHNRXTCVTPC-HXUWFJFHSA-N 0 0 480.392 5.024 40 5 JKBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)c1 ZINC000224819464 569959076 /nfs/dbraw/zinc/95/90/76/569959076.db2.gz LJSBYSNVJLHCLU-NDEPHWFRSA-N 0 0 499.611 5.145 40 5 JKBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224845731 569960114 /nfs/dbraw/zinc/96/01/14/569960114.db2.gz HXRWEJWAOSVBGK-MUUNZHRXSA-N 0 0 499.611 5.145 40 5 JKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224848037 569960229 /nfs/dbraw/zinc/96/02/29/569960229.db2.gz DBIPONLFWWUTRW-HXUWFJFHSA-N 0 0 480.392 5.024 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224879287 569961466 /nfs/dbraw/zinc/96/14/66/569961466.db2.gz RCKBMUYYZRGYHO-XZOQPEGZSA-N 0 0 491.960 5.317 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000224908503 569962884 /nfs/dbraw/zinc/96/28/84/569962884.db2.gz HECPNSCMXQBRMT-RPWUZVMVSA-N 0 0 473.533 5.405 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F ZINC000224908295 569962914 /nfs/dbraw/zinc/96/29/14/569962914.db2.gz OZCLKDRQCOTHOP-ZEQRLZLVSA-N 0 0 473.533 5.405 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F ZINC000224916844 569963328 /nfs/dbraw/zinc/96/33/28/569963328.db2.gz IUJUNNAEZSIYKP-DNQXCXABSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)ccc1F ZINC000224917017 569963343 /nfs/dbraw/zinc/96/33/43/569963343.db2.gz ZLTASYFHRDQFNC-DNQXCXABSA-N 0 0 474.517 5.874 40 5 JKBBRN CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224947403 569964480 /nfs/dbraw/zinc/96/44/80/569964480.db2.gz AYJXPNQDLKAAKN-OAHLLOKOSA-N 0 0 498.432 5.078 40 5 JKBBRN Cc1c(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cccc1[N+](=O)[O-] ZINC000224956147 569964998 /nfs/dbraw/zinc/96/49/98/569964998.db2.gz ZCJNKQJVNSGCLU-UHFFFAOYSA-N 0 0 478.302 6.240 40 5 JKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000408602044 569969423 /nfs/dbraw/zinc/96/94/23/569969423.db2.gz AAQBOHQXCOBFLW-CSKARUKUSA-N 0 0 492.315 5.785 40 5 JKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408602095 569969440 /nfs/dbraw/zinc/96/94/40/569969440.db2.gz AIRKMMXRGSQFDE-FNORWQNLSA-N 0 0 492.315 5.785 40 5 JKBBRN CCOC(=O)C1C(c2ccccc2)=NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408603240 569969868 /nfs/dbraw/zinc/96/98/68/569969868.db2.gz FGXJKTWTYAKUNM-NRFANRHFSA-N 0 0 483.933 5.001 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000408603222 569969943 /nfs/dbraw/zinc/96/99/43/569969943.db2.gz BNRXTFVLCMTNPN-UHFFFAOYSA-N 0 0 469.925 5.585 40 5 JKBBRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408603990 569970195 /nfs/dbraw/zinc/97/01/95/569970195.db2.gz HYWDPMFSYUTVMD-UHFFFAOYSA-N 0 0 498.362 5.474 40 5 JKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604930 569970571 /nfs/dbraw/zinc/97/05/71/569970571.db2.gz FVHWBTXZVXWVBX-UHFFFAOYSA-N 0 0 451.281 6.240 40 5 JKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(Cl)c(C)c1 ZINC000408607656 569971618 /nfs/dbraw/zinc/97/16/18/569971618.db2.gz UEWUNYYAXFDFMO-UXBLZVDNSA-N 0 0 471.897 5.440 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408608939 569971985 /nfs/dbraw/zinc/97/19/85/569971985.db2.gz NCTJXVRSOGLENB-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408609052 569971998 /nfs/dbraw/zinc/97/19/98/569971998.db2.gz NQTMFGDPZNWRMD-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225053239 569972168 /nfs/dbraw/zinc/97/21/68/569972168.db2.gz DXPUGKIXGVHQNC-CLJLJLNGSA-N 0 0 498.612 5.255 40 5 JKBBRN COc1cc(CNc2ccc(Br)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408611064 569972605 /nfs/dbraw/zinc/97/26/05/569972605.db2.gz PXLBUMXSPKYXSW-UHFFFAOYSA-N 0 0 488.294 5.987 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)c1 ZINC000225061213 569972614 /nfs/dbraw/zinc/97/26/14/569972614.db2.gz KEOPTCXEUACTSF-IZZNHLLZSA-N 0 0 499.596 5.725 40 5 JKBBRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408612554 569973045 /nfs/dbraw/zinc/97/30/45/569973045.db2.gz SLWXTQSZHBXNMW-UHFFFAOYSA-N 0 0 461.743 6.510 40 5 JKBBRN CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408618898 569977030 /nfs/dbraw/zinc/97/70/30/569977030.db2.gz HYGXMLICIWJHKQ-UHFFFAOYSA-N 0 0 463.715 6.646 40 5 JKBBRN O=C(Nc1cccc(I)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408620870 569978076 /nfs/dbraw/zinc/97/80/76/569978076.db2.gz MPUGNNREHUFYBV-UHFFFAOYSA-N 0 0 468.634 5.365 40 5 JKBBRN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 ZINC000408621577 569978392 /nfs/dbraw/zinc/97/83/92/569978392.db2.gz OSLWCXJKBCAZDT-UHFFFAOYSA-N 0 0 485.334 5.896 40 5 JKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225161083 569979224 /nfs/dbraw/zinc/97/92/24/569979224.db2.gz VVYIZVGLJZZYTR-JOCHJYFZSA-N 0 0 471.985 5.047 40 5 JKBBRN Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408627057 569980883 /nfs/dbraw/zinc/98/08/83/569980883.db2.gz XSMJLVTYTZDNES-UHFFFAOYSA-N 0 0 493.463 5.284 40 5 JKBBRN O=C(Cc1ccccc1[N+](=O)[O-])N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC000225229152 569984229 /nfs/dbraw/zinc/98/42/29/569984229.db2.gz XVMQBNSPFKFESW-NDEPHWFRSA-N 0 0 499.611 5.226 40 5 JKBBRN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638476 569987961 /nfs/dbraw/zinc/98/79/61/569987961.db2.gz CLVYMEXMSUIUAR-OAHLLOKOSA-N 0 0 496.317 5.141 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1C ZINC000408641200 569989259 /nfs/dbraw/zinc/98/92/59/569989259.db2.gz LBUWGZXPNSQEQE-IBGZPJMESA-N 0 0 459.502 5.304 40 5 JKBBRN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408644865 569991010 /nfs/dbraw/zinc/99/10/10/569991010.db2.gz TWGQXJGVWOYAAT-MRXNPFEDSA-N 0 0 465.893 5.341 40 5 JKBBRN O=[N+]([O-])c1ccc(N2N[C@@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 ZINC000225350995 569992154 /nfs/dbraw/zinc/99/21/54/569992154.db2.gz FAUXLPBYAURBON-MHZLTWQESA-N 0 0 466.566 5.557 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000408672599 570008258 /nfs/dbraw/zinc/00/82/58/570008258.db2.gz OBESBACZZWCTFO-UHFFFAOYSA-N 0 0 467.481 6.200 40 5 JKBBRN COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)c2)cc1 ZINC000408672930 570008449 /nfs/dbraw/zinc/00/84/49/570008449.db2.gz PJOGQSAWNQDJOY-UHFFFAOYSA-N 0 0 483.480 5.900 40 5 JKBBRN O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408673557 570008726 /nfs/dbraw/zinc/00/87/26/570008726.db2.gz SYFNMNDUKLDMFR-UHFFFAOYSA-N 0 0 453.454 5.892 40 5 JKBBRN CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225614784 570009798 /nfs/dbraw/zinc/00/97/98/570009798.db2.gz JEAMLFBYRAENCM-HNNXBMFYSA-N 0 0 498.432 5.077 40 5 JKBBRN CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1 ZINC000408675475 570010285 /nfs/dbraw/zinc/01/02/85/570010285.db2.gz AWGNSTPVQPUERU-JWQCQUIFSA-N 0 0 481.508 5.360 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408676556 570010675 /nfs/dbraw/zinc/01/06/75/570010675.db2.gz DJISDTTZIXSDTE-WKEDTZOBSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1 ZINC000408682136 570012765 /nfs/dbraw/zinc/01/27/65/570012765.db2.gz IZFIPMDUVUZPGX-QFIPXVFZSA-N 0 0 488.359 5.454 40 5 JKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OCC ZINC000225677161 570014132 /nfs/dbraw/zinc/01/41/32/570014132.db2.gz JTVNAFMSDITEFY-UHFFFAOYSA-N 0 0 454.523 5.401 40 5 JKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1O[C@H](C)CC ZINC000225677198 570014138 /nfs/dbraw/zinc/01/41/38/570014138.db2.gz ULBRXNPXSRHXNI-QGZVFWFLSA-N 0 0 454.523 5.399 40 5 JKBBRN O=C(Nc1ccccc1C(=O)N1[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000408686772 570014193 /nfs/dbraw/zinc/01/41/93/570014193.db2.gz SUAMGBQQIMPRGO-FKCWEYQYSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408689429 570014870 /nfs/dbraw/zinc/01/48/70/570014870.db2.gz YDJDHPRCBWLHEI-JOCHJYFZSA-N 0 0 478.353 5.998 40 5 JKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(F)cc2)cc1Cl ZINC000408695073 570017534 /nfs/dbraw/zinc/01/75/34/570017534.db2.gz ONTUZZWFJODEDZ-UHFFFAOYSA-N 0 0 451.845 5.196 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225726140 570018175 /nfs/dbraw/zinc/01/81/75/570018175.db2.gz LBGZDRSCKVKESQ-FOIQADDNSA-N 0 0 480.392 5.166 40 5 JKBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)c1C ZINC000408696126 570018479 /nfs/dbraw/zinc/01/84/79/570018479.db2.gz WNONPMZHPQZTSR-UHFFFAOYSA-N 0 0 492.333 5.474 40 5 JKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC ZINC000225757009 570020324 /nfs/dbraw/zinc/02/03/24/570020324.db2.gz OXUDMHLNIVBUPI-UHFFFAOYSA-N 0 0 454.523 5.401 40 5 JKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC ZINC000225756904 570020330 /nfs/dbraw/zinc/02/03/30/570020330.db2.gz AMZARUXAXVRSJV-QGZVFWFLSA-N 0 0 454.523 5.399 40 5 JKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OCC ZINC000225757188 570020464 /nfs/dbraw/zinc/02/04/64/570020464.db2.gz IMBHHJWNCORBFT-UHFFFAOYSA-N 0 0 468.550 5.791 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704012 570023665 /nfs/dbraw/zinc/02/36/65/570023665.db2.gz IIANEGIRHUQSJG-QHCPKHFHSA-N 0 0 467.934 5.275 40 5 JKBBRN COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])sc2-c2ccccc2)cc1 ZINC000408722386 570027316 /nfs/dbraw/zinc/02/73/16/570027316.db2.gz IBAADQHGCYPNEL-UHFFFAOYSA-N 0 0 476.470 5.554 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000408728144 570028462 /nfs/dbraw/zinc/02/84/62/570028462.db2.gz WDOKHXGLAZCXAR-MTJSOVHGSA-N 0 0 466.902 6.068 40 5 JKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408729751 570028828 /nfs/dbraw/zinc/02/88/28/570028828.db2.gz CJTPXDLICMGYNC-QFIPXVFZSA-N 0 0 497.960 5.781 40 5 JKBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730843 570029115 /nfs/dbraw/zinc/02/91/15/570029115.db2.gz JINDGOBUQFBHEV-QHCPKHFHSA-N 0 0 499.589 5.115 40 5 JKBBRN CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000408730842 570029119 /nfs/dbraw/zinc/02/91/19/570029119.db2.gz JINDGOBUQFBHEV-HSZRJFAPSA-N 0 0 499.589 5.115 40 5 JKBBRN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408733547 570029757 /nfs/dbraw/zinc/02/97/57/570029757.db2.gz ZCNNIJJTRFUIQU-QFIPXVFZSA-N 0 0 481.892 5.616 40 5 JKBBRN O=c1[nH]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCC3 ZINC000408735126 570030088 /nfs/dbraw/zinc/03/00/88/570030088.db2.gz OHBFSRSFHQOSDR-UHFFFAOYSA-N 0 0 483.549 6.583 40 5 JKBBRN Cc1cccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408736955 570030642 /nfs/dbraw/zinc/03/06/42/570030642.db2.gz KDVXMAOULGQLEU-HHHXNRCGSA-N 0 0 493.563 5.401 40 5 JKBBRN Cc1cccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000408736956 570030688 /nfs/dbraw/zinc/03/06/88/570030688.db2.gz KDVXMAOULGQLEU-MHZLTWQESA-N 0 0 493.563 5.401 40 5 JKBBRN Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5cccc([N+](=O)[O-])c5C4=O)cc3s2)c(C)c1 ZINC000408749871 570033791 /nfs/dbraw/zinc/03/37/91/570033791.db2.gz JSEWDGDRNWMSOA-UHFFFAOYSA-N 0 0 489.578 6.223 40 5 JKBBRN O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408751001 570034210 /nfs/dbraw/zinc/03/42/10/570034210.db2.gz VFCVHIPYESGCQO-IRXDYDNUSA-N 0 0 453.545 5.176 40 5 JKBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@H]12 ZINC000408752772 570034783 /nfs/dbraw/zinc/03/47/83/570034783.db2.gz GTSFDIVUDZWNDA-BDELYBFDSA-N 0 0 486.527 5.833 40 5 JKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408755156 570035302 /nfs/dbraw/zinc/03/53/02/570035302.db2.gz BTHDAVNSJOIPSM-UHFFFAOYSA-N 0 0 457.873 6.254 40 5 JKBBRN Cc1ccccc1N1C(=O)c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408755316 570035364 /nfs/dbraw/zinc/03/53/64/570035364.db2.gz DIKHRRCJOFHJMU-UHFFFAOYSA-N 0 0 457.873 6.254 40 5 JKBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 ZINC000408755283 570035375 /nfs/dbraw/zinc/03/53/75/570035375.db2.gz CVKDYYVNYSZIJL-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN Cc1ccc(C)c(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408756973 570035672 /nfs/dbraw/zinc/03/56/72/570035672.db2.gz KYHIGCKAXLPDSW-UHFFFAOYSA-N 0 0 471.900 6.562 40 5 JKBBRN CCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)c(C)c2)C1=O ZINC000408757316 570035756 /nfs/dbraw/zinc/03/57/56/570035756.db2.gz LZBOVJZSAGSCCN-UHFFFAOYSA-N 0 0 453.292 5.492 40 5 JKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c1C ZINC000408757251 570035871 /nfs/dbraw/zinc/03/58/71/570035871.db2.gz LLQNFZKWQWRVBA-UHFFFAOYSA-N 0 0 471.900 6.562 40 5 JKBBRN 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CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1 ZINC000408769143 570038590 /nfs/dbraw/zinc/03/85/90/570038590.db2.gz OVDXOXGOLDQOGN-GJFKPFFXSA-N 0 0 461.543 5.336 40 5 JKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408771332 570039019 /nfs/dbraw/zinc/03/90/19/570039019.db2.gz FNWPQJOGKHFMDN-GJFKPFFXSA-N 0 0 461.543 5.336 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(OCc4ccccc4)cc3[N+](=O)[O-])S2)cc1 ZINC000408778828 570040959 /nfs/dbraw/zinc/04/09/59/570040959.db2.gz MAELRMGVLDQCFH-ZSJKCPIUSA-N 0 0 491.569 5.344 40 5 JKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 ZINC000408781847 570041854 /nfs/dbraw/zinc/04/18/54/570041854.db2.gz FHRLMGWRUVULCU-FUFNRSNVSA-N 0 0 498.608 6.068 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3c(C)n(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)S2)cc1 ZINC000408781849 570041874 /nfs/dbraw/zinc/04/18/74/570041874.db2.gz FHRLMGWRUVULCU-PRLWALMFSA-N 0 0 498.608 6.068 40 5 JKBBRN 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O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409194160 570163032 /nfs/dbraw/zinc/16/30/32/570163032.db2.gz NOBUXXPQACJSPX-WOJGMQOQSA-N 0 0 453.863 5.676 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000409194884 570163238 /nfs/dbraw/zinc/16/32/38/570163238.db2.gz DVVVAJHTFRJYFW-UHFFFAOYSA-N 0 0 453.325 7.246 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1C ZINC000409198964 570164447 /nfs/dbraw/zinc/16/44/47/570164447.db2.gz GKKLQMKAAKZCMU-RFBIWTDZSA-N 0 0 477.973 6.340 40 5 JKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409199040 570164478 /nfs/dbraw/zinc/16/44/78/570164478.db2.gz AUKAUVHUDXZYTB-JCMHNJIXSA-N 0 0 496.997 6.678 40 5 JKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 ZINC000409199809 570164797 /nfs/dbraw/zinc/16/47/97/570164797.db2.gz DXEIFMAPAWYQGK-HYARGMPZSA-N 0 0 491.481 5.574 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409200186 570164958 /nfs/dbraw/zinc/16/49/58/570164958.db2.gz GXLDUNABAABONS-YBFXNURJSA-N 0 0 456.863 5.758 40 5 JKBBRN COCCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)C1=O ZINC000409201735 570165575 /nfs/dbraw/zinc/16/55/75/570165575.db2.gz NOCDCHXTQUATSZ-VCHYOVAHSA-N 0 0 498.435 5.097 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1cccc(Br)c1 ZINC000409203581 570166535 /nfs/dbraw/zinc/16/65/35/570166535.db2.gz YSQQPGWEVOIXPU-UUASQNMZSA-N 0 0 488.146 5.901 40 5 JKBBRN O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000409208723 570168332 /nfs/dbraw/zinc/16/83/32/570168332.db2.gz CUQAWFCUUUFQEV-FSJBWODESA-N 0 0 489.940 6.492 40 5 JKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409213152 570170893 /nfs/dbraw/zinc/17/08/93/570170893.db2.gz OUAUFABEBFWAEK-CIAFOILYSA-N 0 0 477.498 5.147 40 5 JKBBRN COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409222272 570174879 /nfs/dbraw/zinc/17/48/79/570174879.db2.gz WLVMZYDDQRXLOY-WOJGMQOQSA-N 0 0 482.436 5.479 40 5 JKBBRN CC(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958478 570179217 /nfs/dbraw/zinc/17/92/17/570179217.db2.gz APGFVVNHTMVTAC-UHFFFAOYSA-N 0 0 467.835 5.012 40 5 JKBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000329047109 570183025 /nfs/dbraw/zinc/18/30/25/570183025.db2.gz UEUKAYZAPSEZIW-UHFFFAOYSA-N 0 0 473.455 6.439 40 5 JKBBRN Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000409244296 570183497 /nfs/dbraw/zinc/18/34/97/570183497.db2.gz ATGSACGQVIEVTK-ODLFYWEKSA-N 0 0 482.290 5.019 40 5 JKBBRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409246502 570184446 /nfs/dbraw/zinc/18/44/46/570184446.db2.gz CBBVQCHYYPTXHJ-WOJGMQOQSA-N 0 0 497.356 5.553 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2-c2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000409255993 570186920 /nfs/dbraw/zinc/18/69/20/570186920.db2.gz NBFNONXOIDQURC-UHFFFAOYSA-N 0 0 472.276 6.335 40 5 JKBBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409258619 570187295 /nfs/dbraw/zinc/18/72/95/570187295.db2.gz VSIBPECYDUYICI-UHFFFAOYSA-N 0 0 477.498 5.079 40 5 JKBBRN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409267764 570188746 /nfs/dbraw/zinc/18/87/46/570188746.db2.gz XMRWZYPFUOKQPB-UHFFFAOYSA-N 0 0 494.485 5.560 40 5 JKBBRN O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409268534 570188857 /nfs/dbraw/zinc/18/88/57/570188857.db2.gz VFONENNVQXSTFJ-LDADJPATSA-N 0 0 457.711 6.190 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000409272214 570189409 /nfs/dbraw/zinc/18/94/09/570189409.db2.gz MMPQUTGRMLGYMG-SRZZPIQSSA-N 0 0 498.900 5.436 40 5 JKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 ZINC000408541309 570191593 /nfs/dbraw/zinc/19/15/93/570191593.db2.gz CEJWTFOEUPQHNO-YVMONPNESA-N 0 0 463.259 5.551 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408544406 570192571 /nfs/dbraw/zinc/19/25/71/570192571.db2.gz SVHDVPZVBNQMSB-YVMONPNESA-N 0 0 479.367 6.180 40 5 JKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1OC ZINC000408547497 570193821 /nfs/dbraw/zinc/19/38/21/570193821.db2.gz YHJMEKGTCHIWET-UHFFFAOYSA-N 0 0 465.409 5.052 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408554378 570196195 /nfs/dbraw/zinc/19/61/95/570196195.db2.gz DNDJOMULUWEJDC-UHFFFAOYSA-N 0 0 475.314 6.086 40 5 JKBBRN CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408555733 570196982 /nfs/dbraw/zinc/19/69/82/570196982.db2.gz IDVTVGWBRLAAHK-XMMPIXPASA-N 0 0 484.961 6.005 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2C)cc1 ZINC000409310384 570199016 /nfs/dbraw/zinc/19/90/16/570199016.db2.gz AYSXKTVPIOWQQL-UHFFFAOYSA-N 0 0 487.965 5.007 40 5 JKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408559656 570199889 /nfs/dbraw/zinc/19/98/89/570199889.db2.gz AQXDATZUDYZYEW-NMWGTECJSA-N 0 0 470.765 6.154 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc4ccccc43)c(Br)c2)c1 ZINC000408560574 570200439 /nfs/dbraw/zinc/20/04/39/570200439.db2.gz ZRMWOORAYUHRSC-UHFFFAOYSA-N 0 0 463.331 6.702 40 5 JKBBRN CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408560952 570200662 /nfs/dbraw/zinc/20/06/62/570200662.db2.gz GBODIRVHLFGREO-ATJXCDBQSA-N 0 0 450.347 5.755 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561235 570200941 /nfs/dbraw/zinc/20/09/41/570200941.db2.gz HFXSQUDNNMCJJP-FLFQWRMESA-N 0 0 464.374 6.145 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561582 570201166 /nfs/dbraw/zinc/20/11/66/570201166.db2.gz JZEUOOWBTNIOGZ-ATJXCDBQSA-N 0 0 450.347 5.755 40 5 JKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408561739 570201272 /nfs/dbraw/zinc/20/12/72/570201272.db2.gz KSDLFWLIFCLBCC-NMWGTECJSA-N 0 0 470.765 6.154 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562507 570201863 /nfs/dbraw/zinc/20/18/63/570201863.db2.gz QKJJKFCLCKGFCO-BZZOAKBMSA-N 0 0 457.983 6.109 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408564494 570202635 /nfs/dbraw/zinc/20/26/35/570202635.db2.gz YVTJQHVBGGOMJK-LNVKXUELSA-N 0 0 474.380 5.601 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564475 570202684 /nfs/dbraw/zinc/20/26/84/570202684.db2.gz DDMNBCGEEMQPKF-FMNCTDSISA-N 0 0 498.366 5.094 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564671 570202732 /nfs/dbraw/zinc/20/27/32/570202732.db2.gz DNSIGFNSTHVEOC-NIDLKEISSA-N 0 0 498.366 5.094 40 5 JKBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc43)cc2)ccc1[N+](=O)[O-] ZINC000408564657 570202799 /nfs/dbraw/zinc/20/27/99/570202799.db2.gz ZVQYWUDVZUJKGF-UHFFFAOYSA-N 0 0 461.499 5.110 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 ZINC000408564860 570202910 /nfs/dbraw/zinc/20/29/10/570202910.db2.gz APCWFLLEEYIMDQ-DEOSSOPVSA-N 0 0 476.558 5.273 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408565124 570203039 /nfs/dbraw/zinc/20/30/39/570203039.db2.gz BFYOPKPSTKYWMI-HXUWFJFHSA-N 0 0 451.866 5.717 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000408565123 570203093 /nfs/dbraw/zinc/20/30/93/570203093.db2.gz BFYOPKPSTKYWMI-FQEVSTJZSA-N 0 0 451.866 5.717 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408565723 570203497 /nfs/dbraw/zinc/20/34/97/570203497.db2.gz CXELEHBALJNHRE-VWLOTQADSA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000408566309 570203726 /nfs/dbraw/zinc/20/37/26/570203726.db2.gz FGZYMKZHNUXVEL-VWLOTQADSA-N 0 0 474.586 5.882 40 5 JKBBRN COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] ZINC000409330172 570203838 /nfs/dbraw/zinc/20/38/38/570203838.db2.gz JXMXSNOFEFXAPN-HHHXNRCGSA-N 0 0 465.509 5.969 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000408567099 570203901 /nfs/dbraw/zinc/20/39/01/570203901.db2.gz GLIUQOHHJMPGKL-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000408567203 570203992 /nfs/dbraw/zinc/20/39/92/570203992.db2.gz GSJOHARNTFKVIY-GOSISDBHSA-N 0 0 483.377 5.400 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)cc1 ZINC000408569103 570204246 /nfs/dbraw/zinc/20/42/46/570204246.db2.gz IVEJBENPJSIYRR-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)cc1 ZINC000408569086 570204258 /nfs/dbraw/zinc/20/42/58/570204258.db2.gz ITKNQDMFDBSXKP-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1ccc(COc2ccc([C@@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Br)cc1 ZINC000408569099 570204262 /nfs/dbraw/zinc/20/42/62/570204262.db2.gz IUUQXBRTCJFZMT-OAQYLSRUSA-N 0 0 465.347 6.226 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408569072 570204290 /nfs/dbraw/zinc/20/42/90/570204290.db2.gz IPNLIHJWCBHGED-HXUWFJFHSA-N 0 0 485.367 6.861 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000408569143 570204361 /nfs/dbraw/zinc/20/43/61/570204361.db2.gz IZAVGAGAOMJLCI-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(C)c1 ZINC000408569889 570204451 /nfs/dbraw/zinc/20/44/51/570204451.db2.gz KDUXCFFBIUKDNC-RUZDIDTESA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408569969 570204454 /nfs/dbraw/zinc/20/44/54/570204454.db2.gz KKLGJCCBMMPVDW-VWLOTQADSA-N 0 0 474.586 5.882 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408569968 570204469 /nfs/dbraw/zinc/20/44/69/570204469.db2.gz KKLGJCCBMMPVDW-RUZDIDTESA-N 0 0 474.586 5.882 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl ZINC000408570888 570204619 /nfs/dbraw/zinc/20/46/19/570204619.db2.gz MEJNIOPEJPQFRD-QGZVFWFLSA-N 0 0 471.341 5.530 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)ccc1OCc1ccccc1 ZINC000408571070 570204633 /nfs/dbraw/zinc/20/46/33/570204633.db2.gz NFSNIXCRVKLVET-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl ZINC000408571178 570204702 /nfs/dbraw/zinc/20/47/02/570204702.db2.gz OBGKYTWRKPLPLU-QGZVFWFLSA-N 0 0 487.796 6.045 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1F ZINC000408571334 570204718 /nfs/dbraw/zinc/20/47/18/570204718.db2.gz OJYJYJWQMRKAAF-FQEVSTJZSA-N 0 0 469.310 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)c(Cl)c2)n1-c1ccccc1 ZINC000408571641 570204811 /nfs/dbraw/zinc/20/48/11/570204811.db2.gz PJLXLFGXLSOACQ-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 ZINC000408571957 570204856 /nfs/dbraw/zinc/20/48/56/570204856.db2.gz QBMROLMQFNOAHL-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000408572405 570204929 /nfs/dbraw/zinc/20/49/29/570204929.db2.gz RBUWDHRBDPTXAQ-GOSISDBHSA-N 0 0 459.304 6.601 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)cc1 ZINC000408572371 570204945 /nfs/dbraw/zinc/20/49/45/570204945.db2.gz QYSDFXHQVGDYMS-DEOSSOPVSA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccccc1 ZINC000408572424 570204970 /nfs/dbraw/zinc/20/49/70/570204970.db2.gz RDMDIHSCLALDSU-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)cc1 ZINC000408572736 570204985 /nfs/dbraw/zinc/20/49/85/570204985.db2.gz RXMOLDOFYJFLNK-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408572661 570205005 /nfs/dbraw/zinc/20/50/05/570205005.db2.gz RQRTYOFEKJHSSC-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000408573192 570205090 /nfs/dbraw/zinc/20/50/90/570205090.db2.gz MTFRLYRNQDMCSL-SDNWHVSQSA-N 0 0 486.572 5.207 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408573061 570205098 /nfs/dbraw/zinc/20/50/98/570205098.db2.gz SHKJJUBTLWHSKR-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408573037 570205118 /nfs/dbraw/zinc/20/51/18/570205118.db2.gz SFUOQLMLOHJCKA-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1cccc(C)c1 ZINC000408574038 570205354 /nfs/dbraw/zinc/20/53/54/570205354.db2.gz ULNYRGHOFWLFQJ-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 ZINC000408574406 570205388 /nfs/dbraw/zinc/20/53/88/570205388.db2.gz USUUQKHGAAJMGQ-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 ZINC000408574523 570205482 /nfs/dbraw/zinc/20/54/82/570205482.db2.gz VCGMNKCCNDWXSI-LJQANCHMSA-N 0 0 477.384 5.155 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Br)cc1 ZINC000408575070 570205560 /nfs/dbraw/zinc/20/55/60/570205560.db2.gz VXTCGYVNOIZLRQ-NRFANRHFSA-N 0 0 451.320 5.918 40 5 JKBBRN CCOC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCC2 ZINC000408574987 570205571 /nfs/dbraw/zinc/20/55/71/570205571.db2.gz NRPPTTSXAPDMOB-HMMYKYKNSA-N 0 0 462.527 5.501 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 ZINC000408575108 570205599 /nfs/dbraw/zinc/20/55/99/570205599.db2.gz WAMGGLFWHFMJGV-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408575898 570205776 /nfs/dbraw/zinc/20/57/76/570205776.db2.gz WZQOADKRMZGLCI-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Br ZINC000408575828 570205783 /nfs/dbraw/zinc/20/57/83/570205783.db2.gz WWFOZBDKASYGRP-LJQANCHMSA-N 0 0 477.384 5.074 40 5 JKBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cccc1[N+](=O)[O-] ZINC000408576029 570205804 /nfs/dbraw/zinc/20/58/04/570205804.db2.gz MBIASQLRXVWEFK-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408576486 570205989 /nfs/dbraw/zinc/20/59/89/570205989.db2.gz WCSZZLWISHWNFC-JJIBRWJFSA-N 0 0 482.923 6.659 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408576688 570206001 /nfs/dbraw/zinc/20/60/01/570206001.db2.gz YBMQSSQDAPGEOE-FQEVSTJZSA-N 0 0 451.866 5.717 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408577080 570206062 /nfs/dbraw/zinc/20/60/62/570206062.db2.gz YNWTZDREMVVKEY-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000408580768 570206663 /nfs/dbraw/zinc/20/66/63/570206663.db2.gz DWOSWSWVUCSURG-UHFFFAOYSA-N 0 0 482.871 5.763 40 5 JKBBRN COC(=O)c1c2ccc3ccc4cccnc4c3n2c(C(=O)c2ccc(Cl)cc2)c1C(=O)OC ZINC000000638994 193868341 /nfs/dbraw/zinc/86/83/41/193868341.db2.gz KJTDFNWYVBLLQR-UHFFFAOYSA-N 0 0 472.884 5.098 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000001212460 194071690 /nfs/dbraw/zinc/07/16/90/194071690.db2.gz CRGLESUARFMDBY-OPIFHRFKSA-N 0 0 478.504 5.027 40 5 JKBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@H]4C)c3cc2c1 ZINC000001327849 194088227 /nfs/dbraw/zinc/08/82/27/194088227.db2.gz FTAJRBAPOWXLNN-CQSZACIVSA-N 0 0 472.595 5.471 40 5 JKBBRN CC(=O)Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845208 194364046 /nfs/dbraw/zinc/36/40/46/194364046.db2.gz GDPXPLJIYGSVEG-PHEQNACWSA-N 0 0 486.484 5.761 40 5 JKBBRN O=[N+]([O-])c1cc([C@@H](O)Cc2ccc3ccccc3n2)ccc1[C@@H](O)Cc1ccc2ccccc2n1 ZINC000003845190 194364096 /nfs/dbraw/zinc/36/40/96/194364096.db2.gz NQCMQHOPGXXXNG-NSOVKSMOSA-N 0 0 465.509 5.243 40 5 JKBBRN O=c1c2c([nH]c(=S)n1-c1ccccc1)sc1sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c12 ZINC000003850760 194364610 /nfs/dbraw/zinc/36/46/10/194364610.db2.gz UQVAKDPUHWTUCF-UHFFFAOYSA-N 0 0 492.632 5.686 40 5 JKBBRN O=C(c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1)c1ccc2ccccc2c1 ZINC000003848872 194364671 /nfs/dbraw/zinc/36/46/71/194364671.db2.gz TVKHVLLWDGGYLH-UHFFFAOYSA-N 0 0 484.489 5.467 40 5 JKBBRN CCOC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)c(-c2cccs2)nn1-c1ccc([N+](=O)[O-])cc1 ZINC000004293487 194387692 /nfs/dbraw/zinc/38/76/92/194387692.db2.gz XKTNAVZZRTVEMT-UHFFFAOYSA-N 0 0 464.459 5.261 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020610406 195183629 /nfs/dbraw/zinc/18/36/29/195183629.db2.gz QFKRUYFRITUCKS-UHFFFAOYSA-N 0 0 457.421 5.289 40 5 JKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610607 195183782 /nfs/dbraw/zinc/18/37/82/195183782.db2.gz ZHYWZFBQOXKXJE-DTQAZKPQSA-N 0 0 493.523 6.364 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000020610917 195184167 /nfs/dbraw/zinc/18/41/67/195184167.db2.gz UVIAFILADCZYQA-UHFFFAOYSA-N 0 0 489.875 5.503 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)c([N+](=O)[O-])c1 ZINC000020610953 195184271 /nfs/dbraw/zinc/18/42/71/195184271.db2.gz GKEKVLKAFRBZAJ-UHFFFAOYSA-N 0 0 453.458 5.458 40 5 JKBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020611117 195184922 /nfs/dbraw/zinc/18/49/22/195184922.db2.gz SGYTWFCKPFADBD-UHFFFAOYSA-N 0 0 474.496 5.019 40 5 JKBBRN CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 ZINC000020671727 195198716 /nfs/dbraw/zinc/19/87/16/195198716.db2.gz PTUJDQNVHLGOCR-IBGZPJMESA-N 0 0 473.558 5.361 40 5 JKBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000021124442 195280428 /nfs/dbraw/zinc/28/04/28/195280428.db2.gz KEKZUJZBMZBWAG-QPJJXVBHSA-N 0 0 478.244 5.730 40 5 JKBBRN 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CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c4ccccc4ccc23)cc1 ZINC000012487989 518362183 /nfs/dbraw/zinc/36/21/83/518362183.db2.gz UPQBQKWWYZZBEZ-UHFFFAOYSA-N 0 0 477.589 6.692 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000020460947 519023834 /nfs/dbraw/zinc/02/38/34/519023834.db2.gz KOKAZHMXDUNNGX-UHFFFAOYSA-N 0 0 452.532 5.065 40 5 JKBBRN CC1(C)CC(OC(=O)c2c3ccccc3c3ccc4cccc5ccc2c3c45)CC(C)(C)N1O ZINC000005639601 520288634 /nfs/dbraw/zinc/28/86/34/520288634.db2.gz FLQLHBSGRYKHTQ-UHFFFAOYSA-N 0 0 451.566 7.305 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022710248 521264438 /nfs/dbraw/zinc/26/44/38/521264438.db2.gz WXONXJJWJASXKA-UHFFFAOYSA-N 0 0 474.477 5.140 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000022716613 521266221 /nfs/dbraw/zinc/26/62/21/521266221.db2.gz JXHGYIUZTMGFHD-UHFFFAOYSA-N 0 0 479.924 5.342 40 5 JKBBRN 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O=C(Cc1cccc2ccccc21)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009062411 554879852 /nfs/dbraw/zinc/87/98/52/554879852.db2.gz GDLQKISIXITLQB-UHFFFAOYSA-N 0 0 493.479 5.232 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 ZINC000009062443 554879865 /nfs/dbraw/zinc/87/98/65/554879865.db2.gz KSJMTQZJOMNWRK-UHFFFAOYSA-N 0 0 479.905 5.271 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1[N+](=O)[O-] ZINC000009063984 554882004 /nfs/dbraw/zinc/88/20/04/554882004.db2.gz SWLRKNZIIFJQGM-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000009200059 554971483 /nfs/dbraw/zinc/97/14/83/554971483.db2.gz OOAHWRGKBHIDOU-UHFFFAOYSA-N 0 0 460.515 5.197 40 5 JKBBRN O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009200128 554971781 /nfs/dbraw/zinc/97/17/81/554971781.db2.gz GFVRLAAZKCYXPQ-UHFFFAOYSA-N 0 0 480.933 5.542 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(F)cc1 ZINC000009232485 555004715 /nfs/dbraw/zinc/00/47/15/555004715.db2.gz CDNAFZZMSFMIOK-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000009232487 555004719 /nfs/dbraw/zinc/00/47/19/555004719.db2.gz YJKCRIGRCHICGK-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1F ZINC000009232491 555004759 /nfs/dbraw/zinc/00/47/59/555004759.db2.gz PAIODWIULGGAPD-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000009233109 555005798 /nfs/dbraw/zinc/00/57/98/555005798.db2.gz PUQIOMBZMOYLAU-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1Cl ZINC000009233630 555006679 /nfs/dbraw/zinc/00/66/79/555006679.db2.gz BJAIXZCDTFJRKK-UDWIEESQSA-N 0 0 496.932 5.022 40 5 JKBBRN Cc1ccc(N2C(=O)[C@H]3[C@H](ON(c4cccc([N+](=O)[O-])c4)[C@@H]3c3c(F)cccc3Cl)C2=O)c(C)c1 ZINC000009344767 555110061 /nfs/dbraw/zinc/11/00/61/555110061.db2.gz XRNUNXKWWYCCAH-ZLNRFVROSA-N 0 0 495.894 5.055 40 5 JKBBRN O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000009570932 555368675 /nfs/dbraw/zinc/36/86/75/555368675.db2.gz UFTITDHAEBJGHD-UHFFFAOYSA-N 0 0 497.939 5.290 40 5 JKBBRN Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCc2ccccc2)cc1 ZINC000013304863 555374295 /nfs/dbraw/zinc/37/42/95/555374295.db2.gz ZEQOZTHGNBJUNH-UQQQWYQISA-N 0 0 481.508 5.251 40 5 JKBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000013372488 555393003 /nfs/dbraw/zinc/39/30/03/555393003.db2.gz UIVXUBOHXNEVQE-UHFFFAOYSA-N 0 0 482.521 6.255 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)cc2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013388391 555394173 /nfs/dbraw/zinc/39/41/73/555394173.db2.gz ASCIWFDYUPFCSF-UHFFFAOYSA-N 0 0 481.530 5.181 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000013388943 555394372 /nfs/dbraw/zinc/39/43/72/555394372.db2.gz KVLTUAORPMWDPX-UHFFFAOYSA-N 0 0 464.934 5.898 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12 ZINC000013400439 555395814 /nfs/dbraw/zinc/39/58/14/555395814.db2.gz STKXSQJWQGQEHZ-UHFFFAOYSA-N 0 0 460.515 5.253 40 5 JKBBRN Cc1sc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000013400365 555395833 /nfs/dbraw/zinc/39/58/33/555395833.db2.gz JNEXBKTYDBBSLP-UHFFFAOYSA-N 0 0 480.571 5.011 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500048 555436012 /nfs/dbraw/zinc/43/60/12/555436012.db2.gz MYVDUNQXOGASSU-UHFFFAOYSA-N 0 0 458.522 5.683 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3ccc(Cl)cc3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500047 555436058 /nfs/dbraw/zinc/43/60/58/555436058.db2.gz DACOKQSUASPOJE-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013509781 555481766 /nfs/dbraw/zinc/48/17/66/555481766.db2.gz OWGKPLHFWQHVBD-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509739 555481771 /nfs/dbraw/zinc/48/17/71/555481771.db2.gz OWIJYUSOKDTLDO-UHFFFAOYSA-N 0 0 472.549 5.361 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509753 555481783 /nfs/dbraw/zinc/48/17/83/555481783.db2.gz IKYYXTKHQFEDGB-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013509775 555481789 /nfs/dbraw/zinc/48/17/89/555481789.db2.gz OPXNPHWZWNCLHD-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3ccccc3Cl)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509747 555481836 /nfs/dbraw/zinc/48/18/36/555481836.db2.gz AHWFDAHZZGDFFK-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C(C)C)cc2)cc1 ZINC000019856416 555515384 /nfs/dbraw/zinc/51/53/84/555515384.db2.gz MZTKKHKBLRCJEF-UHFFFAOYSA-N 0 0 481.574 5.169 40 5 JKBBRN Cc1ccc(CN(c2ccc3sc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3c2)S(C)(=O)=O)cc1 ZINC000013584241 555521706 /nfs/dbraw/zinc/52/17/06/555521706.db2.gz SAYYWVBFIJJVGM-UHFFFAOYSA-N 0 0 495.582 5.336 40 5 JKBBRN COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000013609686 555533114 /nfs/dbraw/zinc/53/31/14/555533114.db2.gz BOUPERIUYMWGSB-UHFFFAOYSA-N 0 0 463.877 5.306 40 5 JKBBRN O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019927321 555542247 /nfs/dbraw/zinc/54/22/47/555542247.db2.gz WUSJYBHOFONUOQ-UHFFFAOYSA-N 0 0 454.689 5.036 40 5 JKBBRN Cc1ccc(C)c(-c2nn(-c3cc(N4CCCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)c1 ZINC000013633026 555543116 /nfs/dbraw/zinc/54/31/16/555543116.db2.gz VOEKPUWCPXUEKK-UHFFFAOYSA-N 0 0 454.530 5.568 40 5 JKBBRN O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019928105 555543181 /nfs/dbraw/zinc/54/31/81/555543181.db2.gz LMWZEQDMXXJCAO-UHFFFAOYSA-N 0 0 459.698 5.336 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc21 ZINC000010010639 555593083 /nfs/dbraw/zinc/59/30/83/555593083.db2.gz SAIRUBKKZKSUKT-UHFFFAOYSA-N 0 0 464.286 6.032 40 5 JKBBRN O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000010041478 555605963 /nfs/dbraw/zinc/60/59/63/555605963.db2.gz WTZRWOGIZDMOMH-UHFFFAOYSA-N 0 0 496.519 5.379 40 5 JKBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000010120081 555632022 /nfs/dbraw/zinc/63/20/22/555632022.db2.gz ZSLFSKLVNXSNNI-UHFFFAOYSA-N 0 0 456.502 5.569 40 5 JKBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2Cl)cc1 ZINC000020111129 555647785 /nfs/dbraw/zinc/64/77/85/555647785.db2.gz SZHNXVFLBDKFTO-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000020140604 555663323 /nfs/dbraw/zinc/66/33/23/555663323.db2.gz NMTAGAHGMSGFQF-UHFFFAOYSA-N 0 0 452.850 5.821 40 5 JKBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000020142800 555663874 /nfs/dbraw/zinc/66/38/74/555663874.db2.gz VYCSMTMFJWQMKJ-UHFFFAOYSA-N 0 0 455.898 5.243 40 5 JKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)CC1 ZINC000020142854 555663899 /nfs/dbraw/zinc/66/38/99/555663899.db2.gz FBVBWSSDSQZNAM-UHFFFAOYSA-N 0 0 469.925 5.489 40 5 JKBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020145342 555664374 /nfs/dbraw/zinc/66/43/74/555664374.db2.gz IHHLNXLLZLGHKI-UKTHLTGXSA-N 0 0 460.442 5.268 40 5 JKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 ZINC000020145346 555664391 /nfs/dbraw/zinc/66/43/91/555664391.db2.gz WUBVMGMTEVYNRN-UKTHLTGXSA-N 0 0 460.442 5.268 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)o1 ZINC000020151056 555667911 /nfs/dbraw/zinc/66/79/11/555667911.db2.gz FTHPUDCKQDTVML-IZZDOVSWSA-N 0 0 478.888 6.221 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000020151018 555667965 /nfs/dbraw/zinc/66/79/65/555667965.db2.gz HGUYEMJYIUOYPR-IZZDOVSWSA-N 0 0 478.888 6.221 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1-c1ccc(CO)o1 ZINC000020151061 555667972 /nfs/dbraw/zinc/66/79/72/555667972.db2.gz IPJBRNFRTBEYDE-KPKJPENVSA-N 0 0 474.469 5.576 40 5 JKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Br)cc1 ZINC000014071321 555679255 /nfs/dbraw/zinc/67/92/55/555679255.db2.gz RABRWYHFDFHCNV-UHFFFAOYSA-N 0 0 496.774 5.020 40 5 JKBBRN Brc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000010372575 555700575 /nfs/dbraw/zinc/70/05/75/555700575.db2.gz DZTIVJCFHWIKCA-UHFFFAOYSA-N 0 0 489.210 8.247 40 5 JKBBRN O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269548 555759490 /nfs/dbraw/zinc/75/94/90/555759490.db2.gz VQRINNPTFXZXFQ-UHFFFAOYSA-N 0 0 472.570 5.283 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc([N+](=O)[O-])c1 ZINC000014269792 555760339 /nfs/dbraw/zinc/76/03/39/555760339.db2.gz YYLCBUIQXHBYEP-RMKNXTFCSA-N 0 0 462.314 5.688 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000014269972 555760684 /nfs/dbraw/zinc/76/06/84/555760684.db2.gz LVDGEHCZNZYBFC-UHFFFAOYSA-N 0 0 466.302 5.297 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3s2)c1O ZINC000014270225 555761864 /nfs/dbraw/zinc/76/18/64/555761864.db2.gz VTYNFVHSHRTABG-UHFFFAOYSA-N 0 0 464.528 5.012 40 5 JKBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(C)c1 ZINC000014271127 555765255 /nfs/dbraw/zinc/76/52/55/555765255.db2.gz GEPPCCFLWPCUHU-UHFFFAOYSA-N 0 0 452.536 5.136 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccccc2)cc1 ZINC000011196576 555766010 /nfs/dbraw/zinc/76/60/10/555766010.db2.gz RCZHTKUKVBYCGR-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl ZINC000014271965 555768199 /nfs/dbraw/zinc/76/81/99/555768199.db2.gz UGOSEEIGOIODGX-XBXARRHUSA-N 0 0 455.257 5.757 40 5 JKBBRN Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000014272034 555768515 /nfs/dbraw/zinc/76/85/15/555768515.db2.gz FRQNINZMRBPHDC-UHFFFAOYSA-N 0 0 458.326 6.739 40 5 JKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000014272386 555769698 /nfs/dbraw/zinc/76/96/98/555769698.db2.gz OYMPKUZELVFQSA-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000014272722 555770804 /nfs/dbraw/zinc/77/08/04/555770804.db2.gz OKFMKQCKTNUZNU-UHFFFAOYSA-N 0 0 467.485 5.712 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)c(C)c1 ZINC000014272786 555771070 /nfs/dbraw/zinc/77/10/70/555771070.db2.gz UNHFGXXPFRCLJZ-UHFFFAOYSA-N 0 0 458.522 5.044 40 5 JKBBRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000014273959 555775369 /nfs/dbraw/zinc/77/53/69/555775369.db2.gz LVZAVGQVHLLKOD-UHFFFAOYSA-N 0 0 479.901 5.148 40 5 JKBBRN Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3cccc(Cl)c3Cl)o2)cccc1[N+](=O)[O-] ZINC000014274514 555777114 /nfs/dbraw/zinc/77/71/14/555777114.db2.gz VNLIDXFHRKUMMR-PKNBQFBNSA-N 0 0 476.341 5.996 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000014274583 555777315 /nfs/dbraw/zinc/77/73/15/555777315.db2.gz QZZQXFRIDPYJPL-XBXARRHUSA-N 0 0 480.304 5.827 40 5 JKBBRN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274752 555778002 /nfs/dbraw/zinc/77/80/02/555778002.db2.gz XOWQIPBTWQJIIY-UHFFFAOYSA-N 0 0 473.769 5.282 40 5 JKBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014274835 555778232 /nfs/dbraw/zinc/77/82/32/555778232.db2.gz LYQSLCDLQADLQG-UHFFFAOYSA-N 0 0 494.754 5.299 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014274986 555778900 /nfs/dbraw/zinc/77/89/00/555778900.db2.gz PVPZVTVQTGNNMT-QPJJXVBHSA-N 0 0 476.341 5.996 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2cccc(Cl)c2)o1 ZINC000014275242 555780109 /nfs/dbraw/zinc/78/01/09/555780109.db2.gz CRDVFLZGXULOIK-UHFFFAOYSA-N 0 0 480.727 5.398 40 5 JKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014275474 555780923 /nfs/dbraw/zinc/78/09/23/555780923.db2.gz HTFJNRCHSFFQJE-UHFFFAOYSA-N 0 0 499.508 5.493 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000014275539 555781199 /nfs/dbraw/zinc/78/11/99/555781199.db2.gz PQPHEBALBOKLQP-UHFFFAOYSA-N 0 0 490.541 5.662 40 5 JKBBRN CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000014275562 555781202 /nfs/dbraw/zinc/78/12/02/555781202.db2.gz XIORICFZGPMVKC-UHFFFAOYSA-N 0 0 490.541 5.545 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc(OCc2ccccc2)c1 ZINC000014275684 555781358 /nfs/dbraw/zinc/78/13/58/555781358.db2.gz GCSLLVRLLJICQX-UHFFFAOYSA-N 0 0 490.566 5.424 40 5 JKBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2cc1Cl ZINC000014275621 555781408 /nfs/dbraw/zinc/78/14/08/555781408.db2.gz ACBLXJYWJXNTFV-UHFFFAOYSA-N 0 0 490.010 5.283 40 5 JKBBRN O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014275990 555782583 /nfs/dbraw/zinc/78/25/83/555782583.db2.gz GKNNWTJOWHNYKQ-UHFFFAOYSA-N 0 0 486.903 5.384 40 5 JKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277493 555786030 /nfs/dbraw/zinc/78/60/30/555786030.db2.gz HGQRRAAQFHCGEC-UHFFFAOYSA-N 0 0 474.542 5.733 40 5 JKBBRN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277505 555786083 /nfs/dbraw/zinc/78/60/83/555786083.db2.gz YCJFMVLTRKAMKW-UHFFFAOYSA-N 0 0 478.961 6.377 40 5 JKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014277673 555786647 /nfs/dbraw/zinc/78/66/47/555786647.db2.gz WGAFHUKBZDYWNM-UHFFFAOYSA-N 0 0 475.913 7.037 40 5 JKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277665 555786672 /nfs/dbraw/zinc/78/66/72/555786672.db2.gz QEKDQHITBORGQB-UHFFFAOYSA-N 0 0 478.961 6.377 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277795 555786811 /nfs/dbraw/zinc/78/68/11/555786811.db2.gz IGSAKZMRTWVWQW-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020356930 555787235 /nfs/dbraw/zinc/78/72/35/555787235.db2.gz AYJIIOXURCCELN-UHFFFAOYSA-N 0 0 490.951 5.533 40 5 JKBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000020410848 555787811 /nfs/dbraw/zinc/78/78/11/555787811.db2.gz ASKZAROZFGNMBQ-UHFFFAOYSA-N 0 0 462.289 5.251 40 5 JKBBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014278168 555788008 /nfs/dbraw/zinc/78/80/08/555788008.db2.gz LCDSUOWSRSPANT-UHFFFAOYSA-N 0 0 484.331 5.895 40 5 JKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000020411497 555789003 /nfs/dbraw/zinc/78/90/03/555789003.db2.gz DICVZMOJQZPVRL-JLHYYAGUSA-N 0 0 491.525 6.073 40 5 JKBBRN O=C1C(=Cc2ccccc2[N+](=O)[O-])N[C@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000020470340 555791710 /nfs/dbraw/zinc/79/17/10/555791710.db2.gz AKMPZALAOLBPLF-YJXRAILPSA-N 0 0 485.283 5.486 40 5 JKBBRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000014291164 555792502 /nfs/dbraw/zinc/79/25/02/555792502.db2.gz CNVLHWNKSMSPBV-UHFFFAOYSA-N 0 0 496.951 5.065 40 5 JKBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000014404903 555807406 /nfs/dbraw/zinc/80/74/06/555807406.db2.gz OXXOWEQMXCMZGG-LFIBNONCSA-N 0 0 481.512 5.302 40 5 JKBBRN Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000014405189 555807699 /nfs/dbraw/zinc/80/76/99/555807699.db2.gz HNNGNTZGIWXQAH-FOCLMDBBSA-N 0 0 481.512 5.302 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000014413324 555812605 /nfs/dbraw/zinc/81/26/05/555812605.db2.gz NXCBSXQZDRGTHN-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000014413640 555812969 /nfs/dbraw/zinc/81/29/69/555812969.db2.gz MGJQVBCXXBCRMH-LYBHJNIJSA-N 0 0 452.535 6.925 40 5 JKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Br)cc2)c1 ZINC000014944054 555841449 /nfs/dbraw/zinc/84/14/49/555841449.db2.gz WSUBAFRGFYFVSD-JLHYYAGUSA-N 0 0 462.303 6.050 40 5 JKBBRN COc1cccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)c1 ZINC000021579223 555851861 /nfs/dbraw/zinc/85/18/61/555851861.db2.gz UXUCJCIGQOZWGF-UHFFFAOYSA-N 0 0 479.901 6.532 40 5 JKBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000021579254 555851866 /nfs/dbraw/zinc/85/18/66/555851866.db2.gz KWPNBFUWRJLFAW-UHFFFAOYSA-N 0 0 472.501 5.654 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5[nH]4)ccc3OC)o2)c([N+](=O)[O-])c1 ZINC000021580697 555852471 /nfs/dbraw/zinc/85/24/71/555852471.db2.gz NQUZSIRARDLVQS-UHFFFAOYSA-N 0 0 484.468 5.668 40 5 JKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000021580623 555852482 /nfs/dbraw/zinc/85/24/82/555852482.db2.gz LULKCLZPHXWIPH-NTCAYCPXSA-N 0 0 480.480 6.059 40 5 JKBBRN O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595689 555853582 /nfs/dbraw/zinc/85/35/82/555853582.db2.gz BILQLXYCRZRKBS-UHFFFAOYSA-N 0 0 467.869 5.588 40 5 JKBBRN Cc1c(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000015022723 555864382 /nfs/dbraw/zinc/86/43/82/555864382.db2.gz SDHFEMLRZYMYMM-DQSJHHFOSA-N 0 0 497.580 5.203 40 5 JKBBRN O=C(Oc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000015228167 555887817 /nfs/dbraw/zinc/88/78/17/555887817.db2.gz RUUOTWGDLWMEHE-UHFFFAOYSA-N 0 0 490.468 5.989 40 5 JKBBRN COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\c2ccccc2C)cc1OC ZINC000015276823 555892259 /nfs/dbraw/zinc/89/22/59/555892259.db2.gz NFQUPIQXBPZGHA-RQZHXJHFSA-N 0 0 475.570 5.926 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2ccc(Cn3c(-c4ccccc4)nnc3-c3ccccc3)cc2)c(Cl)c1 ZINC000015318921 555897233 /nfs/dbraw/zinc/89/72/33/555897233.db2.gz OCLWCNZHONOSCL-UHFFFAOYSA-N 0 0 482.927 7.014 40 5 JKBBRN CCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257604 555905329 /nfs/dbraw/zinc/90/53/29/555905329.db2.gz DLUQGXTYTATXOK-UHFFFAOYSA-N 0 0 479.320 5.078 40 5 JKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000022532665 555932421 /nfs/dbraw/zinc/93/24/21/555932421.db2.gz KWFJGTYBPULFOD-UHFFFAOYSA-N 0 0 451.866 5.934 40 5 JKBBRN Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000022537783 555934179 /nfs/dbraw/zinc/93/41/79/555934179.db2.gz MHTIYINWBDIBQV-JXMROGBWSA-N 0 0 455.923 5.651 40 5 JKBBRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)cc1I ZINC000022563410 555934853 /nfs/dbraw/zinc/93/48/53/555934853.db2.gz AZOZCMSWEVRFPX-GQCTYLIASA-N 0 0 456.667 5.122 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000022576320 555938671 /nfs/dbraw/zinc/93/86/71/555938671.db2.gz YRESQNUVIKGWFC-ONNFQVAWSA-N 0 0 465.893 5.067 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1C ZINC000022708176 555944805 /nfs/dbraw/zinc/94/48/05/555944805.db2.gz JVEPIXAGQRRSJG-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022712116 555945932 /nfs/dbraw/zinc/94/59/32/555945932.db2.gz HQSMPRAIYQEVFO-JLHYYAGUSA-N 0 0 475.936 5.977 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1Cl ZINC000022712273 555946286 /nfs/dbraw/zinc/94/62/86/555946286.db2.gz WRWRSWGFVFGUSH-RMKNXTFCSA-N 0 0 476.341 5.996 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022715470 555947143 /nfs/dbraw/zinc/94/71/43/555947143.db2.gz MHFYDJDEOOJMAS-UHFFFAOYSA-N 0 0 478.940 5.389 40 5 JKBBRN CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000012318970 555951177 /nfs/dbraw/zinc/95/11/77/555951177.db2.gz WKFVJEUYHNQGMM-REIDKSKDSA-N 0 0 467.518 5.252 40 5 JKBBRN COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1[N+](=O)[O-] ZINC000022753394 555953380 /nfs/dbraw/zinc/95/33/80/555953380.db2.gz BSQIZVBFCAZMKY-UHFFFAOYSA-N 0 0 494.554 5.021 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022757649 555954379 /nfs/dbraw/zinc/95/43/79/555954379.db2.gz UMSGLXIGHNNFEE-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Br)ccc1Cl ZINC000022758461 555954777 /nfs/dbraw/zinc/95/47/77/555954777.db2.gz JHOWIGAMTNDHEW-UHFFFAOYSA-N 0 0 497.783 5.261 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl ZINC000022819749 555955026 /nfs/dbraw/zinc/95/50/26/555955026.db2.gz YURDETHLQCFXCS-RMKNXTFCSA-N 0 0 498.973 5.953 40 5 JKBBRN Cc1nn(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c(C)c1[N+](=O)[O-] ZINC000012372199 555961913 /nfs/dbraw/zinc/96/19/13/555961913.db2.gz NKTFNPWRZPNVGT-UHFFFAOYSA-N 0 0 454.530 5.299 40 5 JKBBRN CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000012707585 556104129 /nfs/dbraw/zinc/10/41/29/556104129.db2.gz SLSMTOCWWMLYME-UHFFFAOYSA-N 0 0 465.307 5.190 40 5 JKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC000012834096 556116452 /nfs/dbraw/zinc/11/64/52/556116452.db2.gz QXWRLXLCKNTYNA-UHFFFAOYSA-N 0 0 492.491 5.519 40 5 JKBBRN COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000012844486 556117113 /nfs/dbraw/zinc/11/71/13/556117113.db2.gz KJTVRMFIVTURSH-LBPRGKRZSA-N 0 0 478.452 5.199 40 5 JKBBRN COc1ccc(Nc2nc(/C=C/c3ccccc3)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1 ZINC000016217173 556129858 /nfs/dbraw/zinc/12/98/58/556129858.db2.gz LHYQUIFQHYEKJV-CAOOACKPSA-N 0 0 469.501 6.060 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O ZINC000016282431 556132537 /nfs/dbraw/zinc/13/25/37/556132537.db2.gz NARYFJLOBWTZJM-UHFFFAOYSA-N 0 0 453.248 5.259 40 5 JKBBRN Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)nc2cc1Cl ZINC000016284264 556132707 /nfs/dbraw/zinc/13/27/07/556132707.db2.gz DSICIWKHEJLKGK-UHFFFAOYSA-N 0 0 485.772 5.056 40 5 JKBBRN COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-] ZINC000016284426 556132965 /nfs/dbraw/zinc/13/29/65/556132965.db2.gz YXPVNFHCIMRCFC-UHFFFAOYSA-N 0 0 453.458 5.051 40 5 JKBBRN O=C(CCSc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000024522308 556133370 /nfs/dbraw/zinc/13/33/70/556133370.db2.gz FGZPBZQKRVKYAJ-UHFFFAOYSA-N 0 0 464.934 5.979 40 5 JKBBRN CC(=O)Nc1ccc(Br)cc1C(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016321392 556134854 /nfs/dbraw/zinc/13/48/54/556134854.db2.gz ADSBSZAJQIGWRQ-UHFFFAOYSA-N 0 0 485.290 5.465 40 5 JKBBRN CC(=O)c1ccc(SCCCCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016321911 556135425 /nfs/dbraw/zinc/13/54/25/556135425.db2.gz ADTIBKJIRAJPPK-UHFFFAOYSA-N 0 0 476.576 6.353 40 5 JKBBRN Cc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1NC(=O)OCc1ccc([N+](=O)[O-])cc1 ZINC000016347544 556135989 /nfs/dbraw/zinc/13/59/89/556135989.db2.gz BQCLATSJMDLFCN-UHFFFAOYSA-N 0 0 480.433 5.309 40 5 JKBBRN Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2c1 ZINC000016348643 556136378 /nfs/dbraw/zinc/13/63/78/556136378.db2.gz NAVMODMJWWKRRX-UHFFFAOYSA-N 0 0 453.454 5.901 40 5 JKBBRN O=C(Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2cccc(Cl)c2)c1 ZINC000016398992 556137252 /nfs/dbraw/zinc/13/72/52/556137252.db2.gz PHUNNENDINMDDG-UHFFFAOYSA-N 0 0 460.277 6.190 40 5 JKBBRN O=[N+]([O-])c1ccc([C@@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccc(Cl)cc2)cc1 ZINC000016478045 556140039 /nfs/dbraw/zinc/14/00/39/556140039.db2.gz TWXFHGWLUBQADO-SANMLTNESA-N 0 0 454.917 6.635 40 5 JKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1 ZINC000016487867 556140630 /nfs/dbraw/zinc/14/06/30/556140630.db2.gz ZWENDLTYXXCZMZ-UHFFFAOYSA-N 0 0 457.511 5.366 40 5 JKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1Br ZINC000016491977 556141179 /nfs/dbraw/zinc/14/11/79/556141179.db2.gz TWPJBKUWMWRAGY-UHFFFAOYSA-N 0 0 480.343 6.400 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2ccc(COc3ccc(-c4cnc5ccccc5n4)cc3)cc2)c(Cl)c1 ZINC000016545606 556143068 /nfs/dbraw/zinc/14/30/68/556143068.db2.gz KOWNPLSOTSSLQS-UHFFFAOYSA-N 0 0 483.911 7.230 40 5 JKBBRN CC1(C)C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000016577730 556145492 /nfs/dbraw/zinc/14/54/92/556145492.db2.gz QASRUQBWIJSWCO-KOSHJBKYSA-N 0 0 498.540 5.031 40 5 JKBBRN CC1(C)C[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@](C)(CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000016577724 556145616 /nfs/dbraw/zinc/14/56/16/556145616.db2.gz QASRUQBWIJSWCO-HOYKHHGWSA-N 0 0 498.540 5.031 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1[N+](=O)[O-] ZINC000016610821 556146647 /nfs/dbraw/zinc/14/66/47/556146647.db2.gz IETZOBDZSHAQBN-MRXNPFEDSA-N 0 0 459.502 6.568 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 ZINC000016610768 556146665 /nfs/dbraw/zinc/14/66/65/556146665.db2.gz XDOGACSGHWBHGZ-AWEZNQCLSA-N 0 0 494.345 6.931 40 5 JKBBRN CCO[P@@]1(=O)C(c2ccc([N+](=O)[O-])cc2)=NN(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000016688044 556151813 /nfs/dbraw/zinc/15/18/13/556151813.db2.gz SIAZUKNREOTDBD-XSJBNIOMSA-N 0 0 480.417 5.741 40 5 JKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000016688597 556152483 /nfs/dbraw/zinc/15/24/83/556152483.db2.gz SKTZHPZNJZMAIH-FYJGNVAPSA-N 0 0 493.903 5.323 40 5 JKBBRN Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Sc2ccc([N+](=O)[O-])cc2)CS1 ZINC000016779178 556159186 /nfs/dbraw/zinc/15/91/86/556159186.db2.gz UOQVQXFGBAILGX-QUCCMNQESA-N 0 0 481.624 5.839 40 5 JKBBRN CCCC/C(Br)=C(\Br)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016951886 556183963 /nfs/dbraw/zinc/18/39/63/556183963.db2.gz QOICWSKPFGEAMF-BUHFOSPRSA-N 0 0 480.109 5.242 40 5 JKBBRN CC(C)(C)[C@@H]1CC[C@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253638 556248269 /nfs/dbraw/zinc/24/82/69/556248269.db2.gz DZQLBFSYEPOYJZ-NPWPFVJVSA-N 0 0 471.557 5.909 40 5 JKBBRN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c(O)c1S(=O)(=O)c1ccc(Cl)cc1 ZINC000026787011 556263302 /nfs/dbraw/zinc/26/33/02/556263302.db2.gz AFRARCWKNRXJGK-UHFFFAOYSA-N 0 0 488.949 5.471 40 5 JKBBRN Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000013086131 556285852 /nfs/dbraw/zinc/28/58/52/556285852.db2.gz UQKDWTUFJJQMQP-MRXNPFEDSA-N 0 0 470.623 6.079 40 5 JKBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)Nc1nc2c(s1)CCCC2 ZINC000013086142 556285873 /nfs/dbraw/zinc/28/58/73/556285873.db2.gz SMJBMTKANDXJDO-UHFFFAOYSA-N 0 0 463.613 5.459 40 5 JKBBRN C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@H](C)[C@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000013134061 556361296 /nfs/dbraw/zinc/36/12/96/556361296.db2.gz MFWWICBCDMOQEH-GEYWLOKFSA-N 0 0 480.590 5.421 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] ZINC000032112072 556421057 /nfs/dbraw/zinc/42/10/57/556421057.db2.gz ZMHRXOXYTZHGSL-UHFFFAOYSA-N 0 0 459.458 5.553 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] ZINC000032114924 556421832 /nfs/dbraw/zinc/42/18/32/556421832.db2.gz WOBZLDXIKVQMHT-UHFFFAOYSA-N 0 0 488.525 5.337 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115174 556422137 /nfs/dbraw/zinc/42/21/37/556422137.db2.gz ZIRDQRIEAGQRCD-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115379 556422512 /nfs/dbraw/zinc/42/25/12/556422512.db2.gz RJZAHSDTIRZZOS-UHFFFAOYSA-N 0 0 459.792 5.352 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1Br ZINC000032115632 556423001 /nfs/dbraw/zinc/42/30/01/556423001.db2.gz PCSMSNOAAHOQPB-UHFFFAOYSA-N 0 0 468.263 5.426 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)ccc3o2)cc1C ZINC000032116610 556424547 /nfs/dbraw/zinc/42/45/47/556424547.db2.gz LLPVTEMVONJULW-UHFFFAOYSA-N 0 0 466.291 6.035 40 5 JKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)C=Cc3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000032119145 556426052 /nfs/dbraw/zinc/42/60/52/556426052.db2.gz GOXADVANWSXGSH-JXMROGBWSA-N 0 0 474.995 5.727 40 5 JKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Br)sc2c1 ZINC000032119191 556426054 /nfs/dbraw/zinc/42/60/54/556426054.db2.gz WCKRGTSTZVXOKI-UHFFFAOYSA-N 0 0 493.408 5.436 40 5 JKBBRN CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O ZINC000032124717 556427692 /nfs/dbraw/zinc/42/76/92/556427692.db2.gz YXDBSQGEDSTOPE-GEYIUBJWSA-N 0 0 486.571 5.432 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124905 556428126 /nfs/dbraw/zinc/42/81/26/556428126.db2.gz YVWQBULSUWPIOY-XKZIYDEJSA-N 0 0 496.997 6.944 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124903 556428170 /nfs/dbraw/zinc/42/81/70/556428170.db2.gz CWZNJKAHJHLRAL-KQWNVCNZSA-N 0 0 476.579 6.333 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000032125134 556428794 /nfs/dbraw/zinc/42/87/94/556428794.db2.gz JEUAGCMVNSWWCS-OAHLLOKOSA-N 0 0 493.947 7.221 40 5 JKBBRN COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl ZINC000032126499 556430479 /nfs/dbraw/zinc/43/04/79/556430479.db2.gz CEGSTOJNGSZFBI-UHFFFAOYSA-N 0 0 488.934 5.253 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCOCC1)/C(=C\COc1ccc3ccccc3c1Br)O2 ZINC000032931800 556546938 /nfs/dbraw/zinc/54/69/38/556546938.db2.gz ZTMQNHWQGYRVGS-WJVILSIQSA-N 0 0 497.345 5.239 40 5 JKBBRN CCc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1 ZINC000057312836 569596335 /nfs/dbraw/zinc/59/63/35/569596335.db2.gz AGRHOKQIVVAKTR-UHFFFAOYSA-N 0 0 477.929 7.086 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 ZINC000057313011 569596432 /nfs/dbraw/zinc/59/64/32/569596432.db2.gz QDYHMXYSKUWNKH-UHFFFAOYSA-N 0 0 472.570 6.360 40 5 JKBBRN CCOC(=O)c1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000057312888 569596483 /nfs/dbraw/zinc/59/64/83/569596483.db2.gz BDCJPSUWDNZRJW-UHFFFAOYSA-N 0 0 471.579 5.200 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000057313372 569596565 /nfs/dbraw/zinc/59/65/65/569596565.db2.gz VTWGFEWSYSOMPG-UXBLZVDNSA-N 0 0 460.298 6.423 40 5 JKBBRN Cc1nnc2sc(-c3ccc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12 ZINC000057314084 569596827 /nfs/dbraw/zinc/59/68/27/569596827.db2.gz XPHLWCCOYVXFAH-UHFFFAOYSA-N 0 0 484.950 5.498 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1C ZINC000057313904 569596854 /nfs/dbraw/zinc/59/68/54/569596854.db2.gz LVOXNYOLLOGDCD-UHFFFAOYSA-N 0 0 477.929 7.140 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5o4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057315662 569597122 /nfs/dbraw/zinc/59/71/22/569597122.db2.gz HEYCMIDGKXPSBX-UHFFFAOYSA-N 0 0 490.947 6.545 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccccc1I ZINC000057315717 569597284 /nfs/dbraw/zinc/59/72/84/569597284.db2.gz DSVJREIUHQFVPB-ZRDIBKRKSA-N 0 0 460.227 5.111 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccnc5)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000057316194 569597475 /nfs/dbraw/zinc/59/74/75/569597475.db2.gz YZEKNTVQDKDEJO-UHFFFAOYSA-N 0 0 457.490 5.287 40 5 JKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000057317005 569598239 /nfs/dbraw/zinc/59/82/39/569598239.db2.gz CRLLYMHPWMWWSW-UHFFFAOYSA-N 0 0 467.275 5.807 40 5 JKBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000059294292 569602423 /nfs/dbraw/zinc/60/24/23/569602423.db2.gz CSIOCEIIFBIPHC-UHFFFAOYSA-N 0 0 471.517 5.595 40 5 JKBBRN Cc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(C)c3)nn12 ZINC000059294197 569602487 /nfs/dbraw/zinc/60/24/87/569602487.db2.gz OREGZCKNPJYPTB-FMIVXFBMSA-N 0 0 486.513 5.290 40 5 JKBBRN COc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 ZINC000059294365 569602500 /nfs/dbraw/zinc/60/25/00/569602500.db2.gz ARHKGXXLSQSVMG-SDNWHVSQSA-N 0 0 481.464 6.324 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000059294428 569602516 /nfs/dbraw/zinc/60/25/16/569602516.db2.gz ZWLGGVPBGBCVMT-WYMLVPIESA-N 0 0 459.483 5.821 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5Cl)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000059294316 569602530 /nfs/dbraw/zinc/60/25/30/569602530.db2.gz WLOIMPOQACLXFS-UHFFFAOYSA-N 0 0 490.947 6.545 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000059418226 569603108 /nfs/dbraw/zinc/60/31/08/569603108.db2.gz ATRXZYFZHANRHL-GIJQJNRQSA-N 0 0 495.727 7.056 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059459246 569604092 /nfs/dbraw/zinc/60/40/92/569604092.db2.gz HEOUBEJMEXLVMX-UHFFFAOYSA-N 0 0 450.800 6.098 40 5 JKBBRN O=C1S/C(=C\c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000059459839 569604244 /nfs/dbraw/zinc/60/42/44/569604244.db2.gz DQMYMPSCZGJAIJ-JAIQZWGSSA-N 0 0 497.872 6.190 40 5 JKBBRN COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463639 569604300 /nfs/dbraw/zinc/60/43/00/569604300.db2.gz MGKDLAWSTMOXRP-UHFFFAOYSA-N 0 0 459.527 6.263 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463602 569604340 /nfs/dbraw/zinc/60/43/40/569604340.db2.gz RWAAUHVVLPEKAY-UHFFFAOYSA-N 0 0 494.370 6.709 40 5 JKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)Nc1ccccc1[N+](=O)[O-] ZINC000059474803 569604498 /nfs/dbraw/zinc/60/44/98/569604498.db2.gz LFJURHIPNIMKEG-UHFFFAOYSA-N 0 0 498.973 5.841 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4)sc3c2)cc1 ZINC000059474821 569604509 /nfs/dbraw/zinc/60/45/09/569604509.db2.gz SQBWOZRVACXTCD-UHFFFAOYSA-N 0 0 478.555 5.496 40 5 JKBBRN CCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000033386961 569625512 /nfs/dbraw/zinc/62/55/12/569625512.db2.gz CKCHBKPDSZTTTA-UHFFFAOYSA-N 0 0 471.307 5.587 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 ZINC000033794141 569635327 /nfs/dbraw/zinc/63/53/27/569635327.db2.gz VHUNIIHMZMTLAH-UHFFFAOYSA-N 0 0 456.332 5.252 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl ZINC000033571693 569628104 /nfs/dbraw/zinc/62/81/04/569628104.db2.gz XGIUALYYLZLZDC-LBPRGKRZSA-N 0 0 480.377 5.296 40 5 JKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000033653067 569629645 /nfs/dbraw/zinc/62/96/45/569629645.db2.gz PHBHKDDTKKXHMA-UHFFFAOYSA-N 0 0 450.834 5.039 40 5 JKBBRN O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033697318 569630939 /nfs/dbraw/zinc/63/09/39/569630939.db2.gz FRSFJCAVZAODHI-UHFFFAOYSA-N 0 0 484.965 5.625 40 5 JKBBRN CC(C)C[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000033747490 569633413 /nfs/dbraw/zinc/63/34/13/569633413.db2.gz PUNZJXHBOPCVSE-LJQANCHMSA-N 0 0 473.986 5.186 40 5 JKBBRN O=C1[C@@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000033926910 569637717 /nfs/dbraw/zinc/63/77/17/569637717.db2.gz CACWZHSYVDZDDS-YVHASNINSA-N 0 0 493.519 6.025 40 5 JKBBRN O=C1[C@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000033926908 569637759 /nfs/dbraw/zinc/63/77/59/569637759.db2.gz CACWZHSYVDZDDS-KXSOJQAOSA-N 0 0 493.519 6.025 40 5 JKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034689718 569645757 /nfs/dbraw/zinc/64/57/57/569645757.db2.gz OHENISPTIOXIMI-UHFFFAOYSA-N 0 0 492.538 5.295 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br ZINC000034746989 569655704 /nfs/dbraw/zinc/65/57/04/569655704.db2.gz RBCKTPRKINSRTD-UHFFFAOYSA-N 0 0 460.309 5.053 40 5 JKBBRN O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000034967741 569673717 /nfs/dbraw/zinc/67/37/17/569673717.db2.gz ADYGEDLKLUOIEB-UHFFFAOYSA-N 0 0 468.634 5.365 40 5 JKBBRN COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1Br ZINC000034967302 569673748 /nfs/dbraw/zinc/67/37/48/569673748.db2.gz BOEPHPKXUHVTPH-UHFFFAOYSA-N 0 0 468.716 5.395 40 5 JKBBRN O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000035131983 569675534 /nfs/dbraw/zinc/67/55/34/569675534.db2.gz HFXARVSTCOXOBQ-UHFFFAOYSA-N 0 0 479.901 5.148 40 5 JKBBRN C[C@@H](NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000035200738 569678155 /nfs/dbraw/zinc/67/81/55/569678155.db2.gz RATGRQCAHPTIEE-ZJRYTYELSA-N 0 0 453.564 5.064 40 5 JKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000035271991 569679317 /nfs/dbraw/zinc/67/93/17/569679317.db2.gz MESSPBOMVMRETQ-UHFFFAOYSA-N 0 0 489.340 5.281 40 5 JKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035401622 569690977 /nfs/dbraw/zinc/69/09/77/569690977.db2.gz AIYYCWLCCNNDQA-UHFFFAOYSA-N 0 0 486.509 5.234 40 5 JKBBRN C[C@@]12C3=CC=C1C=C(C1=CC4=CC=C5C=CC=C6C=CC(=C1)[C@@]6(C)[C@@]54C)C=C1C=CC(=CC=C3)[C@]12C ZINC000068568380 569691252 /nfs/dbraw/zinc/69/12/52/569691252.db2.gz RYWSNCXNRIKLDP-IHAKKMGISA-N 0 0 462.636 8.609 40 5 JKBBRN O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000068563800 569691268 /nfs/dbraw/zinc/69/12/68/569691268.db2.gz URGMBQVUUXIRBK-FIFLTTCUSA-N 0 0 462.374 5.660 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000072229928 569700743 /nfs/dbraw/zinc/70/07/43/569700743.db2.gz IAQAOZNZGOLMEO-DEOSSOPVSA-N 0 0 462.889 6.151 40 5 JKBBRN CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)CC1 ZINC000072230007 569700773 /nfs/dbraw/zinc/70/07/73/569700773.db2.gz TYJHSUVKOFQYHD-RUZDIDTESA-N 0 0 479.964 5.819 40 5 JKBBRN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)S1 ZINC000083311694 569708499 /nfs/dbraw/zinc/70/84/99/569708499.db2.gz CFHPCJJKAHMYTK-XQNSMLJCSA-N 0 0 467.506 6.043 40 5 JKBBRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000035829933 569713239 /nfs/dbraw/zinc/71/32/39/569713239.db2.gz JPCDTXWJEMQXSW-OCBJUFRSSA-N 0 0 484.555 6.353 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000035851852 569716754 /nfs/dbraw/zinc/71/67/54/569716754.db2.gz QEKIEKMHKQUNFP-CDILPITASA-N 0 0 499.592 5.030 40 5 JKBBRN CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3cc4ccccc4cc32)cc1 ZINC000090765480 569721352 /nfs/dbraw/zinc/72/13/52/569721352.db2.gz ZVYVRXAIGFRABK-UHFFFAOYSA-N 0 0 492.706 11.075 40 5 JKBBRN CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccc([N+](=O)[O-])cc4)N32)cc1 ZINC000095101142 569721692 /nfs/dbraw/zinc/72/16/92/569721692.db2.gz KGEYAYVLHDNGOM-KKQPZGKBSA-N 0 0 457.530 5.593 40 5 JKBBRN C[C@@H]1[C@@H](C)CCC[C@@H]1n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n([C@@H]1CCC[C@H](C)[C@@H]1C)c3=O ZINC000036019147 569749642 /nfs/dbraw/zinc/74/96/42/569749642.db2.gz AASLOMJBKLCZLF-KFPUCIBNSA-N 0 0 486.612 5.060 40 5 JKBBRN O=[N+]([O-])c1ccc2nc3c(nc2c1)O[C@@H](c1c[nH]c2ccc(COc4ccccc4)cc21)C3O ZINC000100134564 569753579 /nfs/dbraw/zinc/75/35/79/569753579.db2.gz WGJXIOWPAXJFGE-DEOSSOPVSA-N 0 0 454.442 5.652 40 5 in-vitro JKBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000036092250 569756793 /nfs/dbraw/zinc/75/67/93/569756793.db2.gz GPVZYVBVGISIJK-NAYIZHHVSA-N 0 0 482.492 5.278 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000036316832 569763260 /nfs/dbraw/zinc/76/32/60/569763260.db2.gz DCAZCKMMEAPQGQ-XVOBZGQLSA-N 0 0 499.592 5.030 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000037073939 569781299 /nfs/dbraw/zinc/78/12/99/569781299.db2.gz CRYDTGWOULSLPD-HCNQUQSVSA-N 0 0 460.961 7.124 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000037073941 569781339 /nfs/dbraw/zinc/78/13/39/569781339.db2.gz CRYDTGWOULSLPD-WAGMSWJSSA-N 0 0 460.961 7.124 40 5 JKBBRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000039389019 569809658 /nfs/dbraw/zinc/80/96/58/569809658.db2.gz NRMQZUKKOBNRNF-GOSISDBHSA-N 0 0 491.613 6.620 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000039743639 569811253 /nfs/dbraw/zinc/81/12/53/569811253.db2.gz SQNRRFGFNNQWNY-UHFFFAOYSA-N 0 0 495.520 5.771 40 5 JKBBRN O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000039761023 569811602 /nfs/dbraw/zinc/81/16/02/569811602.db2.gz WOTRUJDPMKKKNI-VAWYXSNFSA-N 0 0 477.527 5.079 40 5 JKBBRN Cc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl ZINC000103764522 569837887 /nfs/dbraw/zinc/83/78/87/569837887.db2.gz KGKGVLITHHMVCX-HSZRJFAPSA-N 0 0 468.340 6.602 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000105346134 569852849 /nfs/dbraw/zinc/85/28/49/569852849.db2.gz QEKIEKMHKQUNFP-KALPRAJFSA-N 0 0 499.592 5.030 40 5 JKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000105576358 569853190 /nfs/dbraw/zinc/85/31/90/569853190.db2.gz KMQRNRKGXBCUCE-UHFFFAOYSA-N 0 0 491.441 5.454 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724092 569855110 /nfs/dbraw/zinc/85/51/10/569855110.db2.gz PGYGXWCKFZTYQX-NVNXTCNLSA-N 0 0 453.701 5.247 40 5 JKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106686378 569854580 /nfs/dbraw/zinc/85/45/80/569854580.db2.gz SMILLMQURQUUDF-ODLFYWEKSA-N 0 0 467.890 5.672 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106706919 569854925 /nfs/dbraw/zinc/85/49/25/569854925.db2.gz SSDXBFFJACYNIF-BKUYFWCQSA-N 0 0 477.498 5.336 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1cccc2ccccc21 ZINC000106720505 569855079 /nfs/dbraw/zinc/85/50/79/569855079.db2.gz ZYPHGTXZFWXIKE-QQXSKIMKSA-N 0 0 496.544 6.564 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727367 569855225 /nfs/dbraw/zinc/85/52/25/569855225.db2.gz UEZBTPFMNVTJOL-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106733645 569855302 /nfs/dbraw/zinc/85/53/02/569855302.db2.gz RJXDKSHECAOIOR-CHHVJCJISA-N 0 0 471.691 5.386 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000106737665 569855311 /nfs/dbraw/zinc/85/53/11/569855311.db2.gz LZRTZQOYBZLSGS-XFQLMFQHSA-N 0 0 487.704 5.520 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739294 569855319 /nfs/dbraw/zinc/85/53/19/569855319.db2.gz OSMUSTGRSBGGDJ-UUYOSTAYSA-N 0 0 498.919 6.203 40 5 JKBBRN CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000106739148 569855340 /nfs/dbraw/zinc/85/53/40/569855340.db2.gz YTKLVVIJZNOVOD-UHFFFAOYSA-N 0 0 465.531 6.499 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl ZINC000106740853 569855396 /nfs/dbraw/zinc/85/53/96/569855396.db2.gz FEZJJDXCVKVYTC-WCSRMQSCSA-N 0 0 461.685 5.931 40 5 JKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106740198 569855408 /nfs/dbraw/zinc/85/54/08/569855408.db2.gz OFZKWIFZQAGKJL-GRSHGNNSSA-N 0 0 485.880 5.811 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c(Br)c1 ZINC000106743394 569855432 /nfs/dbraw/zinc/85/54/32/569855432.db2.gz SLTZQKIHHRNAAR-JAIQZWGSSA-N 0 0 499.342 6.162 40 5 JKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)sc2c1 ZINC000107634067 569856791 /nfs/dbraw/zinc/85/67/91/569856791.db2.gz MBCAXHXGQQUKPN-UHFFFAOYSA-N 0 0 455.495 6.692 40 5 JKBBRN COc1ccc(C(=O)Oc2c(Br)cc(Br)cc2/C=C(\C)[N+](=O)[O-])cc1 ZINC000107825947 569857516 /nfs/dbraw/zinc/85/75/16/569857516.db2.gz DCCPHBFPHAEYMX-JXMROGBWSA-N 0 0 471.101 5.077 40 5 JKBBRN Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107831117 569857631 /nfs/dbraw/zinc/85/76/31/569857631.db2.gz LDLJBWWWWZPUBD-UHFFFAOYSA-N 0 0 460.309 5.053 40 5 JKBBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 ZINC000107994355 569858220 /nfs/dbraw/zinc/85/82/20/569858220.db2.gz OBGZRDAOBRSWEV-UHFFFAOYSA-N 0 0 489.985 5.118 40 5 JKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 ZINC000108203073 569859050 /nfs/dbraw/zinc/85/90/50/569859050.db2.gz BTIQICRIGUITTF-UHFFFAOYSA-N 0 0 480.527 5.114 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000113834102 569862111 /nfs/dbraw/zinc/86/21/11/569862111.db2.gz HKVLBNUFXYDQNH-HYARGMPZSA-N 0 0 462.483 5.423 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123228894 569864266 /nfs/dbraw/zinc/86/42/66/569864266.db2.gz JQQAXXNZGKFEGG-OYYOEVTJSA-N 0 0 468.122 7.085 40 5 JKBBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H]([N+](=O)[O-])[C@H]2C1 ZINC000123235512 569864275 /nfs/dbraw/zinc/86/42/75/569864275.db2.gz LKHJDALEYCAKSL-KPNCCWIZSA-N 0 0 475.714 7.295 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000138524501 569865896 /nfs/dbraw/zinc/86/58/96/569865896.db2.gz HRRDTPYGCKINRA-FKCWEYQYSA-N 0 0 491.503 5.296 40 5 JKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000138677157 569866214 /nfs/dbraw/zinc/86/62/14/569866214.db2.gz IICAVMFXQVATMD-HCLVMJGWSA-N 0 0 482.533 5.008 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000205662982 569874041 /nfs/dbraw/zinc/87/40/41/569874041.db2.gz LOCUKSUMIQQNAI-WSDLNYQXSA-N 0 0 498.919 6.203 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000205663057 569874047 /nfs/dbraw/zinc/87/40/47/569874047.db2.gz STJHTTODJSTSLX-WSDLNYQXSA-N 0 0 498.919 6.203 40 5 JKBBRN CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000205679094 569874079 /nfs/dbraw/zinc/87/40/79/569874079.db2.gz LOQHUPJRKHDQNE-LICLKQGHSA-N 0 0 493.335 5.001 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)CC ZINC000205702774 569874162 /nfs/dbraw/zinc/87/41/62/569874162.db2.gz JOEWMMBQOMJKFX-PCXKXAPESA-N 0 0 456.520 5.407 40 5 JKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000214046617 569876251 /nfs/dbraw/zinc/87/62/51/569876251.db2.gz BJTZUPPAYMKCIB-CIAFOILYSA-N 0 0 477.454 5.532 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214098259 569876333 /nfs/dbraw/zinc/87/63/33/569876333.db2.gz COGWGFSDBQLQCH-SRZZPIQSSA-N 0 0 468.918 6.362 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000214135176 569876406 /nfs/dbraw/zinc/87/64/06/569876406.db2.gz KQXXSVAQNKCWBU-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 ZINC000214248500 569876524 /nfs/dbraw/zinc/87/65/24/569876524.db2.gz URMLDIQMUFGHES-RGVLZGJSSA-N 0 0 454.435 5.239 40 5 JKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1F ZINC000214324880 569876527 /nfs/dbraw/zinc/87/65/27/569876527.db2.gz DORWRKSZOICRHF-SRZZPIQSSA-N 0 0 495.444 5.671 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214449323 569876692 /nfs/dbraw/zinc/87/66/92/569876692.db2.gz DXAMWVJREUOPBT-CIAFOILYSA-N 0 0 477.498 5.147 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214587858 569876758 /nfs/dbraw/zinc/87/67/58/569876758.db2.gz SMCRXAHUMPGOBG-ZVHZXABRSA-N 0 0 490.537 5.727 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 ZINC000214614277 569876822 /nfs/dbraw/zinc/87/68/22/569876822.db2.gz LFIZEIVAKYPOGT-RGVLZGJSSA-N 0 0 499.342 6.162 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214788606 569876995 /nfs/dbraw/zinc/87/69/95/569876995.db2.gz OSPXARSWMKCBMD-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214880882 569877043 /nfs/dbraw/zinc/87/70/43/569877043.db2.gz LZNPCFCCKSFQRL-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214902562 569877075 /nfs/dbraw/zinc/87/70/75/569877075.db2.gz VXROFQTWUVHHDF-YBFXNURJSA-N 0 0 474.416 6.110 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215028308 569877100 /nfs/dbraw/zinc/87/71/00/569877100.db2.gz JZCJMMVGHRLZAK-WGOQTCKBSA-N 0 0 496.544 6.564 40 5 JKBBRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1 ZINC000215012261 569877116 /nfs/dbraw/zinc/87/71/16/569877116.db2.gz DMPFHJTVWQUHEH-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1OC ZINC000215007362 569877127 /nfs/dbraw/zinc/87/71/27/569877127.db2.gz OEVJIIHSAOOWFQ-LICLKQGHSA-N 0 0 493.335 5.001 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1[N+](=O)[O-] ZINC000214996331 569877141 /nfs/dbraw/zinc/87/71/41/569877141.db2.gz MPHWAABKEJVFKG-RGVLZGJSSA-N 0 0 465.443 5.308 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Br ZINC000215095482 569877169 /nfs/dbraw/zinc/87/71/69/569877169.db2.gz JNJOXQHXLWXHDX-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)cc1[N+](=O)[O-] ZINC000215054999 569877196 /nfs/dbraw/zinc/87/71/96/569877196.db2.gz PHQZRDCKZBJPGU-RGVLZGJSSA-N 0 0 499.342 6.162 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000215114522 569877204 /nfs/dbraw/zinc/87/72/04/569877204.db2.gz AEJKXRYMIATSRV-KEBDBYFISA-N 0 0 488.880 5.892 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1Cl ZINC000215146760 569877205 /nfs/dbraw/zinc/87/72/05/569877205.db2.gz LCASPMJWEMQAGQ-RGVLZGJSSA-N 0 0 471.897 5.474 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215138917 569877207 /nfs/dbraw/zinc/87/72/07/569877207.db2.gz SICKGWNRKPDPQE-DJKKODMXSA-N 0 0 493.299 6.537 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1 ZINC000215121327 569877212 /nfs/dbraw/zinc/87/72/12/569877212.db2.gz DABDSNVKBQHUHW-KEBDBYFISA-N 0 0 488.880 5.892 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215120866 569877213 /nfs/dbraw/zinc/87/72/13/569877213.db2.gz JVLFJYKMUXDSMA-DJKKODMXSA-N 0 0 493.299 6.537 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000215129696 569877215 /nfs/dbraw/zinc/87/72/15/569877215.db2.gz GWAGFZSSOMZLDK-UFFVCSGVSA-N 0 0 486.908 6.501 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215138367 569877239 /nfs/dbraw/zinc/87/72/39/569877239.db2.gz JDOPXTNEZBXCEH-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215116260 569877241 /nfs/dbraw/zinc/87/72/41/569877241.db2.gz DAOHEBWIPCEYIO-SSDVNMTOSA-N 0 0 498.919 6.203 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000216380094 569878627 /nfs/dbraw/zinc/87/86/27/569878627.db2.gz RHCUVGKXLOSDKW-UHFFFAOYSA-N 0 0 477.586 6.017 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223320884 569907439 /nfs/dbraw/zinc/90/74/39/569907439.db2.gz QXHJMBPTBVCNBY-AMGIVPHBSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223365140 569908974 /nfs/dbraw/zinc/90/89/74/569908974.db2.gz DWSZQXMDQHVEHF-GOTSBHOMSA-N 0 0 476.514 5.024 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223365104 569908978 /nfs/dbraw/zinc/90/89/78/569908978.db2.gz DWSZQXMDQHVEHF-XZOQPEGZSA-N 0 0 476.514 5.024 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223377050 569909312 /nfs/dbraw/zinc/90/93/12/569909312.db2.gz UYWISHQMMANCGH-AJTFRIOCSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223403408 569910048 /nfs/dbraw/zinc/91/00/48/569910048.db2.gz IVBFWPNYAXUHGV-DQEYMECFSA-N 0 0 486.553 5.431 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223433591 569911277 /nfs/dbraw/zinc/91/12/77/569911277.db2.gz YJDLXXSJXAJMPE-CUNXSJBXSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223775474 569922915 /nfs/dbraw/zinc/92/29/15/569922915.db2.gz CEXZLTMSIDJENG-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223775418 569922929 /nfs/dbraw/zinc/92/29/29/569922929.db2.gz CEXZLTMSIDJENG-ZEQRLZLVSA-N 0 0 472.526 5.436 40 5 JKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223796786 569923668 /nfs/dbraw/zinc/92/36/68/569923668.db2.gz JLXWCHFIZUCKIU-QFIPXVFZSA-N 0 0 492.041 5.205 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223877210 569925909 /nfs/dbraw/zinc/92/59/09/569925909.db2.gz HNQVGNOZMFMGIX-ZEQRLZLVSA-N 0 0 488.525 5.141 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223880925 569926084 /nfs/dbraw/zinc/92/60/84/569926084.db2.gz VQCYRGUTTFWNHL-XZOQPEGZSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881250 569926125 /nfs/dbraw/zinc/92/61/25/569926125.db2.gz XLPRHRMBLZTBNF-GOTSBHOMSA-N 0 0 458.499 5.133 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223908507 569926911 /nfs/dbraw/zinc/92/69/11/569926911.db2.gz MSNCLIWOUGEEPQ-JWQCQUIFSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223911323 569927010 /nfs/dbraw/zinc/92/70/10/569927010.db2.gz NJRJIWMBYGOTBH-DQEYMECFSA-N 0 0 485.569 5.493 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223911426 569927012 /nfs/dbraw/zinc/92/70/12/569927012.db2.gz NJRJIWMBYGOTBH-LOSJGSFVSA-N 0 0 485.569 5.493 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223911377 569927052 /nfs/dbraw/zinc/92/70/52/569927052.db2.gz NJRJIWMBYGOTBH-RPBOFIJWSA-N 0 0 485.569 5.493 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223997886 569929883 /nfs/dbraw/zinc/92/98/83/569929883.db2.gz DZWXDGJSYPPNNT-LOSJGSFVSA-N 0 0 499.552 5.385 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224029227 569931164 /nfs/dbraw/zinc/93/11/64/569931164.db2.gz VJGFKFHTMVGEMB-ZEQRLZLVSA-N 0 0 486.509 5.156 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 ZINC000224037211 569931410 /nfs/dbraw/zinc/93/14/10/569931410.db2.gz QTALHFGZEVBEKP-BJKOFHAPSA-N 0 0 486.509 5.156 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 ZINC000224251536 569938116 /nfs/dbraw/zinc/93/81/16/569938116.db2.gz KUFDBGXVEATMFB-LOSJGSFVSA-N 0 0 486.553 5.744 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)o1 ZINC000224251502 569938149 /nfs/dbraw/zinc/93/81/49/569938149.db2.gz KUFDBGXVEATMFB-RPBOFIJWSA-N 0 0 486.553 5.744 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224254636 569938218 /nfs/dbraw/zinc/93/82/18/569938218.db2.gz XHDPJYUSXLJISX-BJKOFHAPSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224254889 569938236 /nfs/dbraw/zinc/93/82/36/569938236.db2.gz FPBYXGRFAZPVDA-DNQXCXABSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224254838 569938246 /nfs/dbraw/zinc/93/82/46/569938246.db2.gz FPBYXGRFAZPVDA-BJKOFHAPSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000224278661 569939047 /nfs/dbraw/zinc/93/90/47/569939047.db2.gz AYNZWEIUJWPMOS-RPBOFIJWSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000224280810 569939104 /nfs/dbraw/zinc/93/91/04/569939104.db2.gz JTNGBWNXIIYFGK-DQEYMECFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1C ZINC000224287132 569939385 /nfs/dbraw/zinc/93/93/85/569939385.db2.gz QGKVLXLVJCSINW-DQEYMECFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1C ZINC000224287383 569939418 /nfs/dbraw/zinc/93/94/18/569939418.db2.gz CMSHGVYFKWFLKV-RPBOFIJWSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224313276 569940087 /nfs/dbraw/zinc/94/00/87/569940087.db2.gz MCBNOXOFFGSRNE-JWQCQUIFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224313409 569940119 /nfs/dbraw/zinc/94/01/19/569940119.db2.gz ZXIFVDIUMLWPBV-LOSJGSFVSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000224313331 569940169 /nfs/dbraw/zinc/94/01/69/569940169.db2.gz ZXIFVDIUMLWPBV-DQEYMECFSA-N 0 0 469.570 5.574 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224378177 569942529 /nfs/dbraw/zinc/94/25/29/569942529.db2.gz KSSRULBACFGCLS-IZZNHLLZSA-N 0 0 483.597 6.081 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224387055 569942852 /nfs/dbraw/zinc/94/28/52/569942852.db2.gz AECILSYTIXBVES-CLJLJLNGSA-N 0 0 484.581 6.550 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224409584 569943650 /nfs/dbraw/zinc/94/36/50/569943650.db2.gz FIGJZTWEVLKYGI-XZOQPEGZSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224409689 569943768 /nfs/dbraw/zinc/94/37/68/569943768.db2.gz NWJABVQZOFLTJB-DHIUTWEWSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 ZINC000224409634 569943776 /nfs/dbraw/zinc/94/37/76/569943776.db2.gz FIGJZTWEVLKYGI-GOTSBHOMSA-N 0 0 459.506 5.097 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 ZINC000224448702 569944822 /nfs/dbraw/zinc/94/48/22/569944822.db2.gz PWZJZUQEHYEZHG-BJKOFHAPSA-N 0 0 490.516 5.575 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 ZINC000224451954 569944930 /nfs/dbraw/zinc/94/49/30/569944930.db2.gz DOFCKHUAGXIUCN-PKTZIBPZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 ZINC000224451988 569944956 /nfs/dbraw/zinc/94/49/56/569944956.db2.gz DOFCKHUAGXIUCN-XZOQPEGZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224474526 569945532 /nfs/dbraw/zinc/94/55/32/569945532.db2.gz CBHWADYYDBILOF-XZOQPEGZSA-N 0 0 475.961 5.611 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 ZINC000224474493 569945535 /nfs/dbraw/zinc/94/55/35/569945535.db2.gz CBHWADYYDBILOF-PKTZIBPZSA-N 0 0 475.961 5.611 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224476593 569945660 /nfs/dbraw/zinc/94/56/60/569945660.db2.gz ILHNYAWJOONRCL-DHIUTWEWSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)o1 ZINC000224476633 569945667 /nfs/dbraw/zinc/94/56/67/569945667.db2.gz ILHNYAWJOONRCL-PKTZIBPZSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 ZINC000224482632 569945899 /nfs/dbraw/zinc/94/58/99/569945899.db2.gz NCRIPZPOVUDLAS-PKTZIBPZSA-N 0 0 476.945 6.080 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224526826 569947227 /nfs/dbraw/zinc/94/72/27/569947227.db2.gz RMPRBFIYPMSKGB-UHFFFAOYSA-N 0 0 462.546 6.431 40 5 JKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224552750 569948166 /nfs/dbraw/zinc/94/81/66/569948166.db2.gz KDOHOVVJRCRNMM-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224552701 569948179 /nfs/dbraw/zinc/94/81/79/569948179.db2.gz KDOHOVVJRCRNMM-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000224589157 569949682 /nfs/dbraw/zinc/94/96/82/569949682.db2.gz XQYYIDLTBTXCAW-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224705261 569954250 /nfs/dbraw/zinc/95/42/50/569954250.db2.gz YOWJHMOUJZKLMR-JOCHJYFZSA-N 0 0 492.041 5.061 40 5 JKBBRN Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224706612 569954377 /nfs/dbraw/zinc/95/43/77/569954377.db2.gz NQYKXDNBBUMEGU-HXUWFJFHSA-N 0 0 483.634 5.003 40 5 JKBBRN Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224733988 569955299 /nfs/dbraw/zinc/95/52/99/569955299.db2.gz XFBJABPCVHMPBF-FQEVSTJZSA-N 0 0 483.634 5.003 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1 ZINC000224760692 569956481 /nfs/dbraw/zinc/95/64/81/569956481.db2.gz VSQBFGHTARQQHE-DHIUTWEWSA-N 0 0 490.635 6.380 40 5 JKBBRN Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780092 569957258 /nfs/dbraw/zinc/95/72/58/569957258.db2.gz YDTBNWQNCIHLDZ-ZEQRLZLVSA-N 0 0 487.610 5.657 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 ZINC000224879016 569961499 /nfs/dbraw/zinc/96/14/99/569961499.db2.gz ILDRYYWQAOJYQP-DHIUTWEWSA-N 0 0 491.960 5.317 40 5 JKBBRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224879097 569961536 /nfs/dbraw/zinc/96/15/36/569961536.db2.gz CXMAZBSWPQSHGL-INIZCTEOSA-N 0 0 492.403 5.310 40 5 JKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224906360 569962821 /nfs/dbraw/zinc/96/28/21/569962821.db2.gz VPKATHOOARWANZ-MRXNPFEDSA-N 0 0 492.403 5.310 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)ccc1F ZINC000224908339 569962885 /nfs/dbraw/zinc/96/28/85/569962885.db2.gz OZCLKDRQCOTHOP-RPWUZVMVSA-N 0 0 473.533 5.405 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F ZINC000224910640 569962981 /nfs/dbraw/zinc/96/29/81/569962981.db2.gz TWNGNTRSHVDMRX-DNQXCXABSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F ZINC000224910561 569962996 /nfs/dbraw/zinc/96/29/96/569962996.db2.gz TWNGNTRSHVDMRX-RPWUZVMVSA-N 0 0 474.517 5.874 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408604011 569970214 /nfs/dbraw/zinc/97/02/14/569970214.db2.gz CQIMQFPABDWSOS-UHFFFAOYSA-N 0 0 467.736 6.755 40 5 JKBBRN CCOc1cc(/C=C/C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)ccc1OC ZINC000408604075 569970247 /nfs/dbraw/zinc/97/02/47/569970247.db2.gz SELGKWXOXALVIH-PJQLUOCWSA-N 0 0 450.516 5.805 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225029632 569970272 /nfs/dbraw/zinc/97/02/72/569970272.db2.gz HRQBTARWVOJQOQ-DHIUTWEWSA-N 0 0 464.547 5.174 40 5 JKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408604722 569970461 /nfs/dbraw/zinc/97/04/61/569970461.db2.gz DWKDFNSHLGMICF-UHFFFAOYSA-N 0 0 470.806 6.819 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408605700 569970891 /nfs/dbraw/zinc/97/08/91/569970891.db2.gz GMGVIXKADNKXHI-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2O)c(C)c1 ZINC000408606224 569971126 /nfs/dbraw/zinc/97/11/26/569971126.db2.gz PFVJOGQYJCDBSG-UHFFFAOYSA-N 0 0 498.362 5.474 40 5 JKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408608000 569971614 /nfs/dbraw/zinc/97/16/14/569971614.db2.gz LMCYPUNTAQWQNF-UHFFFAOYSA-N 0 0 467.736 6.755 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 ZINC000225053185 569972150 /nfs/dbraw/zinc/97/21/50/569972150.db2.gz OGVSHSGEWHNHLC-UIOOFZCWSA-N 0 0 498.612 5.255 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000408609838 569972220 /nfs/dbraw/zinc/97/22/20/569972220.db2.gz PBDJIVWJTYLPDK-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225055370 569972260 /nfs/dbraw/zinc/97/22/60/569972260.db2.gz KLQOVDLNVAPPGI-FTJBHMTQSA-N 0 0 499.596 5.725 40 5 JKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408610750 569972539 /nfs/dbraw/zinc/97/25/39/569972539.db2.gz SAQQCVQXHBZSNQ-UHFFFAOYSA-N 0 0 481.763 7.145 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225100438 569975108 /nfs/dbraw/zinc/97/51/08/569975108.db2.gz WKMLSPFDRWQCIS-VWLOTQADSA-N 0 0 497.661 5.393 40 5 JKBBRN O=C(COC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(-c2ccccc2)cc1 ZINC000408620277 569977718 /nfs/dbraw/zinc/97/77/18/569977718.db2.gz LMQCPTRPKBKJEC-UHFFFAOYSA-N 0 0 461.857 6.215 40 5 JKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1 ZINC000408621733 569978406 /nfs/dbraw/zinc/97/84/06/569978406.db2.gz PIEKBHILJCTKDB-UHFFFAOYSA-N 0 0 485.334 5.896 40 5 JKBBRN COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000408624293 569979599 /nfs/dbraw/zinc/97/95/99/569979599.db2.gz VJZNZTAZARTUFB-UHFFFAOYSA-N 0 0 464.861 6.561 40 5 JKBBRN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCS/C1=C\c1csc(NCc2ccccc2)n1 ZINC000225255622 569986279 /nfs/dbraw/zinc/98/62/79/569986279.db2.gz ZQOACCHXUKDGFA-YBFXNURJSA-N 0 0 472.979 5.504 40 5 JKBBRN O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638474 569987910 /nfs/dbraw/zinc/98/79/10/569987910.db2.gz CLVYMEXMSUIUAR-HNNXBMFYSA-N 0 0 496.317 5.141 40 5 JKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 ZINC000408640303 569988826 /nfs/dbraw/zinc/98/88/26/569988826.db2.gz IRLNBGBCSHWKGM-HXUWFJFHSA-N 0 0 487.556 6.119 40 5 JKBBRN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408642536 569989758 /nfs/dbraw/zinc/98/97/58/569989758.db2.gz OTWCDGBKNFJIRQ-IBGZPJMESA-N 0 0 487.556 5.985 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O ZINC000408646170 569991763 /nfs/dbraw/zinc/99/17/63/569991763.db2.gz VSGILTSKDDXKSJ-HXUWFJFHSA-N 0 0 497.507 5.541 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225352928 569992368 /nfs/dbraw/zinc/99/23/68/569992368.db2.gz KKWJOPIUFCYVDR-IZZNHLLZSA-N 0 0 499.596 5.745 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225353950 569992498 /nfs/dbraw/zinc/99/24/98/569992498.db2.gz KNTMNHXMWBSXQS-VWLOTQADSA-N 0 0 497.661 5.127 40 5 JKBBRN C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 ZINC000408658930 569999315 /nfs/dbraw/zinc/99/93/15/569999315.db2.gz VGNCVYFHMOGWCZ-OXQOHEQNSA-N 0 0 492.915 5.083 40 5 JKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000408663977 570002757 /nfs/dbraw/zinc/00/27/57/570002757.db2.gz IICAVMFXQVATMD-LLBVYWAGSA-N 0 0 482.533 5.008 40 5 JKBBRN COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1Cl ZINC000225565573 570006045 /nfs/dbraw/zinc/00/60/45/570006045.db2.gz VDVQBCXOLOSSDI-UHFFFAOYSA-N 0 0 476.957 5.129 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408673861 570008855 /nfs/dbraw/zinc/00/88/55/570008855.db2.gz VVQIDCCNHQKNSV-UHFFFAOYSA-N 0 0 467.481 6.200 40 5 JKBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@H]2C1 ZINC000408675474 570010219 /nfs/dbraw/zinc/01/02/19/570010219.db2.gz AWGNSTPVQPUERU-DQEYMECFSA-N 0 0 481.508 5.360 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408676554 570010613 /nfs/dbraw/zinc/01/06/13/570010613.db2.gz DJISDTTZIXSDTE-FKCWEYQYSA-N 0 0 491.503 5.296 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000408676555 570010672 /nfs/dbraw/zinc/01/06/72/570010672.db2.gz DJISDTTZIXSDTE-VGNMNXCYSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2Cl)cc1 ZINC000408677878 570011108 /nfs/dbraw/zinc/01/11/08/570011108.db2.gz CDQDGJWBEUJSEP-QFIPXVFZSA-N 0 0 478.353 5.998 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Br)cc2)cc1 ZINC000408682135 570012769 /nfs/dbraw/zinc/01/27/69/570012769.db2.gz IZFIPMDUVUZPGX-JOCHJYFZSA-N 0 0 488.359 5.454 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408689430 570014875 /nfs/dbraw/zinc/01/48/75/570014875.db2.gz YDJDHPRCBWLHEI-QFIPXVFZSA-N 0 0 478.353 5.998 40 5 JKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Br)cc2)c1 ZINC000408694991 570017437 /nfs/dbraw/zinc/01/74/37/570017437.db2.gz NMTONXGHNKDTDD-UHFFFAOYSA-N 0 0 478.306 5.166 40 5 JKBBRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 ZINC000408695090 570017533 /nfs/dbraw/zinc/01/75/33/570017533.db2.gz OSDLPHBPNBBDJX-UHFFFAOYSA-N 0 0 468.300 5.710 40 5 JKBBRN CC[C@H](C(=O)N[C@@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225726172 570018135 /nfs/dbraw/zinc/01/81/35/570018135.db2.gz LBGZDRSCKVKESQ-MGPUTAFESA-N 0 0 480.392 5.166 40 5 JKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Br)cc2)cc1C ZINC000408695870 570018224 /nfs/dbraw/zinc/01/82/24/570018224.db2.gz UJMTYUHJGJVRPH-UHFFFAOYSA-N 0 0 492.333 5.474 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 ZINC000408696237 570018428 /nfs/dbraw/zinc/01/84/28/570018428.db2.gz YIUPJHYZLUKNFL-UHFFFAOYSA-N 0 0 488.718 6.055 40 5 JKBBRN CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 ZINC000408700891 570021425 /nfs/dbraw/zinc/02/14/25/570021425.db2.gz NSOHKDFMTRHTGO-UHFFFAOYSA-N 0 0 491.978 5.048 40 5 JKBBRN Cc1c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] ZINC000408702322 570022430 /nfs/dbraw/zinc/02/24/30/570022430.db2.gz BGDZFRAGTLTVLM-XMMPIXPASA-N 0 0 481.961 5.583 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 ZINC000408704011 570023719 /nfs/dbraw/zinc/02/37/19/570023719.db2.gz IIANEGIRHUQSJG-HSZRJFAPSA-N 0 0 467.934 5.275 40 5 JKBBRN O=C(CCCCCCCCCCC(=O)Nc1ccccc1[N+](=O)[O-])Nc1ccccc1[N+](=O)[O-] ZINC000408721801 570027150 /nfs/dbraw/zinc/02/71/50/570027150.db2.gz YZNBIBAPWSFRIS-UHFFFAOYSA-N 0 0 470.526 5.981 40 5 JKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1[N+](=O)[O-] ZINC000408721982 570027208 /nfs/dbraw/zinc/02/72/08/570027208.db2.gz BXIACYGKLJUCIU-UHFFFAOYSA-N 0 0 490.497 5.863 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000408725929 570028135 /nfs/dbraw/zinc/02/81/35/570028135.db2.gz JJJXEKZISLEFJZ-BKUYFWCQSA-N 0 0 466.902 6.068 40 5 JKBBRN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CSCN1C(=O)OCc1ccccc1 ZINC000408738870 570031325 /nfs/dbraw/zinc/03/13/25/570031325.db2.gz WOLUHMRIKLAQTO-JOCHJYFZSA-N 0 0 495.582 5.396 40 5 JKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 ZINC000408749341 570033566 /nfs/dbraw/zinc/03/35/66/570033566.db2.gz GATOWFUSWUUNJX-UHFFFAOYSA-N 0 0 481.942 5.951 40 5 JKBBRN O=C1[C@@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000408750999 570034202 /nfs/dbraw/zinc/03/42/02/570034202.db2.gz VFCVHIPYESGCQO-CALCHBBNSA-N 0 0 453.545 5.176 40 5 JKBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O ZINC000408755287 570035284 /nfs/dbraw/zinc/03/52/84/570035284.db2.gz DBTLUVNAROSSIT-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN Cc1cc(-c2c3cccc4c3c(cc2[N+](=O)[O-])C(=O)N(c2ccccc2)C4=O)ccc1Br ZINC000408756901 570035691 /nfs/dbraw/zinc/03/56/91/570035691.db2.gz KEIIZYJTAUIVTP-UHFFFAOYSA-N 0 0 487.309 6.287 40 5 JKBBRN CCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408756802 570035740 /nfs/dbraw/zinc/03/57/40/570035740.db2.gz JRFCVOTZVKZUDS-UHFFFAOYSA-N 0 0 454.280 5.260 40 5 JKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1C ZINC000408757726 570035965 /nfs/dbraw/zinc/03/59/65/570035965.db2.gz PLCSXTBMNNWTEY-UHFFFAOYSA-N 0 0 471.900 6.562 40 5 JKBBRN Cc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408757712 570035990 /nfs/dbraw/zinc/03/59/90/570035990.db2.gz PCXWDNDBJYZYHB-UHFFFAOYSA-N 0 0 457.873 6.254 40 5 JKBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc(O)c1 ZINC000408758100 570036090 /nfs/dbraw/zinc/03/60/90/570036090.db2.gz VHHRPNVMGQDSOI-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)c(C)c1 ZINC000408758108 570036113 /nfs/dbraw/zinc/03/61/13/570036113.db2.gz VMMNQAKBJZQAFL-UHFFFAOYSA-N 0 0 471.900 6.562 40 5 JKBBRN O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1cccc2ccccc21 ZINC000408757868 570036118 /nfs/dbraw/zinc/03/61/18/570036118.db2.gz QZKMUYDIRPVFDO-UHFFFAOYSA-N 0 0 493.906 7.099 40 5 JKBBRN CCCCN1C(=O)c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408758232 570036189 /nfs/dbraw/zinc/03/61/89/570036189.db2.gz XCWBRDWDXSSREK-UHFFFAOYSA-N 0 0 468.307 5.650 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000226333882 570037551 /nfs/dbraw/zinc/03/75/51/570037551.db2.gz CRYDTGWOULSLPD-IMERCNGYSA-N 0 0 460.961 7.124 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)c(OC)c3)S2)cc1 ZINC000408768162 570038283 /nfs/dbraw/zinc/03/82/83/570038283.db2.gz CKJQQDVCTFAVAC-LMSRTUJASA-N 0 0 491.569 5.344 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408770734 570038720 /nfs/dbraw/zinc/03/87/20/570038720.db2.gz BPNAHRQMUWEWMN-FNUHDPNESA-N 0 0 455.923 5.670 40 5 JKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1 ZINC000408777522 570040572 /nfs/dbraw/zinc/04/05/72/570040572.db2.gz BHALWPZLYVJYDN-AFHVAHMMSA-N 0 0 455.923 5.670 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)S2)cc1 ZINC000408777523 570040576 /nfs/dbraw/zinc/04/05/76/570040576.db2.gz BHALWPZLYVJYDN-ZRELAVNMSA-N 0 0 455.923 5.670 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408782953 570042142 /nfs/dbraw/zinc/04/21/42/570042142.db2.gz IZQOZRBISQXJRJ-ZRELAVNMSA-N 0 0 455.923 5.670 40 5 JKBBRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000408797129 570044650 /nfs/dbraw/zinc/04/46/50/570044650.db2.gz GFXONOWRAUXMCL-UHFFFAOYSA-N 0 0 480.953 5.899 40 5 JKBBRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 ZINC000408802926 570046310 /nfs/dbraw/zinc/04/63/10/570046310.db2.gz JGLZRMKQXGJDRJ-UHFFFAOYSA-N 0 0 454.915 5.888 40 5 JKBBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 ZINC000408803661 570046626 /nfs/dbraw/zinc/04/66/26/570046626.db2.gz RRNBCTYJCNVBBD-UHFFFAOYSA-N 0 0 470.914 5.588 40 5 JKBBRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 ZINC000408804272 570046938 /nfs/dbraw/zinc/04/69/38/570046938.db2.gz WTTJYQGNZKOIPE-UHFFFAOYSA-N 0 0 480.953 5.899 40 5 JKBBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 ZINC000408804560 570046987 /nfs/dbraw/zinc/04/69/87/570046987.db2.gz YJVFTTWSYABBJH-UHFFFAOYSA-N 0 0 476.534 5.254 40 5 JKBBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1Nc1ccccc1 ZINC000408814885 570050109 /nfs/dbraw/zinc/05/01/09/570050109.db2.gz SLYODPAWESYEGL-NDDKWJIQSA-N 0 0 488.589 6.909 40 5 JKBBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1Nc1ccccc1 ZINC000408814880 570050189 /nfs/dbraw/zinc/05/01/89/570050189.db2.gz SLYODPAWESYEGL-IVTWHQKDSA-N 0 0 488.589 6.909 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408819396 570051553 /nfs/dbraw/zinc/05/15/53/570051553.db2.gz QPZNTNUYGVOINE-NVMNQCDNSA-N 0 0 493.335 5.001 40 5 JKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000408822044 570052148 /nfs/dbraw/zinc/05/21/48/570052148.db2.gz AZQVSGSBUWZVKS-UHFFFAOYSA-N 0 0 477.545 7.305 40 5 JKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408826556 570052475 /nfs/dbraw/zinc/05/24/75/570052475.db2.gz JUARKQQFEWZKEE-UHFFFAOYSA-N 0 0 494.370 6.709 40 5 JKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000408829629 570052670 /nfs/dbraw/zinc/05/26/70/570052670.db2.gz OHRUASVLSBIDFO-UHFFFAOYSA-N 0 0 477.545 7.305 40 5 JKBBRN COc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408832110 570052727 /nfs/dbraw/zinc/05/27/27/570052727.db2.gz RDEPOSJOLDZRLR-UHFFFAOYSA-N 0 0 476.470 5.554 40 5 JKBBRN Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408831951 570052793 /nfs/dbraw/zinc/05/27/93/570052793.db2.gz HXBGJVCVHLNFMT-UHFFFAOYSA-N 0 0 484.364 7.253 40 5 JKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000408834724 570053002 /nfs/dbraw/zinc/05/30/02/570053002.db2.gz LQKBCTTZKRUHHE-UHFFFAOYSA-N 0 0 480.889 6.199 40 5 JKBBRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4c5ccccc5cc5ccccc54)C(=O)O3)sc2c1 ZINC000408838280 570053269 /nfs/dbraw/zinc/05/32/69/570053269.db2.gz DCCTVMNUHGBPLU-HYARGMPZSA-N 0 0 453.950 7.514 40 5 JKBBRN O=c1/c(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)sc2nc3ccccc3n12 ZINC000408902404 570069249 /nfs/dbraw/zinc/06/92/49/570069249.db2.gz INCFRLQDVXCLNM-MYYYXRDXSA-N 0 0 479.517 5.097 40 5 JKBBRN C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@H]2C)c4=O)[C@H]1C ZINC000248129313 570074872 /nfs/dbraw/zinc/07/48/72/570074872.db2.gz AASLOMJBKLCZLF-WMSUFPGBSA-N 0 0 486.612 5.060 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917035 570075653 /nfs/dbraw/zinc/07/56/53/570075653.db2.gz LEJLWVZEUKSXDB-WGOQTCKBSA-N 0 0 496.544 6.564 40 5 JKBBRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)c1 ZINC000408917357 570075711 /nfs/dbraw/zinc/07/57/11/570075711.db2.gz RUHCBWIEXNIPLB-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917638 570075892 /nfs/dbraw/zinc/07/58/92/570075892.db2.gz YXTQOTVUWJRJLP-WGOQTCKBSA-N 0 0 496.544 6.564 40 5 JKBBRN O=C(Nc1ccc(CSc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408920804 570077016 /nfs/dbraw/zinc/07/70/16/570077016.db2.gz NRWQWNJEEAUKDS-ZXVVBBHZSA-N 0 0 466.562 7.066 40 5 JKBBRN O=C(NCCSCc1ccc(Cl)cc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408924075 570078035 /nfs/dbraw/zinc/07/80/35/570078035.db2.gz NMBBBMVVOFYVCW-HYARGMPZSA-N 0 0 487.408 6.492 40 5 JKBBRN O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408931935 570080363 /nfs/dbraw/zinc/08/03/63/570080363.db2.gz SICVOBZLABPJBB-YVLHZVERSA-N 0 0 458.257 5.255 40 5 JKBBRN CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975488 570089660 /nfs/dbraw/zinc/08/96/60/570089660.db2.gz KZAPNSWCLLKXOR-UHFFFAOYSA-N 0 0 468.630 6.381 40 5 JKBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1cccc2ccccc21 ZINC000408975892 570089816 /nfs/dbraw/zinc/08/98/16/570089816.db2.gz OTKITZRTTYVEOR-UHFFFAOYSA-N 0 0 466.504 6.677 40 5 JKBBRN CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408976124 570089875 /nfs/dbraw/zinc/08/98/75/570089875.db2.gz PGYXBUQHZHOXJJ-UHFFFAOYSA-N 0 0 488.620 6.488 40 5 JKBBRN COC(=O)c1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408976861 570090038 /nfs/dbraw/zinc/09/00/38/570090038.db2.gz SQOYMBXPYAMKRU-UHFFFAOYSA-N 0 0 490.548 5.475 40 5 JKBBRN Cc1ccc(N(C)C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C ZINC000408977755 570090239 /nfs/dbraw/zinc/09/02/39/570090239.db2.gz XZSTVXUKUACXQW-UHFFFAOYSA-N 0 0 474.593 6.329 40 5 JKBBRN N=C1S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc2c(c1)OCO2 ZINC000408977922 570090325 /nfs/dbraw/zinc/09/03/25/570090325.db2.gz ZLYGIEPFERCIOS-XASQNKGUSA-N 0 0 469.862 5.293 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408979696 570090612 /nfs/dbraw/zinc/09/06/12/570090612.db2.gz RSCQBDIGAFCQOU-UHFFFAOYSA-N 0 0 458.524 6.247 40 5 JKBBRN Cc1nnc(SCC(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)s1 ZINC000408980603 570090758 /nfs/dbraw/zinc/09/07/58/570090758.db2.gz GAHGTPNJJHUGIK-UHFFFAOYSA-N 0 0 489.629 5.388 40 5 JKBBRN CCc1ccccc1N1C(=O)c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C1=O ZINC000408993458 570094840 /nfs/dbraw/zinc/09/48/40/570094840.db2.gz DDJMEPBGDVYJBH-UHFFFAOYSA-N 0 0 471.900 6.508 40 5 JKBBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc([N+](=O)[O-])cc2[C@@H]2c3ccccc3C[C@H]21 ZINC000408994303 570095023 /nfs/dbraw/zinc/09/50/23/570095023.db2.gz ZEJZXIFCVYCIFO-OIBXWCBGSA-N 0 0 451.320 5.837 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)N2 ZINC000408995518 570095357 /nfs/dbraw/zinc/09/53/57/570095357.db2.gz JURVSWICRFENIT-PIZZNKLWSA-N 0 0 482.967 7.298 40 5 JKBBRN O=C1c2cccc3c(Nc4ccccc4Cl)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 ZINC000408995524 570095383 /nfs/dbraw/zinc/09/53/83/570095383.db2.gz AUILPBLZERZPAI-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409002062 570096574 /nfs/dbraw/zinc/09/65/74/570096574.db2.gz SFSLBAIIHUNPPE-ZHACJKMWSA-N 0 0 459.418 5.537 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000409002183 570096600 /nfs/dbraw/zinc/09/66/00/570096600.db2.gz YSVDSLWKYYCREJ-IGBKUBFESA-N 0 0 482.967 7.298 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc([C@@H](C)Oc2ccc(Cl)cc2Cl)o1 ZINC000409004971 570097600 /nfs/dbraw/zinc/09/76/00/570097600.db2.gz COCSQQUONYFYNQ-LLVKDONJSA-N 0 0 483.333 5.464 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000409007060 570098265 /nfs/dbraw/zinc/09/82/65/570098265.db2.gz NGMCTMDBZWXWGI-LLVKDONJSA-N 0 0 483.333 5.464 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1CCc1ccccc1 ZINC000409008456 570098717 /nfs/dbraw/zinc/09/87/17/570098717.db2.gz YYWLEZVMNZUKPR-HAHDFKILSA-N 0 0 494.956 6.106 40 5 JKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409010824 570099447 /nfs/dbraw/zinc/09/94/47/570099447.db2.gz LSOZIRLVCIMNFX-MDBUFAAASA-N 0 0 491.363 5.771 40 5 JKBBRN Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409011451 570099693 /nfs/dbraw/zinc/09/96/93/570099693.db2.gz HVBIJHJMUFWNBT-NDENLUEZSA-N 0 0 453.907 5.584 40 5 JKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O ZINC000409013459 570100275 /nfs/dbraw/zinc/10/02/75/570100275.db2.gz NJWHNSGPDUSKPN-OTGIAGGSSA-N 0 0 491.363 5.771 40 5 JKBBRN CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409015436 570100991 /nfs/dbraw/zinc/10/09/91/570100991.db2.gz NAFCGVJGYNXIGO-RQZCQDPDSA-N 0 0 467.330 5.925 40 5 JKBBRN O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1ccccc1[N+](=O)[O-] ZINC000409015993 570101224 /nfs/dbraw/zinc/10/12/24/570101224.db2.gz QCJRBJXSPZHBFD-UHFFFAOYSA-N 0 0 483.333 5.027 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409016560 570101292 /nfs/dbraw/zinc/10/12/92/570101292.db2.gz DOVZSADSLADPLH-PCXKXAPESA-N 0 0 456.520 5.407 40 5 JKBBRN O=C1S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000409018735 570102331 /nfs/dbraw/zinc/10/23/31/570102331.db2.gz YUZWYBWDKXLJIY-UNOMPAQXSA-N 0 0 484.331 5.385 40 5 JKBBRN CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)N(C)C2=S)cc1 ZINC000409040168 570107312 /nfs/dbraw/zinc/10/73/12/570107312.db2.gz XVNUYYMCEGSUGG-JLPGSUDCSA-N 0 0 489.553 5.177 40 5 JKBBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 ZINC000409050636 570109775 /nfs/dbraw/zinc/10/97/75/570109775.db2.gz YACRBDWTZKZGDI-JLPGSUDCSA-N 0 0 490.537 5.598 40 5 JKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Cl ZINC000409052204 570110325 /nfs/dbraw/zinc/11/03/25/570110325.db2.gz GTGOVGNDKQTBGK-UHFFFAOYSA-N 0 0 453.882 6.430 40 5 JKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409055043 570111383 /nfs/dbraw/zinc/11/13/83/570111383.db2.gz XTBRSBQMUVHIBG-UHFFFAOYSA-N 0 0 498.879 6.338 40 5 JKBBRN O=C1NC(=Cc2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1c1cccc(Cl)c1 ZINC000409063843 570115612 /nfs/dbraw/zinc/11/56/12/570115612.db2.gz AIPLELXVGYEIEE-BUVRLJJBSA-N 0 0 499.910 6.078 40 5 JKBBRN CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409074730 570119536 /nfs/dbraw/zinc/11/95/36/570119536.db2.gz VFTAETLOXWBGHZ-CIAFOILYSA-N 0 0 493.903 5.323 40 5 JKBBRN COc1ccc(NC(=O)c2ccc3nc(-c4ccc([N+](=O)[O-])cc4)cc(-c4ccccc4)c3c2)cc1 ZINC000409082236 570121940 /nfs/dbraw/zinc/12/19/40/570121940.db2.gz ILXCJFILLPZGGY-UHFFFAOYSA-N 0 0 475.504 6.738 40 5 JKBBRN Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)cc1C ZINC000409096415 570126795 /nfs/dbraw/zinc/12/67/95/570126795.db2.gz JSHQKUSQFRWCSS-UHFFFAOYSA-N 0 0 471.464 6.024 40 5 JKBBRN Cc1cccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccncc2)c1 ZINC000409096770 570126982 /nfs/dbraw/zinc/12/69/82/570126982.db2.gz GPBWHAZIWDHJLC-UHFFFAOYSA-N 0 0 457.437 5.716 40 5 JKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 ZINC000409097054 570127110 /nfs/dbraw/zinc/12/71/10/570127110.db2.gz MHDFNVRPFWIYOM-UHFFFAOYSA-N 0 0 477.855 6.061 40 5 JKBBRN COc1ccc(-n2c(Cc3ccccc3)nnc2Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409098637 570127604 /nfs/dbraw/zinc/12/76/04/570127604.db2.gz IXXOCIDSPWGXSS-UHFFFAOYSA-N 0 0 486.475 5.945 40 5 JKBBRN CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409098903 570127698 /nfs/dbraw/zinc/12/76/98/570127698.db2.gz MPQBUISMTDBRNY-FZSIALSZSA-N 0 0 485.301 5.150 40 5 JKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409100178 570128137 /nfs/dbraw/zinc/12/81/37/570128137.db2.gz QJHGIPGMCGIJOE-NVMNQCDNSA-N 0 0 474.822 6.339 40 5 JKBBRN CCc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409105367 570129958 /nfs/dbraw/zinc/12/99/58/570129958.db2.gz NBASTJDGFAMMCS-UHFFFAOYSA-N 0 0 450.951 6.351 40 5 JKBBRN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O ZINC000409105922 570130159 /nfs/dbraw/zinc/13/01/59/570130159.db2.gz JZLSBEXYGDCSFL-LBFZPMSMSA-N 0 0 496.419 5.004 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2ccccc2CNc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000409109426 570131515 /nfs/dbraw/zinc/13/15/15/570131515.db2.gz DQJCLZOAPQYLQI-UHFFFAOYSA-N 0 0 457.442 6.700 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409109671 570131580 /nfs/dbraw/zinc/13/15/80/570131580.db2.gz JCLUURICPDXZIP-UHFFFAOYSA-N 0 0 495.362 7.885 40 5 JKBBRN CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(F)cc3)c(=O)c2c1C ZINC000409111656 570132385 /nfs/dbraw/zinc/13/23/85/570132385.db2.gz DRYOLHQORGEWHN-UHFFFAOYSA-N 0 0 469.563 6.048 40 5 JKBBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c2ccccc21 ZINC000409112053 570132529 /nfs/dbraw/zinc/13/25/29/570132529.db2.gz AQMWFIFBCWNMLN-MOSHPQCFSA-N 0 0 479.330 5.843 40 5 JKBBRN COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116486 570134276 /nfs/dbraw/zinc/13/42/76/570134276.db2.gz MBHBFCSECSZDHV-UHFFFAOYSA-N 0 0 471.351 6.174 40 5 JKBBRN CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116879 570134413 /nfs/dbraw/zinc/13/44/13/570134413.db2.gz MHQMDJJGLVKJTM-UHFFFAOYSA-N 0 0 485.378 6.510 40 5 JKBBRN CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000409117502 570134635 /nfs/dbraw/zinc/13/46/35/570134635.db2.gz ODDKQVFIRFWYBM-UHFFFAOYSA-N 0 0 486.018 6.562 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)N1Cc1ccccc1 ZINC000409118554 570134960 /nfs/dbraw/zinc/13/49/60/570134960.db2.gz OAYSSDZIRKLIPI-HHHXNRCGSA-N 0 0 467.500 6.095 40 5 JKBBRN CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000409119566 570135342 /nfs/dbraw/zinc/13/53/42/570135342.db2.gz SVZSBMLFSXBERK-UHFFFAOYSA-N 0 0 481.599 5.917 40 5 JKBBRN CC(C)c1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409120557 570135686 /nfs/dbraw/zinc/13/56/86/570135686.db2.gz UGPHSINYKZADAA-PMERELPUSA-N 0 0 491.591 7.080 40 5 JKBBRN CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(OC)cc3)c(=O)c2c1C ZINC000409129555 570139557 /nfs/dbraw/zinc/13/95/57/570139557.db2.gz HBQHKVGJXCPDSQ-UHFFFAOYSA-N 0 0 481.599 5.917 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 ZINC000409133860 570141383 /nfs/dbraw/zinc/14/13/83/570141383.db2.gz UPMYRQJPYCKWEK-PXLXIMEGSA-N 0 0 464.499 5.533 40 5 JKBBRN CCCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3cccc(C)c3)c(=O)c2c1C ZINC000409135851 570142249 /nfs/dbraw/zinc/14/22/49/570142249.db2.gz SNMZLFFPIANZHE-UHFFFAOYSA-N 0 0 465.600 6.217 40 5 JKBBRN CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000409137173 570142760 /nfs/dbraw/zinc/14/27/60/570142760.db2.gz VLVNNLCXFLEKBK-UHFFFAOYSA-N 0 0 471.627 5.459 40 5 JKBBRN CCc1sc2nc(SCc3ccc([N+](=O)[O-])cc3)n(-c3ccc(C)cc3)c(=O)c2c1C ZINC000409137137 570142778 /nfs/dbraw/zinc/14/27/78/570142778.db2.gz WMIAOLJMDYCUIN-UHFFFAOYSA-N 0 0 451.573 5.827 40 5 JKBBRN CCc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000409139480 570143873 /nfs/dbraw/zinc/14/38/73/570143873.db2.gz BASWFBWIGBIAKS-LJAQVGFWSA-N 0 0 477.564 6.519 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1Cc1ccccc1 ZINC000409139863 570144105 /nfs/dbraw/zinc/14/41/05/570144105.db2.gz PBVZYPGUJFAFRJ-HHHXNRCGSA-N 0 0 483.955 6.610 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccccc2Cl)N1Cc1ccccc1 ZINC000409139867 570144116 /nfs/dbraw/zinc/14/41/16/570144116.db2.gz PBVZYPGUJFAFRJ-MHZLTWQESA-N 0 0 483.955 6.610 40 5 JKBBRN O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1CCCc1ccccc1 ZINC000409142105 570145152 /nfs/dbraw/zinc/14/51/52/570145152.db2.gz LFPXGCRWYSZMCZ-YZSQISJMSA-N 0 0 497.576 6.267 40 5 JKBBRN O=S1(=O)c2ccccc2N[C@H](c2c3ccccc3cc3ccccc32)N1Cc1ccccc1 ZINC000409145096 570146486 /nfs/dbraw/zinc/14/64/86/570146486.db2.gz PFKCFGUNOHRMIZ-NDEPHWFRSA-N 0 0 450.563 6.308 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1CCCc1ccccc1 ZINC000409146144 570147023 /nfs/dbraw/zinc/14/70/23/570147023.db2.gz JVIXQUVMLLUJQH-JJIBRWJFSA-N 0 0 474.538 5.843 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc(Cl)cc1 ZINC000409159408 570151626 /nfs/dbraw/zinc/15/16/26/570151626.db2.gz ZXVPOUGYZSTLGR-YBFXNURJSA-N 0 0 483.889 5.183 40 5 JKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409162930 570152518 /nfs/dbraw/zinc/15/25/18/570152518.db2.gz JQNSQASBHNSWGK-UUYOSTAYSA-N 0 0 491.525 5.455 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409168093 570153969 /nfs/dbraw/zinc/15/39/69/570153969.db2.gz KCUBXNPYQPSJIV-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409171076 570154895 /nfs/dbraw/zinc/15/48/95/570154895.db2.gz XYFOUYISTMHSBC-WSDLNYQXSA-N 0 0 491.525 5.455 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1Cl ZINC000409172413 570155348 /nfs/dbraw/zinc/15/53/48/570155348.db2.gz HKMWYHZVFZLHFH-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN O=C(COc1ccc(Cl)cc1Cl)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409172404 570155361 /nfs/dbraw/zinc/15/53/61/570155361.db2.gz HISCMLRGQFFLOC-QFIPXVFZSA-N 0 0 460.269 5.448 40 5 JKBBRN O=C(COc1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409172403 570155366 /nfs/dbraw/zinc/15/53/66/570155366.db2.gz HISCMLRGQFFLOC-JOCHJYFZSA-N 0 0 460.269 5.448 40 5 JKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000409173853 570155949 /nfs/dbraw/zinc/15/59/49/570155949.db2.gz NZSYBZDURDXADZ-PCLIKHOPSA-N 0 0 466.562 6.230 40 5 JKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000409173891 570155990 /nfs/dbraw/zinc/15/59/90/570155990.db2.gz ORMSEQFJEMYTNE-UHFFFAOYSA-N 0 0 489.311 6.156 40 5 JKBBRN Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)c1 ZINC000409174289 570156165 /nfs/dbraw/zinc/15/61/65/570156165.db2.gz QYXZZNLZZKKDHU-UHFFFAOYSA-N 0 0 497.503 6.314 40 5 JKBBRN Cc1ccc(NCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409174292 570156174 /nfs/dbraw/zinc/15/61/74/570156174.db2.gz RCTBBUOUDXEWCY-UHFFFAOYSA-N 0 0 468.509 6.665 40 5 JKBBRN O=C1NC(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409174393 570156204 /nfs/dbraw/zinc/15/62/04/570156204.db2.gz RWIHKDOELQWASK-FRKPEAEDSA-N 0 0 478.675 5.912 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1C(=O)c1ccccc1 ZINC000409175763 570156784 /nfs/dbraw/zinc/15/67/84/570156784.db2.gz CHCCARCMQDPJPG-UHFFFAOYSA-N 0 0 453.450 5.975 40 5 JKBBRN Cc1c(Br)cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000409176764 570157113 /nfs/dbraw/zinc/15/71/13/570157113.db2.gz XAZFDSGJKJLNFD-NRFANRHFSA-N 0 0 499.273 5.355 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1 ZINC000409176876 570157312 /nfs/dbraw/zinc/15/73/12/570157312.db2.gz ZTSUVZOOUOMKBX-AREMUKBSSA-N 0 0 452.466 6.119 40 5 JKBBRN Cc1ccc(Cl)cc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409177090 570157409 /nfs/dbraw/zinc/15/74/09/570157409.db2.gz AGBILVLXSHOBIR-RUZDIDTESA-N 0 0 480.904 5.443 40 5 JKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409177369 570157488 /nfs/dbraw/zinc/15/74/88/570157488.db2.gz FOGILRHHWQKKEI-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409177421 570157506 /nfs/dbraw/zinc/15/75/06/570157506.db2.gz AFZVDBWCHKMKRD-UHFFFAOYSA-N 0 0 473.506 5.238 40 5 JKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000409177649 570157576 /nfs/dbraw/zinc/15/75/76/570157576.db2.gz HJOKZXXEMFPFFS-UHFFFAOYSA-N 0 0 461.477 6.229 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000409177626 570157583 /nfs/dbraw/zinc/15/75/83/570157583.db2.gz BDTNOUHUUBTOCW-UHFFFAOYSA-N 0 0 494.459 5.545 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000409177614 570157628 /nfs/dbraw/zinc/15/76/28/570157628.db2.gz COIORBURDRMQNA-JWQCQUIFSA-N 0 0 498.491 5.200 40 5 JKBBRN Cc1c(Cl)cccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409177763 570157679 /nfs/dbraw/zinc/15/76/79/570157679.db2.gz CTCGUHITUJEJOD-VWLOTQADSA-N 0 0 480.904 5.443 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409178274 570157910 /nfs/dbraw/zinc/15/79/10/570157910.db2.gz GBWNZDDXSUECFO-CIAFOILYSA-N 0 0 477.498 5.147 40 5 JKBBRN O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000409178577 570157986 /nfs/dbraw/zinc/15/79/86/570157986.db2.gz GWPUSSDFKRXJIK-MHZLTWQESA-N 0 0 483.480 5.029 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000409178675 570157994 /nfs/dbraw/zinc/15/79/94/570157994.db2.gz MQPILFJGQADGNE-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000409178562 570158019 /nfs/dbraw/zinc/15/80/19/570158019.db2.gz LHLXHJVPGXQASL-UHFFFAOYSA-N 0 0 482.517 7.021 40 5 JKBBRN Cc1ccc(C)c(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409178979 570158088 /nfs/dbraw/zinc/15/80/88/570158088.db2.gz LVXUDMHICVEXBT-AREMUKBSSA-N 0 0 460.486 5.098 40 5 JKBBRN O=C(CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccc2cccnc21 ZINC000409178806 570158139 /nfs/dbraw/zinc/15/81/39/570158139.db2.gz OVLIYDNCHNBWLU-UHFFFAOYSA-N 0 0 471.469 5.397 40 5 JKBBRN Cc1cccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409178874 570158153 /nfs/dbraw/zinc/15/81/53/570158153.db2.gz OBLHFOCTQNTCPO-NDEPHWFRSA-N 0 0 481.504 6.263 40 5 JKBBRN Cc1ccc(-c2cc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c3ccccc3n2)cc1 ZINC000409179257 570158263 /nfs/dbraw/zinc/15/82/63/570158263.db2.gz OERWAKIKAHENOP-UHFFFAOYSA-N 0 0 490.515 7.268 40 5 JKBBRN Cc1cccc(OCc2ccc(C(=O)Oc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1 ZINC000409179415 570158340 /nfs/dbraw/zinc/15/83/40/570158340.db2.gz NBHSOWDVSHXZNW-UHFFFAOYSA-N 0 0 455.466 6.494 40 5 JKBBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 ZINC000409179784 570158535 /nfs/dbraw/zinc/15/85/35/570158535.db2.gz SJUVEUQTSZIBOR-KGVSQERTSA-N 0 0 492.340 5.354 40 5 JKBBRN CCC(=O)Nc1cc(OC)c(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409179894 570158542 /nfs/dbraw/zinc/15/85/42/570158542.db2.gz PHYDEOFWFJYFSL-UHFFFAOYSA-N 0 0 484.892 5.755 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000409179808 570158585 /nfs/dbraw/zinc/15/85/85/570158585.db2.gz TXCSAQDQAAGVON-PLQXJYEYSA-N 0 0 498.491 5.200 40 5 JKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000409180484 570158882 /nfs/dbraw/zinc/15/88/82/570158882.db2.gz UFOKWZNDXIGMQB-XMMPIXPASA-N 0 0 466.877 5.134 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409181132 570159233 /nfs/dbraw/zinc/15/92/33/570159233.db2.gz XKICAUKUKOPKRJ-UHFFFAOYSA-N 0 0 459.885 6.987 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c(C)c1 ZINC000409181329 570159340 /nfs/dbraw/zinc/15/93/40/570159340.db2.gz BHQQXHAIUGIANZ-WSDLNYQXSA-N 0 0 491.525 5.455 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409181519 570159408 /nfs/dbraw/zinc/15/94/08/570159408.db2.gz CLAUHTSOUHBMOK-FQEVSTJZSA-N 0 0 475.240 5.591 40 5 JKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc(C(F)(F)F)c1 ZINC000409181677 570159491 /nfs/dbraw/zinc/15/94/91/570159491.db2.gz DSIYMPQEVRTLPS-UHFFFAOYSA-N 0 0 488.418 5.868 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)c([N+](=O)[O-])c1 ZINC000409181683 570159503 /nfs/dbraw/zinc/15/95/03/570159503.db2.gz DWLGQIZIDVVKFE-UHFFFAOYSA-N 0 0 479.445 5.066 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409181645 570159561 /nfs/dbraw/zinc/15/95/61/570159561.db2.gz DMUIDUYAYZQDAV-SANMLTNESA-N 0 0 498.447 6.076 40 5 JKBBRN O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000409181810 570159570 /nfs/dbraw/zinc/15/95/70/570159570.db2.gz FKMHBDOYDZTYAJ-AREMUKBSSA-N 0 0 480.476 5.628 40 5 JKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409181919 570159580 /nfs/dbraw/zinc/15/95/80/570159580.db2.gz GRAKWHFATOWTJB-XMMPIXPASA-N 0 0 466.877 5.134 40 5 JKBBRN CCC(=O)Nc1cc(OC)c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409181956 570159642 /nfs/dbraw/zinc/15/96/42/570159642.db2.gz HCHBFFYVBKBOIT-XMMPIXPASA-N 0 0 496.903 5.386 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000409182724 570159918 /nfs/dbraw/zinc/15/99/18/570159918.db2.gz OLGVCADBBDBQQT-GDLZYMKVSA-N 0 0 488.499 6.591 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000409182725 570159998 /nfs/dbraw/zinc/15/99/98/570159998.db2.gz OLGVCADBBDBQQT-LJAQVGFWSA-N 0 0 488.499 6.591 40 5 JKBBRN O=C(Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000409182950 570160037 /nfs/dbraw/zinc/16/00/37/570160037.db2.gz PHAMUNPNZBDLBU-SANMLTNESA-N 0 0 480.476 5.628 40 5 JKBBRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409183010 570160104 /nfs/dbraw/zinc/16/01/04/570160104.db2.gz REJGPNVCGPZTAM-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000409183751 570160266 /nfs/dbraw/zinc/16/02/66/570160266.db2.gz UOIJCJMQIJJDDB-HHHXNRCGSA-N 0 0 483.955 6.922 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000409183886 570160276 /nfs/dbraw/zinc/16/02/76/570160276.db2.gz UOZPIKVVQOPSNF-UHFFFAOYSA-N 0 0 473.235 5.415 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409183884 570160311 /nfs/dbraw/zinc/16/03/11/570160311.db2.gz VZGINXRFUBCKBX-UHFFFAOYSA-N 0 0 486.436 6.445 40 5 JKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 ZINC000409184665 570160510 /nfs/dbraw/zinc/16/05/10/570160510.db2.gz YYSBFDCMYIPXOS-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C1S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409189140 570161399 /nfs/dbraw/zinc/16/13/99/570161399.db2.gz DGMPBBRTTZIADG-YDZHTSKRSA-N 0 0 489.940 6.492 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409189691 570161528 /nfs/dbraw/zinc/16/15/28/570161528.db2.gz NEDXKSSANDFTAR-FYJGNVAPSA-N 0 0 466.902 6.068 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409190065 570161600 /nfs/dbraw/zinc/16/16/00/570161600.db2.gz VNGBVXZZTFSWQO-YBFXNURJSA-N 0 0 456.863 5.758 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409190177 570161793 /nfs/dbraw/zinc/16/17/93/570161793.db2.gz MBHCVYXNNVVEJE-CNHKJKLMSA-N 0 0 495.727 7.056 40 5 JKBBRN Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 ZINC000409195205 570163316 /nfs/dbraw/zinc/16/33/16/570163316.db2.gz NMTBRMGVCKKWKD-QHCPKHFHSA-N 0 0 457.515 5.173 40 5 JKBBRN COc1ccc(-c2s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409196555 570163720 /nfs/dbraw/zinc/16/37/20/570163720.db2.gz WBKVPLRTRVVMAN-QPLCGJKRSA-N 0 0 475.526 5.087 40 5 JKBBRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 ZINC000409196713 570163833 /nfs/dbraw/zinc/16/38/33/570163833.db2.gz WHWNRSOQOQBQND-LCUIJRPUSA-N 0 0 479.945 5.732 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)n2C)cc1 ZINC000409197827 570164019 /nfs/dbraw/zinc/16/40/19/570164019.db2.gz PREIFEGVCYRSPF-IZHYLOQSSA-N 0 0 474.498 5.287 40 5 JKBBRN O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000409197896 570164129 /nfs/dbraw/zinc/16/41/29/570164129.db2.gz RLOVIKCXJDEVRP-UNOMPAQXSA-N 0 0 465.918 5.492 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409199490 570164703 /nfs/dbraw/zinc/16/47/03/570164703.db2.gz DSCMVFKWQSZZFZ-WSDLNYQXSA-N 0 0 496.928 6.077 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CCc1ccccc1 ZINC000409200525 570165092 /nfs/dbraw/zinc/16/50/92/570165092.db2.gz HYADZMIMFAPXSI-KQWNVCNZSA-N 0 0 460.511 5.453 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409201727 570165612 /nfs/dbraw/zinc/16/56/12/570165612.db2.gz NTIWJCIORZYELZ-CIAFOILYSA-N 0 0 466.902 6.068 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409203371 570166367 /nfs/dbraw/zinc/16/63/67/570166367.db2.gz XOHYHGWXEDZDJE-VXLYETTFSA-N 0 0 483.889 5.685 40 5 JKBBRN Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1Cl ZINC000409204594 570166792 /nfs/dbraw/zinc/16/67/92/570166792.db2.gz AUXSDVSNSASNAR-NHDPSOOVSA-N 0 0 462.845 5.120 40 5 JKBBRN CSc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c1 ZINC000409204480 570166841 /nfs/dbraw/zinc/16/68/41/570166841.db2.gz HABVBESELQPGHU-SOFYXZRVSA-N 0 0 498.369 5.299 40 5 JKBBRN COc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409205663 570167052 /nfs/dbraw/zinc/16/70/52/570167052.db2.gz JEMNFARGQZZRNS-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1C ZINC000409206743 570167341 /nfs/dbraw/zinc/16/73/41/570167341.db2.gz WXYZZYWXGNKQLP-RFBIWTDZSA-N 0 0 477.973 6.340 40 5 JKBBRN O=C1S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 ZINC000409209810 570168989 /nfs/dbraw/zinc/16/89/89/570168989.db2.gz HHDJGFRYEZQSEU-FSJBWODESA-N 0 0 489.940 6.492 40 5 JKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1CCc1ccccc1 ZINC000409210250 570169311 /nfs/dbraw/zinc/16/93/11/570169311.db2.gz FSOWGYBORPASBN-HYARGMPZSA-N 0 0 491.481 5.574 40 5 JKBBRN COc1ccc(C(=O)N(C)CCc2cc(OC)c(OC)c3c2ccc2cc(OC)c(OC)cc23)cc1 ZINC000263585332 570171113 /nfs/dbraw/zinc/17/11/13/570171113.db2.gz HMCNVDHOPJXJBW-UHFFFAOYSA-N 0 0 489.568 5.351 40 5 biogenic JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409214224 570171528 /nfs/dbraw/zinc/17/15/28/570171528.db2.gz WXSYGJUJCPEDIT-CNHKJKLMSA-N 0 0 495.727 7.056 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409215679 570172231 /nfs/dbraw/zinc/17/22/31/570172231.db2.gz DINHVRCQFIQMGJ-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)c(C)c1 ZINC000409215789 570172341 /nfs/dbraw/zinc/17/23/41/570172341.db2.gz FGMQSYFUIUZHGV-IDUWFGFVSA-N 0 0 480.329 5.193 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409216718 570172912 /nfs/dbraw/zinc/17/29/12/570172912.db2.gz KOYJFSDARJOWKU-LFVJCYFKSA-N 0 0 490.537 5.461 40 5 JKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000409231638 570178068 /nfs/dbraw/zinc/17/80/68/570178068.db2.gz DPWZEPFGECKCCI-UDWIEESQSA-N 0 0 497.429 5.807 40 5 JKBBRN CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328978419 570180406 /nfs/dbraw/zinc/18/04/06/570180406.db2.gz FZCHJPIIBMKUCW-UHFFFAOYSA-N 0 0 461.444 5.773 40 5 JKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)cc1 ZINC000409238511 570180853 /nfs/dbraw/zinc/18/08/53/570180853.db2.gz DSKYHQYZTXYBFJ-WGOQTCKBSA-N 0 0 493.519 5.728 40 5 JKBBRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409239029 570181016 /nfs/dbraw/zinc/18/10/16/570181016.db2.gz YUGGHSPZKVLXTK-WOJGMQOQSA-N 0 0 462.911 5.282 40 5 JKBBRN COc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000329004270 570181186 /nfs/dbraw/zinc/18/11/86/570181186.db2.gz KQQHMGMCAYAOEN-UHFFFAOYSA-N 0 0 477.443 5.913 40 5 JKBBRN O=[N+]([O-])c1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cc1 ZINC000329006362 570181355 /nfs/dbraw/zinc/18/13/55/570181355.db2.gz LDNUQQRJEJKDBU-UHFFFAOYSA-N 0 0 459.428 6.049 40 5 JKBBRN CC[C@@H](C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008974 570181460 /nfs/dbraw/zinc/18/14/60/570181460.db2.gz LTTREGZYFYDPKY-GFCCVEGCSA-N 0 0 481.862 5.402 40 5 JKBBRN CC(C)(C)Nc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329008554 570181491 /nfs/dbraw/zinc/18/14/91/570181491.db2.gz LTCSPSATQZPIBZ-UHFFFAOYSA-N 0 0 481.862 6.558 40 5 JKBBRN CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329017854 570181723 /nfs/dbraw/zinc/18/17/23/570181723.db2.gz NNEZJNZFVPJSAC-UHFFFAOYSA-N 0 0 461.444 5.773 40 5 JKBBRN CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O ZINC000409240533 570181755 /nfs/dbraw/zinc/18/17/55/570181755.db2.gz QFZQDEBVWBEUBI-WOJGMQOQSA-N 0 0 477.336 5.383 40 5 JKBBRN O=[N+]([O-])c1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCCC2)n1 ZINC000329014799 570181833 /nfs/dbraw/zinc/18/18/33/570181833.db2.gz MYMMBSMZWZSABX-UHFFFAOYSA-N 0 0 491.445 5.422 40 5 JKBBRN Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)cc1 ZINC000409244220 570183308 /nfs/dbraw/zinc/18/33/08/570183308.db2.gz ZTHGKNVPEFKNAI-QGMBQPNBSA-N 0 0 472.284 5.563 40 5 JKBBRN COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409244692 570183617 /nfs/dbraw/zinc/18/36/17/570183617.db2.gz HHQFPKTYWPEVNL-WOJGMQOQSA-N 0 0 497.356 5.553 40 5 JKBBRN COCCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409244962 570183704 /nfs/dbraw/zinc/18/37/04/570183704.db2.gz LFXTYXJVGXYEPC-HZHRSRAPSA-N 0 0 478.526 5.400 40 5 JKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(Cl)cc4Cl)o3)C2=O)c1 ZINC000409246670 570184463 /nfs/dbraw/zinc/18/44/63/570184463.db2.gz ACXZJGUJFWMLOW-QGMBQPNBSA-N 0 0 472.284 5.563 40 5 JKBBRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409246858 570184530 /nfs/dbraw/zinc/18/45/30/570184530.db2.gz FKIWYCCRLKSFSW-LICLKQGHSA-N 0 0 467.330 5.927 40 5 JKBBRN COCCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409248210 570184956 /nfs/dbraw/zinc/18/49/56/570184956.db2.gz GVDPWJQHXWUYBI-HZHRSRAPSA-N 0 0 478.526 5.400 40 5 JKBBRN O=c1[nH]c(-c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)nc2sc3c(c21)CCCC3 ZINC000409266923 570188592 /nfs/dbraw/zinc/18/85/92/570188592.db2.gz ZBOSEJZTJLLLJB-UHFFFAOYSA-N 0 0 464.459 5.551 40 5 JKBBRN COc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409270674 570189125 /nfs/dbraw/zinc/18/91/25/570189125.db2.gz IFJBCTZNFAFIGW-SRZZPIQSSA-N 0 0 498.900 5.436 40 5 JKBBRN COc1cccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409270579 570189144 /nfs/dbraw/zinc/18/91/44/570189144.db2.gz QZCNEAMMTVNIEE-UHFFFAOYSA-N 0 0 494.485 5.560 40 5 JKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408542124 570191759 /nfs/dbraw/zinc/19/17/59/570191759.db2.gz HGOKMDPKVOPOBQ-DAXSKMNVSA-N 0 0 465.340 5.790 40 5 JKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(I)cc1 ZINC000408545500 570192972 /nfs/dbraw/zinc/19/29/72/570192972.db2.gz ZHNCZVLARMSPHJ-UXBLZVDNSA-N 0 0 492.269 5.254 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408554852 570196469 /nfs/dbraw/zinc/19/64/69/570196469.db2.gz FXRNMOATBYUYBJ-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)cc1 ZINC000408554798 570196412 /nfs/dbraw/zinc/19/64/12/570196412.db2.gz FSJGAOPCSMISDD-UHFFFAOYSA-N 0 0 458.268 5.457 40 5 JKBBRN O=C1CS[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)N1c1ccc(Cl)cc1 ZINC000408554984 570196543 /nfs/dbraw/zinc/19/65/43/570196543.db2.gz GNRHLPRMPMCZHI-QFIPXVFZSA-N 0 0 475.353 6.259 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 ZINC000408557544 570198319 /nfs/dbraw/zinc/19/83/19/570198319.db2.gz OMVODXRKPAPZLE-UHFFFAOYSA-N 0 0 457.324 5.947 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408557616 570198374 /nfs/dbraw/zinc/19/83/74/570198374.db2.gz PLXZWOGOAJWCEI-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN Cc1cccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)c1 ZINC000408558439 570198944 /nfs/dbraw/zinc/19/89/44/570198944.db2.gz REKRIBLOBBDPFA-UHFFFAOYSA-N 0 0 470.323 5.295 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408558514 570199051 /nfs/dbraw/zinc/19/90/51/570199051.db2.gz RPRIQHLGPPLISY-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)c(OCc3ccccc3)c(Br)c2)c1 ZINC000408558529 570199092 /nfs/dbraw/zinc/19/90/92/570199092.db2.gz UUIYFAQQOUAKBB-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F ZINC000408558884 570199313 /nfs/dbraw/zinc/19/93/13/570199313.db2.gz SWPOYLMTTAYPTQ-UHFFFAOYSA-N 0 0 461.287 5.696 40 5 JKBBRN CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408559076 570199432 /nfs/dbraw/zinc/19/94/32/570199432.db2.gz XIACQSNRJCHOIX-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561505 570201158 /nfs/dbraw/zinc/20/11/58/570201158.db2.gz IZNZCTUYQRKMIR-GFMRDNFCSA-N 0 0 484.792 6.408 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Br)cc1 ZINC000408561542 570201196 /nfs/dbraw/zinc/20/11/96/570201196.db2.gz JKBJPCJXITXQNX-XDOYNYLZSA-N 0 0 460.353 5.211 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)cc1 ZINC000408562251 570201637 /nfs/dbraw/zinc/20/16/37/570201637.db2.gz OIRRENMUEZTTRA-ATJXCDBQSA-N 0 0 450.347 5.755 40 5 JKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408562720 570201864 /nfs/dbraw/zinc/20/18/64/570201864.db2.gz RSOBCEXYIHNGJF-NMWGTECJSA-N 0 0 470.765 6.154 40 5 JKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000408562642 570201877 /nfs/dbraw/zinc/20/18/77/570201877.db2.gz RCQUNAJNXHDWJD-ATJXCDBQSA-N 0 0 466.346 5.510 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408562527 570201884 /nfs/dbraw/zinc/20/18/84/570201884.db2.gz QRDYDXPXUIYNMI-FCQUAONHSA-N 0 0 454.508 5.055 40 5 JKBBRN O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408563124 570202092 /nfs/dbraw/zinc/20/20/92/570202092.db2.gz JCSBPNUZGRBDAO-LYBHJNIJSA-N 0 0 455.514 5.400 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563112 570202107 /nfs/dbraw/zinc/20/21/07/570202107.db2.gz UDUOKUPJYOGSKZ-LNVKXUELSA-N 0 0 474.926 5.400 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564672 570202725 /nfs/dbraw/zinc/20/27/25/570202725.db2.gz DNSIGFNSTHVEOC-RZPHLTDDSA-N 0 0 498.366 5.094 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(F)c1 ZINC000408564886 570202851 /nfs/dbraw/zinc/20/28/51/570202851.db2.gz AQNHEUUKUNIZAQ-HXUWFJFHSA-N 0 0 499.336 6.066 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 ZINC000408564987 570202929 /nfs/dbraw/zinc/20/29/29/570202929.db2.gz AWQBVVBSYPTHFU-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(F)cc1 ZINC000408564983 570202932 /nfs/dbraw/zinc/20/29/32/570202932.db2.gz AWJVEMSRKYAYPM-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 ZINC000408565105 570203032 /nfs/dbraw/zinc/20/30/32/570203032.db2.gz BEMBSPODMSAFGU-LJQANCHMSA-N 0 0 477.384 5.155 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565096 570203068 /nfs/dbraw/zinc/20/30/68/570203068.db2.gz HRAWXSGSMMPZFZ-LAMXGVLKSA-N 0 0 498.366 5.094 40 5 JKBBRN COc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000408565095 570203076 /nfs/dbraw/zinc/20/30/76/570203076.db2.gz BEFUNBRXZJKWJY-KRWDZBQOSA-N 0 0 483.775 5.110 40 5 JKBBRN COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(Cl)cc1 ZINC000408565097 570203094 /nfs/dbraw/zinc/20/30/94/570203094.db2.gz BEFUNBRXZJKWJY-QGZVFWFLSA-N 0 0 483.775 5.110 40 5 JKBBRN CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 ZINC000409328660 570203126 /nfs/dbraw/zinc/20/31/26/570203126.db2.gz ZNUNLZRLHSLEFG-ZDLGFXPLSA-N 0 0 459.911 5.047 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1 ZINC000408565346 570203170 /nfs/dbraw/zinc/20/31/70/570203170.db2.gz BTGDTYBUHIEWQO-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Cl ZINC000408565893 570203503 /nfs/dbraw/zinc/20/35/03/570203503.db2.gz DDCOOSUSVAFFGN-LJQANCHMSA-N 0 0 481.405 6.008 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000408565767 570203513 /nfs/dbraw/zinc/20/35/13/570203513.db2.gz DBWOJNJSNAXGMI-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408566204 570203605 /nfs/dbraw/zinc/20/36/05/570203605.db2.gz FBLFDXZMITVIAP-QFIPXVFZSA-N 0 0 451.320 5.918 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408566202 570203608 /nfs/dbraw/zinc/20/36/08/570203608.db2.gz FBLFDXZMITVIAP-JOCHJYFZSA-N 0 0 451.320 5.918 40 5 JKBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1OCC ZINC000408566367 570203680 /nfs/dbraw/zinc/20/36/80/570203680.db2.gz FLZHQZSUXRAFDW-FQEVSTJZSA-N 0 0 462.959 5.137 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(C)c(C)c1 ZINC000408566307 570203741 /nfs/dbraw/zinc/20/37/41/570203741.db2.gz FGZYMKZHNUXVEL-RUZDIDTESA-N 0 0 474.586 5.882 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000408566244 570203763 /nfs/dbraw/zinc/20/37/63/570203763.db2.gz FDQXTAYYOOIYAT-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408567069 570203840 /nfs/dbraw/zinc/20/38/40/570203840.db2.gz GGQKWOIUEGGFCR-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408566703 570203880 /nfs/dbraw/zinc/20/38/80/570203880.db2.gz FZPTVNKBYOSCKE-NRFANRHFSA-N 0 0 469.310 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000408566717 570203883 /nfs/dbraw/zinc/20/38/83/570203883.db2.gz GACRZKBBRNLKFM-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1Cl ZINC000408567205 570203947 /nfs/dbraw/zinc/20/39/47/570203947.db2.gz GSJOHARNTFKVIY-SFHVURJKSA-N 0 0 483.377 5.400 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(F)cc1 ZINC000408567194 570203983 /nfs/dbraw/zinc/20/39/83/570203983.db2.gz GRJTYIMDIPMIHS-HXUWFJFHSA-N 0 0 499.336 6.066 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000408568188 570204131 /nfs/dbraw/zinc/20/41/31/570204131.db2.gz HVUICMQTNLFVAX-OAQYLSRUSA-N 0 0 485.367 6.861 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(F)cc1 ZINC000408568111 570204166 /nfs/dbraw/zinc/20/41/66/570204166.db2.gz HROIEIHHNYMJFV-QHCPKHFHSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)cc1 ZINC000408569102 570204234 /nfs/dbraw/zinc/20/42/34/570204234.db2.gz IVEJBENPJSIYRR-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408569071 570204287 /nfs/dbraw/zinc/20/42/87/570204287.db2.gz IPNLIHJWCBHGED-FQEVSTJZSA-N 0 0 485.367 6.861 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1cccc(C)c1 ZINC000408569571 570204372 /nfs/dbraw/zinc/20/43/72/570204372.db2.gz JQCACIFEVUKYPM-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408569214 570204380 /nfs/dbraw/zinc/20/43/80/570204380.db2.gz JCYKQPZQQLYZPQ-FQEVSTJZSA-N 0 0 481.892 5.726 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408569525 570204385 /nfs/dbraw/zinc/20/43/85/570204385.db2.gz JKBWRQCWHRIMKA-HXUWFJFHSA-N 0 0 496.317 5.826 40 5 JKBBRN O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408569273 570204408 /nfs/dbraw/zinc/20/44/08/570204408.db2.gz MQQOYBMZBHRKNE-UHFFFAOYSA-N 0 0 484.624 6.242 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1cccc(C)c1 ZINC000408569570 570204413 /nfs/dbraw/zinc/20/44/13/570204413.db2.gz JQCACIFEVUKYPM-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1Cl ZINC000408569209 570204430 /nfs/dbraw/zinc/20/44/30/570204430.db2.gz JCRSMCPTJWAIMK-IBGZPJMESA-N 0 0 471.340 6.471 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccccc1 ZINC000408570002 570204513 /nfs/dbraw/zinc/20/45/13/570204513.db2.gz KNXDKMHJYPADPW-HSZRJFAPSA-N 0 0 480.977 5.918 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccccc1 ZINC000408571006 570204604 /nfs/dbraw/zinc/20/46/04/570204604.db2.gz MSCHETYUZNNNCF-QHCPKHFHSA-N 0 0 491.529 5.173 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571029 570204610 /nfs/dbraw/zinc/20/46/10/570204610.db2.gz MWUUHIQZJPPCFN-RUZDIDTESA-N 0 0 474.586 5.882 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408570891 570204612 /nfs/dbraw/zinc/20/46/12/570204612.db2.gz MFBAXBVGPGHQMX-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000408570993 570204626 /nfs/dbraw/zinc/20/46/26/570204626.db2.gz MPRMYFOLLMLBPM-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC ZINC000408570661 570204645 /nfs/dbraw/zinc/20/46/45/570204645.db2.gz LUJCNRDEYKYFRM-QFIPXVFZSA-N 0 0 456.568 5.100 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408570917 570204647 /nfs/dbraw/zinc/20/46/47/570204647.db2.gz MHTOKVVCFAWQMR-VWLOTQADSA-N 0 0 490.585 5.664 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000408571154 570204666 /nfs/dbraw/zinc/20/46/66/570204666.db2.gz NWVXLNKSOZVDDV-RUZDIDTESA-N 0 0 490.585 5.582 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F ZINC000408571377 570204731 /nfs/dbraw/zinc/20/47/31/570204731.db2.gz ONYLQQZHDSOLQA-IBGZPJMESA-N 0 0 454.885 5.957 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 ZINC000408572310 570204911 /nfs/dbraw/zinc/20/49/11/570204911.db2.gz QVTGJPQRAUSOSZ-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408572340 570204934 /nfs/dbraw/zinc/20/49/34/570204934.db2.gz QXRXPLYDZYUVPZ-NRFANRHFSA-N 0 0 496.317 5.826 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408572708 570205008 /nfs/dbraw/zinc/20/50/08/570205008.db2.gz RWGNKNWKKWEWDG-VWLOTQADSA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408572707 570205030 /nfs/dbraw/zinc/20/50/30/570205030.db2.gz RWGNKNWKKWEWDG-RUZDIDTESA-N 0 0 492.576 6.021 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl ZINC000408573675 570205251 /nfs/dbraw/zinc/20/52/51/570205251.db2.gz UAXQGXIQIDQPJF-GOSISDBHSA-N 0 0 467.378 5.700 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1Cl ZINC000408573565 570205259 /nfs/dbraw/zinc/20/52/59/570205259.db2.gz TWSWDHXQJCXKLS-NRFANRHFSA-N 0 0 450.922 6.208 40 5 JKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000408576373 570205916 /nfs/dbraw/zinc/20/59/16/570205916.db2.gz SVSQTVGOYFQNCZ-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)ccc1[N+](=O)[O-] ZINC000408576480 570205953 /nfs/dbraw/zinc/20/59/53/570205953.db2.gz VZCORRVETRSQNV-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc2ccccc2c1 ZINC000408577014 570206076 /nfs/dbraw/zinc/20/60/76/570206076.db2.gz YJBDAZUSXULOKH-AREMUKBSSA-N 0 0 466.537 6.707 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1 ZINC000408577097 570206090 /nfs/dbraw/zinc/20/60/90/570206090.db2.gz YOJLXQKQYRROOO-NRFANRHFSA-N 0 0 481.346 5.927 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)nc1 ZINC000408580180 570206580 /nfs/dbraw/zinc/20/65/80/570206580.db2.gz BAAWMZWOFRLYAG-UHFFFAOYSA-N 0 0 457.231 5.379 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc2c(c1)OCCO2 ZINC000001102741 194024592 /nfs/dbraw/zinc/02/45/92/194024592.db2.gz YFWHRKPLFCWVAW-MFKUBSTISA-N 0 0 496.544 5.439 40 5 JKBBRN CC(=O)c1ccc(NC(=O)CSc2ncnc3c4cc5cc(C)cc(C)c5nc4sc32)cc1 ZINC000001327816 194088266 /nfs/dbraw/zinc/08/82/66/194088266.db2.gz TVXOQKQBNKPIGH-UHFFFAOYSA-N 0 0 472.595 5.943 40 5 JKBBRN Cc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cc2c1c(=O)oc1ccc3ccccc3c12 ZINC000001862466 194150892 /nfs/dbraw/zinc/15/08/92/194150892.db2.gz TZLHQDZDLMPKSD-UHFFFAOYSA-N 0 0 455.469 6.729 40 5 JKBBRN O=[N+]([O-])c1cc([C@H](O)Cc2ccc3ccccc3n2)ccc1[C@@H](O)Cc1ccc2ccccc2n1 ZINC000003845191 194364081 /nfs/dbraw/zinc/36/40/81/194364081.db2.gz NQCMQHOPGXXXNG-IZLXSDGUSA-N 0 0 465.509 5.243 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2sc(Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1 ZINC000003666743 194357210 /nfs/dbraw/zinc/35/72/10/194357210.db2.gz MFMBMBJMDPWGGD-UHFFFAOYSA-N 0 0 458.326 7.561 40 5 JKBBRN CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000009404560 194743213 /nfs/dbraw/zinc/74/32/13/194743213.db2.gz WYFBQCDVNBAGTO-IZHYLOQSSA-N 0 0 460.563 5.362 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020609975 195182964 /nfs/dbraw/zinc/18/29/64/195182964.db2.gz BUOZIUDJQRZMMS-UHFFFAOYSA-N 0 0 469.457 5.158 40 5 JKBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020609974 195183067 /nfs/dbraw/zinc/18/30/67/195183067.db2.gz MMMZLNCHGFIDLD-UHFFFAOYSA-N 0 0 453.458 5.458 40 5 JKBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610174 195183363 /nfs/dbraw/zinc/18/33/63/195183363.db2.gz NNUNNRUCJIDFKI-UHFFFAOYSA-N 0 0 467.485 5.712 40 5 JKBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610175 195183416 /nfs/dbraw/zinc/18/34/16/195183416.db2.gz YDYSXPPJEAWTEI-UHFFFAOYSA-N 0 0 483.484 5.412 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020610634 195183858 /nfs/dbraw/zinc/18/38/58/195183858.db2.gz ASZVCOIQAGSOST-UHFFFAOYSA-N 0 0 481.512 6.273 40 5 JKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020611290 195184898 /nfs/dbraw/zinc/18/48/98/195184898.db2.gz UXKDFVRQKBKJIH-UHFFFAOYSA-N 0 0 499.483 5.167 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020611233 195184967 /nfs/dbraw/zinc/18/49/67/195184967.db2.gz CVGAAMHJWXAPGY-UHFFFAOYSA-N 0 0 497.511 5.720 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020611212 195184986 /nfs/dbraw/zinc/18/49/86/195184986.db2.gz TXTYJSJHUXDJRF-UHFFFAOYSA-N 0 0 484.560 5.442 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)c(Br)c1 ZINC000020611601 195185551 /nfs/dbraw/zinc/18/55/51/195185551.db2.gz JYKWZOJMPIDHEV-JXMROGBWSA-N 0 0 498.333 5.106 40 5 JKBBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 ZINC000020969970 195257489 /nfs/dbraw/zinc/25/74/89/195257489.db2.gz AGSDRFYPEDUQOA-QFIPXVFZSA-N 0 0 477.883 5.665 40 5 JKBBRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020970349 195257649 /nfs/dbraw/zinc/25/76/49/195257649.db2.gz JHLRPPKJNRYALT-XMMPIXPASA-N 0 0 469.501 5.271 40 5 JKBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000021005580 195265653 /nfs/dbraw/zinc/26/56/53/195265653.db2.gz GSVWDSLHHGLUCD-QHCPKHFHSA-N 0 0 474.904 5.587 40 5 JKBBRN CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 ZINC000021005499 195265723 /nfs/dbraw/zinc/26/57/23/195265723.db2.gz PXKKIHMUKRXSNO-QFIPXVFZSA-N 0 0 459.893 5.526 40 5 JKBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000021123753 195279882 /nfs/dbraw/zinc/27/98/82/195279882.db2.gz FLLRXWBMVGHAIA-SOFGYWHQSA-N 0 0 457.826 5.385 40 5 JKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000021578699 195316511 /nfs/dbraw/zinc/31/65/11/195316511.db2.gz XYVZRIBTXLLMPL-UHFFFAOYSA-N 0 0 470.529 6.181 40 5 JKBBRN Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 ZINC000059179555 195393568 /nfs/dbraw/zinc/39/35/68/195393568.db2.gz IDTWVRZULOCBJF-UHFFFAOYSA-N 0 0 456.524 5.028 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5oc4=O)cc3)cc2[N+](=O)[O-])CC1 ZINC000059294252 195396937 /nfs/dbraw/zinc/39/69/37/195396937.db2.gz UEFNTAOZUKMGOR-UHFFFAOYSA-N 0 0 483.524 5.857 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1 ZINC000059294568 195397092 /nfs/dbraw/zinc/39/70/92/195397092.db2.gz BAHCPPFDDYISRG-UHFFFAOYSA-N 0 0 479.901 6.532 40 5 JKBBRN O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000059364921 195398097 /nfs/dbraw/zinc/39/80/97/195398097.db2.gz MIMIKLSBKCETTG-UHFFFAOYSA-N 0 0 468.585 5.623 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 ZINC000059409115 195399149 /nfs/dbraw/zinc/39/91/49/195399149.db2.gz AMBYFLDBFVIUGG-NRFANRHFSA-N 0 0 470.348 5.633 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463600 195403268 /nfs/dbraw/zinc/40/32/68/195403268.db2.gz AQGBKZFFSVUARM-UHFFFAOYSA-N 0 0 471.582 7.244 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463598 195403327 /nfs/dbraw/zinc/40/33/27/195403327.db2.gz PQSQCUBJMUCMFW-UHFFFAOYSA-N 0 0 460.471 5.854 40 5 JKBBRN O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)sc2c1 ZINC000059489578 195406766 /nfs/dbraw/zinc/40/67/66/195406766.db2.gz JXCZLEMLFRYLRJ-UHFFFAOYSA-N 0 0 486.534 5.779 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106687716 195457626 /nfs/dbraw/zinc/45/76/26/195457626.db2.gz LVLKKSLTXKSGEC-XKZIYDEJSA-N 0 0 480.929 6.064 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106688128 195457873 /nfs/dbraw/zinc/45/78/73/195457873.db2.gz AVSHVNDSXVPQAX-MOSHPQCFSA-N 0 0 463.471 5.027 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1F ZINC000106697602 195458234 /nfs/dbraw/zinc/45/82/34/195458234.db2.gz XOYCCIQOZJFGCZ-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000106707258 195459335 /nfs/dbraw/zinc/45/93/35/195459335.db2.gz VGNHRRDTNSYGIQ-UCQKPKSFSA-N 0 0 476.579 6.599 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)c1 ZINC000106707376 195459364 /nfs/dbraw/zinc/45/93/64/195459364.db2.gz NZDSDJDSHGSSKQ-XKZIYDEJSA-N 0 0 496.997 6.944 40 5 JKBBRN O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000409230957 195505774 /nfs/dbraw/zinc/50/57/74/195505774.db2.gz HGIXIDALELDJJN-ZVHZXABRSA-N 0 0 487.512 5.973 40 5 JKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4cccc([N+](=O)[O-])c4)ccc4ccccc43)C2=O)c1 ZINC000409232124 195509086 /nfs/dbraw/zinc/50/90/86/195509086.db2.gz ODGWRPFYDPEFNR-WGOQTCKBSA-N 0 0 493.519 5.728 40 5 JKBBRN Cc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccc(Cl)cc4Cl)[C@@H]3C2=O)c1 ZINC000096297413 130052098 /nfs/dbraw/zinc/05/20/98/130052098.db2.gz BITHNFCOBAMDHH-BDTNDASRSA-N 0 0 498.322 5.261 40 5 JKBBRN O=C1[C@@H]2[C@H](c3c4ccccc4cc4ccccc43)N(c3ccccc3)O[C@@H]2C(=O)N1Cc1ccccc1 ZINC000096297415 130052249 /nfs/dbraw/zinc/05/22/49/130052249.db2.gz BRPVDHVWYDPSQO-NGDRWEMDSA-N 0 0 484.555 6.040 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000096298272 130052655 /nfs/dbraw/zinc/05/26/55/130052655.db2.gz JRARFLXUKCVKRZ-VJGNERBWSA-N 0 0 491.503 5.313 40 5 JKBBRN CCC(=O)n1c(C2CCCCC2)nc2c1SC(c1cccc([N+](=O)[O-])c1)=NN2C(=O)CC ZINC000016777992 521262685 /nfs/dbraw/zinc/26/26/85/521262685.db2.gz BYJASIHGJWMXDH-UHFFFAOYSA-N 0 0 455.540 5.100 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000022754894 521264171 /nfs/dbraw/zinc/26/41/71/521264171.db2.gz AMZLLJPTIGPYMR-UHFFFAOYSA-N 0 0 495.539 6.492 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022748167 521265200 /nfs/dbraw/zinc/26/52/00/521265200.db2.gz CAEPORRUMFFELM-UKTHLTGXSA-N 0 0 489.963 6.285 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 ZINC000022718366 522044175 /nfs/dbraw/zinc/04/41/75/522044175.db2.gz VOUMWWWBTIGBRH-KRWDZBQOSA-N 0 0 481.508 7.429 40 5 JKBBRN CC[C@@H](c1nc2c3sc4nc(C(F)(F)F)cc(C)c4c3ncn2n1)n1cc(Cl)cn1 ZINC000022532655 523127618 /nfs/dbraw/zinc/12/76/18/523127618.db2.gz BPFKMYMNMIWLNL-JTQLQIEISA-N 0 0 451.865 5.064 40 5 JKBBRN COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c4ccccc4ccc23)c1 ZINC000012488009 524851468 /nfs/dbraw/zinc/85/14/68/524851468.db2.gz QOUUXWWPCCRGQA-UHFFFAOYSA-N 0 0 495.604 6.506 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000022512549 526086720 /nfs/dbraw/zinc/08/67/20/526086720.db2.gz LPRXETXZRWEDSI-UHFFFAOYSA-N 0 0 452.532 5.233 40 5 JKBBRN Fc1ccccc1/C=C/c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccc3ccccc3c12 ZINC000008763937 526407181 /nfs/dbraw/zinc/40/71/81/526407181.db2.gz NBEWMNRMWMNSMG-KNTRCKAVSA-N 0 0 451.544 9.032 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000035152987 527102344 /nfs/dbraw/zinc/10/23/44/527102344.db2.gz NYYHHOOJOODDCY-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=c1[nH]c2c(Br)c([N+](=O)[O-])c(Br)cc2c2ccc(Br)cc12 ZINC000008649795 527319012 /nfs/dbraw/zinc/31/90/12/527319012.db2.gz BKPCLEXGHYSZEA-UHFFFAOYSA-N 0 0 476.906 5.289 40 5 JKBBRN O=c1c2ccc(C3=C[C@H](c4ccccc4)NN3c3ccccc3)c3cccc(c4nc5ccccc5n41)c32 ZINC000016478281 527463297 /nfs/dbraw/zinc/46/32/97/527463297.db2.gz FENKRRQVHGYMOU-MUUNZHRXSA-N 0 0 490.566 6.699 40 5 JKBBRN Cc1nn(-c2ccccc2)c(C)c1CCc1nc2c3sc4nc(C(F)F)cc(C)c4c3ncn2n1 ZINC000022747546 527539983 /nfs/dbraw/zinc/53/99/83/527539983.db2.gz GWNLZMFPHZIKQA-UHFFFAOYSA-N 0 0 489.555 5.721 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 ZINC000026124133 527605055 /nfs/dbraw/zinc/60/50/55/527605055.db2.gz CXCWBLZOVBRMQZ-SDNWHVSQSA-N 0 0 469.432 5.380 40 5 JKBBRN Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)ccc1[N+](=O)[O-] ZINC000000817417 553785564 /nfs/dbraw/zinc/78/55/64/553785564.db2.gz QFQWWAAZYIAEMN-UHFFFAOYSA-N 0 0 454.280 5.170 40 5 JKBBRN O=C(COC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000000839001 553792920 /nfs/dbraw/zinc/79/29/20/553792920.db2.gz SHQJPGSCVXSQER-UHFFFAOYSA-N 0 0 480.476 5.613 40 5 JKBBRN O=C(CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000853522 553799127 /nfs/dbraw/zinc/79/91/27/553799127.db2.gz XRBXAMRZIUEYNE-UHFFFAOYSA-N 0 0 450.322 5.315 40 5 aggregator JKBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000000863698 553804133 /nfs/dbraw/zinc/80/41/33/553804133.db2.gz GWMODMFRACIKFU-UHFFFAOYSA-N 0 0 488.573 5.135 40 5 JKBBRN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000000868880 553807496 /nfs/dbraw/zinc/80/74/96/553807496.db2.gz HJIHWTVBSQYMHX-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000000868986 553807705 /nfs/dbraw/zinc/80/77/05/553807705.db2.gz GFXYHLJFVUDHLF-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1cccc([N+](=O)[O-])c1 ZINC000000869934 553808501 /nfs/dbraw/zinc/80/85/01/553808501.db2.gz XMNJDHYZYINOHL-UHFFFAOYSA-N 0 0 450.907 5.589 40 5 JKBBRN COc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1 ZINC000000907450 553840243 /nfs/dbraw/zinc/84/02/43/553840243.db2.gz YTICOIYXCZAQQA-UHFFFAOYSA-N 0 0 460.515 5.135 40 5 JKBBRN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000951565 553881576 /nfs/dbraw/zinc/88/15/76/553881576.db2.gz PCJYKQPTSNJCDX-UHFFFAOYSA-N 0 0 464.341 5.282 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2cccnc21 ZINC000001266504 553938593 /nfs/dbraw/zinc/93/85/93/553938593.db2.gz WNXPCNMSQDCZJI-UHFFFAOYSA-N 0 0 456.457 6.805 40 5 JKBBRN O=C(CCC(=O)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000001671054 553982110 /nfs/dbraw/zinc/98/21/10/553982110.db2.gz WPWQTHQBBNYGRT-UHFFFAOYSA-N 0 0 498.058 5.408 40 5 JKBBRN O=[N+]([O-])c1cc(Br)cc(-c2c(Br)cc([N+](=O)[O-])cc2Br)c1 ZINC000001675951 553982448 /nfs/dbraw/zinc/98/24/48/553982448.db2.gz QGVYARVYHWOZDW-UHFFFAOYSA-N 0 0 480.894 5.458 40 5 JKBBRN O=C1c2cc(Br)ccc2-c2cc(Br)c([N+](=O)[O-])c(Br)c21 ZINC000001697049 553983125 /nfs/dbraw/zinc/98/31/25/553983125.db2.gz UWSPSRQKEHFYSM-UHFFFAOYSA-N 0 0 461.891 5.094 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc3c(c2)OCO3)cc1/C=C/c1ccc2c(c1)OCO2 ZINC000001714409 553984334 /nfs/dbraw/zinc/98/43/34/553984334.db2.gz NGMRWNUPBHUVGP-IJIVKGSJSA-N 0 0 460.398 5.301 40 5 JKBBRN CCOc1ccccc1/C=C/c1cc(/C=C/c2ccccc2OCC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001714435 553984597 /nfs/dbraw/zinc/98/45/97/553984597.db2.gz LCGDFKVPGMGRPZ-WXUKJITCSA-N 0 0 460.486 6.641 40 5 JKBBRN O=C(Oc1ccc(-c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001840237 553994393 /nfs/dbraw/zinc/99/43/93/553994393.db2.gz NOKKSIJJTWXSHN-UHFFFAOYSA-N 0 0 484.420 5.608 40 5 JKBBRN O=C(Oc1ccccc1)c1ccccc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001851534 553996382 /nfs/dbraw/zinc/99/63/82/553996382.db2.gz BUDFHQLUGBRNEA-UHFFFAOYSA-N 0 0 475.884 6.839 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000001858113 553997015 /nfs/dbraw/zinc/99/70/15/553997015.db2.gz OORWHCQKZLQESU-OAHLLOKOSA-N 0 0 479.920 6.587 40 5 JKBBRN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)COc1ccc(C(C)C)c(C)c1 ZINC000001916466 554004126 /nfs/dbraw/zinc/00/41/26/554004126.db2.gz PUUKVEXZYIWPFU-UHFFFAOYSA-N 0 0 482.558 5.949 40 5 JKBBRN O=[N+]([O-])c1cc(Oc2ccc(Br)cc2)cc(Oc2ccc(Br)cc2)c1 ZINC000003079288 554425497 /nfs/dbraw/zinc/42/54/97/554425497.db2.gz VVWNCRVLYOSIHS-UHFFFAOYSA-N 0 0 465.097 6.704 40 5 JKBBRN Cc1cccc(Oc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)cc([N+](=O)[O-])c2)c1 ZINC000003143188 554426994 /nfs/dbraw/zinc/42/69/94/554426994.db2.gz DQGUFLXWVZVQML-UHFFFAOYSA-N 0 0 490.519 6.801 40 5 JKBBRN Cc1csc(Sc2ccc(C(=O)OCC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2[N+](=O)[O-])n1 ZINC000003351901 554456965 /nfs/dbraw/zinc/45/69/65/554456965.db2.gz BWSQTQSDIWBBJL-WAIKUNEKSA-N 0 0 489.619 5.095 40 5 JKBBRN O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)[C@H](O)c2ccccc2-3)cc1 ZINC000004430069 554477772 /nfs/dbraw/zinc/47/77/72/554477772.db2.gz HSIQHLQAKLYRAP-HHHXNRCGSA-N 0 0 467.481 5.772 40 5 JKBBRN O=[N+]([O-])c1cc(Cl)ccc1NC(Nc1ccc(Cl)cc1[N+](=O)[O-])C(Cl)(Cl)Cl ZINC000005119358 554486855 /nfs/dbraw/zinc/48/68/55/554486855.db2.gz JRWNTZAWAATZKL-UHFFFAOYSA-N 0 0 474.515 6.030 40 5 JKBBRN CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000005431324 554490953 /nfs/dbraw/zinc/49/09/53/554490953.db2.gz ZQNXIOFTAVFDAC-UHFFFAOYSA-N 0 0 463.486 5.992 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000005949812 554498575 /nfs/dbraw/zinc/49/85/75/554498575.db2.gz CWVAHIVNNNCRQM-GOSISDBHSA-N 0 0 484.556 6.769 40 5 JKBBRN COc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccccc4[N+](=O)[O-])sc3n2)cc1 ZINC000006157075 554513350 /nfs/dbraw/zinc/51/33/50/554513350.db2.gz JRCWJEJGCLNQPA-UHFFFAOYSA-N 0 0 496.548 6.382 40 5 JKBBRN COc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1ccccc1 ZINC000006194319 554518052 /nfs/dbraw/zinc/51/80/52/554518052.db2.gz QRGJWCBCWCVQJA-QGZVFWFLSA-N 0 0 489.557 5.279 40 5 JKBBRN Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006195963 554518626 /nfs/dbraw/zinc/51/86/26/554518626.db2.gz TZVSCTNFOPELPS-UHFFFAOYSA-N 0 0 459.531 5.190 40 5 JKBBRN Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006246625 554523162 /nfs/dbraw/zinc/52/31/62/554523162.db2.gz MPONSKWNNSGYCC-QGZVFWFLSA-N 0 0 459.531 5.270 40 5 JKBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1-c1ccc(C)cc1 ZINC000006280111 554524271 /nfs/dbraw/zinc/52/42/71/554524271.db2.gz ZWSZMPXCRJZCJZ-UHFFFAOYSA-N 0 0 489.557 5.199 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000006280085 554524293 /nfs/dbraw/zinc/52/42/93/554524293.db2.gz PSMAENPKGZSKCW-UHFFFAOYSA-N 0 0 479.949 5.535 40 5 JKBBRN Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000006406965 554533873 /nfs/dbraw/zinc/53/38/73/554533873.db2.gz HIQAFIQIZLUSLI-UHFFFAOYSA-N 0 0 472.526 5.186 40 5 JKBBRN Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442713 554537042 /nfs/dbraw/zinc/53/70/42/554537042.db2.gz COZLNLFHPQQGIS-SFHVURJKSA-N 0 0 489.557 5.182 40 5 JKBBRN O=C1c2cc(-c3[nH]c(-c4ccc([N+](=O)[O-])cc4)nc3-c3ccccc3)ccc2-c2ccc([N+](=O)[O-])cc21 ZINC000006446754 554540912 /nfs/dbraw/zinc/54/09/12/554540912.db2.gz GVWZVFZRFYQDTA-UHFFFAOYSA-N 0 0 488.459 6.439 40 5 JKBBRN CCCCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000006471886 554543363 /nfs/dbraw/zinc/54/33/63/554543363.db2.gz XPDXDRYYPOAONP-DWACAAAGSA-N 0 0 499.611 7.079 40 5 JKBBRN O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474806 554544533 /nfs/dbraw/zinc/54/45/33/554544533.db2.gz DYGNVFVYIJQVPN-UHFFFAOYSA-N 0 0 494.964 5.172 40 5 JKBBRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000006844250 554558964 /nfs/dbraw/zinc/55/89/64/554558964.db2.gz IWJRLEJFCKKVSQ-UHFFFAOYSA-N 0 0 462.506 5.637 40 5 JKBBRN CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12 ZINC000006860529 554559142 /nfs/dbraw/zinc/55/91/42/554559142.db2.gz CAWCDLUNIABHER-UHFFFAOYSA-N 0 0 492.532 5.646 40 5 JKBBRN COc1ccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)cc1 ZINC000007060296 554563619 /nfs/dbraw/zinc/56/36/19/554563619.db2.gz KLLBPCGBDOJGEW-UHFFFAOYSA-N 0 0 477.520 5.619 40 5 JKBBRN O=C(NCCc1ccccn1)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000008763935 554664431 /nfs/dbraw/zinc/66/44/31/554664431.db2.gz HOHUZODLXYXSRL-UHFFFAOYSA-N 0 0 489.915 6.200 40 5 JKBBRN C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000008831768 554723634 /nfs/dbraw/zinc/72/36/34/554723634.db2.gz PULAYKORQWSPOY-INIZCTEOSA-N 0 0 464.547 5.360 40 5 JKBBRN C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000008831771 554723780 /nfs/dbraw/zinc/72/37/80/554723780.db2.gz XCSWZVWFQWRTAU-MRXNPFEDSA-N 0 0 464.547 5.360 40 5 JKBBRN CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008831969 554724630 /nfs/dbraw/zinc/72/46/30/554724630.db2.gz SFGYJXGJCUVEAE-UHFFFAOYSA-N 0 0 470.529 6.379 40 5 JKBBRN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008832078 554725067 /nfs/dbraw/zinc/72/50/67/554725067.db2.gz CUVDCULCWCRMHZ-UHFFFAOYSA-N 0 0 456.502 5.818 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 ZINC000008832098 554725235 /nfs/dbraw/zinc/72/52/35/554725235.db2.gz HUGXEGZWAPMTKE-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000008832166 554725448 /nfs/dbraw/zinc/72/54/48/554725448.db2.gz QYAZERKIDWWJCC-UHFFFAOYSA-N 0 0 467.485 5.712 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)c(C)c1 ZINC000008832216 554725754 /nfs/dbraw/zinc/72/57/54/554725754.db2.gz CFKRQBXFSBTKHK-UHFFFAOYSA-N 0 0 472.549 5.352 40 5 JKBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008832275 554726160 /nfs/dbraw/zinc/72/61/60/554726160.db2.gz KKUXZJVKRFPSMK-UHFFFAOYSA-N 0 0 464.497 5.034 40 5 JKBBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 ZINC000008832440 554726754 /nfs/dbraw/zinc/72/67/54/554726754.db2.gz VUZIFDJMVTZAQT-ZDUSSCGKSA-N 0 0 467.547 5.419 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000008832796 554728413 /nfs/dbraw/zinc/72/84/13/554728413.db2.gz GRTATPWHAGCWIE-UHFFFAOYSA-N 0 0 488.569 5.639 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cccc1[N+](=O)[O-] ZINC000008832798 554728420 /nfs/dbraw/zinc/72/84/20/554728420.db2.gz LIXACAMONMWYDG-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832873 554728582 /nfs/dbraw/zinc/72/85/82/554728582.db2.gz ZUHPRWDYSYQEID-UHFFFAOYSA-N 0 0 482.262 5.022 40 5 JKBBRN O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833010 554729393 /nfs/dbraw/zinc/72/93/93/554729393.db2.gz NIRSXGLCFLIZBZ-UHFFFAOYSA-N 0 0 487.796 5.672 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008833093 554729597 /nfs/dbraw/zinc/72/95/97/554729597.db2.gz WWUOZCXZYOSLPN-WEVVVXLNSA-N 0 0 492.340 5.697 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008833176 554730016 /nfs/dbraw/zinc/73/00/16/554730016.db2.gz XETLHARWRAZFIQ-UHFFFAOYSA-N 0 0 487.994 5.099 40 5 JKBBRN COc1c(C(=O)NC(=S)Nc2c(C)c(C)ccc2[N+](=O)[O-])cc2ccccc2c1Br ZINC000008833224 554730399 /nfs/dbraw/zinc/73/03/99/554730399.db2.gz BMQJKYMVBJMAPQ-UHFFFAOYSA-N 0 0 488.363 5.263 40 5 JKBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000008833231 554730413 /nfs/dbraw/zinc/73/04/13/554730413.db2.gz QOWUNSHTQASMQG-UHFFFAOYSA-N 0 0 494.754 5.299 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000008833302 554730527 /nfs/dbraw/zinc/73/05/27/554730527.db2.gz MAULISZOHVJFTA-QPJJXVBHSA-N 0 0 492.340 5.697 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(OCc2ccccc2)cc1 ZINC000008835229 554733806 /nfs/dbraw/zinc/73/38/06/554733806.db2.gz CCHFFYOGSFKWCQ-UHFFFAOYSA-N 0 0 486.347 5.063 40 5 JKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000008835252 554733985 /nfs/dbraw/zinc/73/39/85/554733985.db2.gz ZSZUZKNCIGCXDM-UHFFFAOYSA-N 0 0 478.555 5.315 40 5 JKBBRN Cc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)no2)cc1[N+](=O)[O-] ZINC000008873128 554770019 /nfs/dbraw/zinc/77/00/19/554770019.db2.gz QGGYWLUMDHPCBF-UHFFFAOYSA-N 0 0 456.502 6.170 40 5 JKBBRN O=C(C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NNc1ccc([N+](=O)[O-])cc1 ZINC000008892890 554781289 /nfs/dbraw/zinc/78/12/89/554781289.db2.gz KHYAIPHXHMJFDV-SOFGYWHQSA-N 0 0 477.329 5.193 40 5 JKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008900363 554792523 /nfs/dbraw/zinc/79/25/23/554792523.db2.gz SITHURRFMJFKJC-VZUCSPMQSA-N 0 0 475.936 6.066 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)c(C)c1 ZINC000008900392 554792575 /nfs/dbraw/zinc/79/25/75/554792575.db2.gz NKOJBHPNHODUFE-UHFFFAOYSA-N 0 0 492.967 5.697 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000008900899 554793727 /nfs/dbraw/zinc/79/37/27/554793727.db2.gz ASCMMCVDKKVNIJ-YRNVUSSQSA-N 0 0 486.311 5.814 40 5 JKBBRN O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008901498 554794831 /nfs/dbraw/zinc/79/48/31/554794831.db2.gz LNJQSNMTOFNJHQ-UHFFFAOYSA-N 0 0 496.523 5.070 40 5 JKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008902984 554796982 /nfs/dbraw/zinc/79/69/82/554796982.db2.gz QMHYXYQCDOHMAO-UHFFFAOYSA-N 0 0 486.528 5.615 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)cc5[N+](=O)[O-])o4)ccc3o2)cc1OC ZINC000008903925 554798163 /nfs/dbraw/zinc/79/81/63/554798163.db2.gz CQWKEZFPCWRZGQ-UHFFFAOYSA-N 0 0 499.479 6.241 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1OC ZINC000008903916 554798271 /nfs/dbraw/zinc/79/82/71/554798271.db2.gz LPFQSGDOSBQULU-UHFFFAOYSA-N 0 0 485.452 5.933 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1cccc(C)c1 ZINC000008990015 554851553 /nfs/dbraw/zinc/85/15/53/554851553.db2.gz CQGZPXNXPOBWRM-MTJSOVHGSA-N 0 0 492.915 5.879 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000008990022 554851774 /nfs/dbraw/zinc/85/17/74/554851774.db2.gz BUWRQQSYIUOOGK-XKZIYDEJSA-N 0 0 472.497 5.534 40 5 JKBBRN CN(C)c1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000009008994 554863050 /nfs/dbraw/zinc/86/30/50/554863050.db2.gz WGCKGYUFBBLHEK-QYOOZWMWSA-N 0 0 473.960 5.302 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12 ZINC000009057526 554876567 /nfs/dbraw/zinc/87/65/67/554876567.db2.gz BEOVMVDBHMXKLM-UHFFFAOYSA-N 0 0 480.549 6.397 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000009059267 554877929 /nfs/dbraw/zinc/87/79/29/554877929.db2.gz CTLGHTIJBVJNGH-UHFFFAOYSA-N 0 0 497.573 5.159 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 ZINC000009059356 554878052 /nfs/dbraw/zinc/87/80/52/554878052.db2.gz KLKWDJVESHDJSG-UHFFFAOYSA-N 0 0 465.579 5.322 40 5 JKBBRN O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1)c1cc2ccccc2o1 ZINC000009062449 554879879 /nfs/dbraw/zinc/87/98/79/554879879.db2.gz WJUZHPOVDFQLTM-UHFFFAOYSA-N 0 0 485.481 5.364 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000009063985 554881982 /nfs/dbraw/zinc/88/19/82/554881982.db2.gz DAMSAHVLEUGMND-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000009064652 554883099 /nfs/dbraw/zinc/88/30/99/554883099.db2.gz PIRIDRRFKVGULW-UHFFFAOYSA-N 0 0 453.351 5.019 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1[N+](=O)[O-] ZINC000009064842 554883737 /nfs/dbraw/zinc/88/37/37/554883737.db2.gz RKNBICTUPPXXQV-SOFGYWHQSA-N 0 0 462.314 5.688 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009064804 554883786 /nfs/dbraw/zinc/88/37/86/554883786.db2.gz FVRSMVSVPRJOKP-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000009064843 554884170 /nfs/dbraw/zinc/88/41/70/554884170.db2.gz HKUUIGJZWWVKDC-SOFGYWHQSA-N 0 0 462.314 5.688 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-] ZINC000009064961 554884660 /nfs/dbraw/zinc/88/46/60/554884660.db2.gz FNQLWSZOJZURIR-UHFFFAOYSA-N 0 0 462.556 5.615 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3c4ccccc4cc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000009281856 555051288 /nfs/dbraw/zinc/05/12/88/555051288.db2.gz BRPVDHVWYDPSQO-DTXPUJKBSA-N 0 0 484.555 6.040 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3c4ccccc4cc4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 ZINC000009281858 555051292 /nfs/dbraw/zinc/05/12/92/555051292.db2.gz BRPVDHVWYDPSQO-JBOQNHBVSA-N 0 0 484.555 6.040 40 5 JKBBRN O=C(CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000013371950 555392560 /nfs/dbraw/zinc/39/25/60/555392560.db2.gz YQYGJLOYCQXVNJ-UHFFFAOYSA-N 0 0 471.966 5.877 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2cc(C)cc(C)c2)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013424269 555398414 /nfs/dbraw/zinc/39/84/14/555398414.db2.gz LTQADDDDIUPRPK-UHFFFAOYSA-N 0 0 481.530 5.181 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3ccccc3)c2C)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013500037 555435685 /nfs/dbraw/zinc/43/56/85/555435685.db2.gz GGYMVIWOQXZATH-UHFFFAOYSA-N 0 0 458.522 5.683 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)NCc3ccccc3)c2C)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013500038 555435692 /nfs/dbraw/zinc/43/56/92/555435692.db2.gz NLIZRPGWFLPYFW-UHFFFAOYSA-N 0 0 472.549 5.361 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3cccc(Cl)c3)c2C)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013500035 555435741 /nfs/dbraw/zinc/43/57/41/555435741.db2.gz LNIPPRKEGVNHEC-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)c3ccccc3Cl)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500042 555435908 /nfs/dbraw/zinc/43/59/08/555435908.db2.gz XRIUSXGZFXRRKU-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509737 555481801 /nfs/dbraw/zinc/48/18/01/555481801.db2.gz SBUZYJGJUJFRBP-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509728 555481819 /nfs/dbraw/zinc/48/18/19/555481819.db2.gz UJTMQYGDLJWVBM-UHFFFAOYSA-N 0 0 458.522 5.683 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013509778 555481825 /nfs/dbraw/zinc/48/18/25/555481825.db2.gz RGZDFNXWDLBEBZ-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc32)cc1Cl ZINC000013511028 555483111 /nfs/dbraw/zinc/48/31/11/555483111.db2.gz SQKCIYWAQGCVAN-UHFFFAOYSA-N 0 0 471.951 5.354 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000013563464 555498368 /nfs/dbraw/zinc/49/83/68/555498368.db2.gz VKUSKNXDPNRQGL-UHFFFAOYSA-N 0 0 492.465 5.920 40 5 JKBBRN COc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019894510 555532931 /nfs/dbraw/zinc/53/29/31/555532931.db2.gz VAXKFRDHVDMREY-UHFFFAOYSA-N 0 0 487.581 6.944 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000013616009 555536353 /nfs/dbraw/zinc/53/63/53/555536353.db2.gz ZPDAARZJBBSGGY-UUYOSTAYSA-N 0 0 492.915 5.879 40 5 JKBBRN O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1 ZINC000013633050 555543207 /nfs/dbraw/zinc/54/32/07/555543207.db2.gz YRXCBOUARZVVRM-UHFFFAOYSA-N 0 0 475.332 5.069 40 5 JKBBRN CC(C)(C)CNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)ccc1[N+](=O)[O-] ZINC000013633081 555543256 /nfs/dbraw/zinc/54/32/56/555543256.db2.gz GAJOIVHEOBLJLQ-UHFFFAOYSA-N 0 0 465.381 5.322 40 5 JKBBRN CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccc(Cl)cc1 ZINC000019928808 555544819 /nfs/dbraw/zinc/54/48/19/555544819.db2.gz VBYOJRGGYYJLHN-UHFFFAOYSA-N 0 0 486.768 5.564 40 5 JKBBRN O=C1[C@@H]2[C@H](c3ccccc3[N+](=O)[O-])N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc(-c2ccccc2)c1 ZINC000013810922 555626509 /nfs/dbraw/zinc/62/65/09/555626509.db2.gz JRARFLXUKCVKRZ-PVHODMMVSA-N 0 0 491.503 5.313 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000013817491 555629739 /nfs/dbraw/zinc/62/97/39/555629739.db2.gz QEKIEKMHKQUNFP-WWQFTLRMSA-N 0 0 499.592 5.030 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)oc2c(Br)c1 ZINC000010119756 555631194 /nfs/dbraw/zinc/63/11/94/555631194.db2.gz FYPAZJYPANXWTO-UHFFFAOYSA-N 0 0 496.317 5.989 40 5 JKBBRN CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000013842738 555631961 /nfs/dbraw/zinc/63/19/61/555631961.db2.gz QJLNFHHGMQTZEA-UHFFFAOYSA-N 0 0 489.985 5.293 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1[N+](=O)[O-] ZINC000010120188 555632411 /nfs/dbraw/zinc/63/24/11/555632411.db2.gz RRLUOLWRAUMIDE-UHFFFAOYSA-N 0 0 493.472 5.080 40 5 JKBBRN Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000020104276 555636532 /nfs/dbraw/zinc/63/65/32/555636532.db2.gz MBSHKHGISOECPR-UHFFFAOYSA-N 0 0 467.547 5.254 40 5 JKBBRN COc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1-c1ccc(CO)o1 ZINC000020139634 555662708 /nfs/dbraw/zinc/66/27/08/555662708.db2.gz PXKHVCUAVCVJGM-UHFFFAOYSA-N 0 0 458.879 5.476 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020145344 555664326 /nfs/dbraw/zinc/66/43/26/555664326.db2.gz FXMQCWZQRYNLOU-XYOKQWHBSA-N 0 0 464.861 5.912 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020151014 555667578 /nfs/dbraw/zinc/66/75/78/555667578.db2.gz HOORISRRNKUIIF-IZZDOVSWSA-N 0 0 478.888 6.221 40 5 JKBBRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)ccc1-c1ccc(CO)o1 ZINC000020151059 555667931 /nfs/dbraw/zinc/66/79/31/555667931.db2.gz TXWDPFJVKSMRDA-KPKJPENVSA-N 0 0 458.470 5.876 40 5 JKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000020151051 555667940 /nfs/dbraw/zinc/66/79/40/555667940.db2.gz AVXMSKNPJKHAHB-XYOKQWHBSA-N 0 0 458.470 5.876 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132048 555700000 /nfs/dbraw/zinc/70/00/00/555700000.db2.gz OAMGFWGJTNNKEZ-YDZHTSKRSA-N 0 0 490.924 6.898 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc21 ZINC000014132369 555700004 /nfs/dbraw/zinc/70/00/04/555700004.db2.gz GVEXFMBTPDCYRV-YDZHTSKRSA-N 0 0 490.924 6.898 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000014152781 555708465 /nfs/dbraw/zinc/70/84/65/555708465.db2.gz XUEOZXVZDDPECT-UHFFFAOYSA-N 0 0 498.870 5.463 40 5 JKBBRN CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)c1cccc(Cl)c1 ZINC000010433934 555708609 /nfs/dbraw/zinc/70/86/09/555708609.db2.gz APLOYJMEZNUSDX-UHFFFAOYSA-N 0 0 494.356 5.120 40 5 JKBBRN Cc1cc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000014272013 555768459 /nfs/dbraw/zinc/76/84/59/555768459.db2.gz NLWHFXNVIKVATJ-UHFFFAOYSA-N 0 0 458.326 6.739 40 5 JKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000014272125 555768775 /nfs/dbraw/zinc/76/87/75/555768775.db2.gz JMPRQMDSUURCOE-UHFFFAOYSA-N 0 0 458.257 5.727 40 5 JKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014272071 555768779 /nfs/dbraw/zinc/76/87/79/555768779.db2.gz NDSQUBDLCKYQKF-UHFFFAOYSA-N 0 0 455.495 6.692 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000014272247 555769418 /nfs/dbraw/zinc/76/94/18/555769418.db2.gz VRXCEWPXYHSQQY-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 ZINC000014272554 555770200 /nfs/dbraw/zinc/77/02/00/555770200.db2.gz BGBWFSSICNTUKU-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 ZINC000014272534 555770211 /nfs/dbraw/zinc/77/02/11/555770211.db2.gz TVVSGJYJMULAAD-UHFFFAOYSA-N 0 0 453.454 6.532 40 5 JKBBRN CCOc1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OCC)c1OCC ZINC000014272503 555770240 /nfs/dbraw/zinc/77/02/40/555770240.db2.gz DJDVUDLPLULNRD-UHFFFAOYSA-N 0 0 457.508 5.167 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1cc2ccccc2oc1=O ZINC000014273188 555772453 /nfs/dbraw/zinc/77/24/53/555772453.db2.gz GWSIHSPIBMDIQA-UHFFFAOYSA-N 0 0 466.449 6.189 40 5 JKBBRN COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1 ZINC000014274113 555775984 /nfs/dbraw/zinc/77/59/84/555775984.db2.gz KSKPKGSMYJPCRW-UHFFFAOYSA-N 0 0 480.527 5.114 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000014274560 555777131 /nfs/dbraw/zinc/77/71/31/555777131.db2.gz JKKQXHNKVPUKQE-XBXARRHUSA-N 0 0 496.759 6.341 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000014274988 555778948 /nfs/dbraw/zinc/77/89/48/555778948.db2.gz HEIAHQLDYRJGSZ-ZZXKWVIFSA-N 0 0 496.759 6.341 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000014274974 555778991 /nfs/dbraw/zinc/77/89/91/555778991.db2.gz GYEKNUIYSVHLAG-ZZXKWVIFSA-N 0 0 496.759 6.341 40 5 JKBBRN CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)nc2c1 ZINC000014275084 555779269 /nfs/dbraw/zinc/77/92/69/555779269.db2.gz WTGPCJBTMSFNRS-UHFFFAOYSA-N 0 0 476.514 5.106 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014275379 555780660 /nfs/dbraw/zinc/78/06/60/555780660.db2.gz DYMODXPROMYAAA-UHFFFAOYSA-N 0 0 482.974 5.960 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353418 555781187 /nfs/dbraw/zinc/78/11/87/555781187.db2.gz YZSWLCCPJZNIMM-ZUFYJRLNSA-N 0 0 475.932 7.222 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353420 555781226 /nfs/dbraw/zinc/78/12/26/555781226.db2.gz YZSWLCCPJZNIMM-RBBXRFMQSA-N 0 0 475.932 7.222 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014275946 555782366 /nfs/dbraw/zinc/78/23/66/555782366.db2.gz ITOXWJHCOGAHLL-UHFFFAOYSA-N 0 0 484.748 6.250 40 5 JKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277922 555787138 /nfs/dbraw/zinc/78/71/38/555787138.db2.gz VIGKZFGPHUGOSD-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014278051 555787363 /nfs/dbraw/zinc/78/73/63/555787363.db2.gz XECMPOMMBLYOHV-UHFFFAOYSA-N 0 0 497.507 7.047 40 5 JKBBRN Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014278086 555787752 /nfs/dbraw/zinc/78/77/52/555787752.db2.gz VMVGWMDOCYMZCX-UHFFFAOYSA-N 0 0 484.556 6.687 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014278303 555788207 /nfs/dbraw/zinc/78/82/07/555788207.db2.gz AARBFMRADRJPST-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)ccc3o2)cc1Cl ZINC000014278343 555788289 /nfs/dbraw/zinc/78/82/89/555788289.db2.gz ZMDRJKLJINJBFI-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014278416 555788513 /nfs/dbraw/zinc/78/85/13/555788513.db2.gz HWWBTEGLGDAIGA-UHFFFAOYSA-N 0 0 484.560 5.524 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000014278463 555788628 /nfs/dbraw/zinc/78/86/28/555788628.db2.gz MTRGGIHCEZUAPC-UHFFFAOYSA-N 0 0 498.587 5.832 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C(C)C)cc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020411286 555788745 /nfs/dbraw/zinc/78/87/45/555788745.db2.gz PCVLAQOQLFUIGT-UHFFFAOYSA-N 0 0 497.507 7.047 40 5 JKBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000020411816 555789249 /nfs/dbraw/zinc/78/92/49/555789249.db2.gz FFIZMZTYHDREEN-FMIVXFBMSA-N 0 0 477.498 5.682 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1OC ZINC000020411977 555789533 /nfs/dbraw/zinc/78/95/33/555789533.db2.gz KCWSDRKCHBXPHY-UHFFFAOYSA-N 0 0 453.838 5.326 40 5 JKBBRN O=C1C(=Cc2ccccc2[N+](=O)[O-])N[C@@H](c2ccccc2)N1c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000020470342 555791795 /nfs/dbraw/zinc/79/17/95/555791795.db2.gz AKMPZALAOLBPLF-JJYYRRLASA-N 0 0 485.283 5.486 40 5 JKBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-] ZINC000020528935 555793593 /nfs/dbraw/zinc/79/35/93/555793593.db2.gz ABUYJAUIKBOWBU-UHFFFAOYSA-N 0 0 452.206 5.331 40 5 JKBBRN O=C(Nc1ccc2ccccc2c1)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 ZINC000020534111 555805784 /nfs/dbraw/zinc/80/57/84/555805784.db2.gz XOAOMNJEZGNAJN-UHFFFAOYSA-N 0 0 487.471 5.954 40 5 JKBBRN COc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC ZINC000014406248 555808205 /nfs/dbraw/zinc/80/82/05/555808205.db2.gz JZHYXPVWNPYASX-UHFFFAOYSA-N 0 0 491.525 5.663 40 5 JKBBRN COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 ZINC000021579303 555851926 /nfs/dbraw/zinc/85/19/26/555851926.db2.gz ZQPLKZPSQVYITF-SDNWHVSQSA-N 0 0 481.464 6.324 40 5 JKBBRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595434 555853353 /nfs/dbraw/zinc/85/33/53/555853353.db2.gz RVMWOFVUEIATLR-UHFFFAOYSA-N 0 0 465.943 6.992 40 5 JKBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595861 555853998 /nfs/dbraw/zinc/85/39/98/555853998.db2.gz JICNMMGQZCVWOM-UHFFFAOYSA-N 0 0 463.906 5.758 40 5 JKBBRN CCCCCCSc1nnc2c(n1)O[C@@H](c1cc([N+](=O)[O-])ccc1OC)Nc1ccccc1-2 ZINC000015015447 555855864 /nfs/dbraw/zinc/85/58/64/555855864.db2.gz CHEFFJPVOZGECD-NRFANRHFSA-N 0 0 467.551 5.631 40 5 JKBBRN CC(C)(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)cc1Oc1ccc([N+](=O)[O-])cc1 ZINC000015304605 555894723 /nfs/dbraw/zinc/89/47/23/555894723.db2.gz IPFBMALLLBUWMW-UHFFFAOYSA-N 0 0 464.518 7.683 40 5 JKBBRN O=C(c1ccc(Br)cc1)[C@H]1[C@@H](c2ccccc2)[C@@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N12 ZINC000012062439 555899637 /nfs/dbraw/zinc/89/96/37/555899637.db2.gz NVSRYIFVBUTHEE-NEWJYFPISA-N 0 0 475.342 5.345 40 5 JKBBRN CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257620 555905306 /nfs/dbraw/zinc/90/53/06/555905306.db2.gz HDYWTWAHMQGQQL-CQSZACIVSA-N 0 0 493.347 5.466 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000022535820 555933299 /nfs/dbraw/zinc/93/32/99/555933299.db2.gz YGCYTXZCFPHGAQ-UHFFFAOYSA-N 0 0 453.907 6.176 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3C)o2)cc1Cl ZINC000022537808 555934164 /nfs/dbraw/zinc/93/41/64/555934164.db2.gz GQUQDLGQZGRNLR-PKNBQFBNSA-N 0 0 455.923 5.651 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1Cl ZINC000022537786 555934277 /nfs/dbraw/zinc/93/42/77/555934277.db2.gz PBCFYCKQNDLXLF-CSKARUKUSA-N 0 0 455.923 5.651 40 5 JKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000022562646 555934582 /nfs/dbraw/zinc/93/45/82/555934582.db2.gz LWXZZBUNDDVZQG-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022567621 555936560 /nfs/dbraw/zinc/93/65/60/555936560.db2.gz WCWNZSZCLWMULA-ZZXKWVIFSA-N 0 0 460.298 6.423 40 5 JKBBRN O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022572884 555938134 /nfs/dbraw/zinc/93/81/34/555938134.db2.gz DTUMUYFXXQVJPD-UHFFFAOYSA-N 0 0 463.843 5.383 40 5 JKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c1 ZINC000022708173 555944787 /nfs/dbraw/zinc/94/47/87/555944787.db2.gz UKTYSQHYLFMRHQ-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000022709042 555945126 /nfs/dbraw/zinc/94/51/26/555945126.db2.gz WVFOKGOMIMKQLV-UHFFFAOYSA-N 0 0 473.312 5.925 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022709053 555945187 /nfs/dbraw/zinc/94/51/87/555945187.db2.gz CPLRFGRMDQYURN-UHFFFAOYSA-N 0 0 473.312 5.925 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000022712246 555946297 /nfs/dbraw/zinc/94/62/97/555946297.db2.gz DKASYUGUCOQIFS-RMKNXTFCSA-N 0 0 476.341 5.996 40 5 JKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022714101 555946818 /nfs/dbraw/zinc/94/68/18/555946818.db2.gz YDKNSMYNVXFDQM-WEVVVXLNSA-N 0 0 477.904 6.334 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022715397 555947211 /nfs/dbraw/zinc/94/72/11/555947211.db2.gz FCGBZVCMHRGSNN-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000022748830 555952130 /nfs/dbraw/zinc/95/21/30/555952130.db2.gz SXEVMXWNSHKMLG-UHFFFAOYSA-N 0 0 490.585 5.580 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022751527 555952637 /nfs/dbraw/zinc/95/26/37/555952637.db2.gz WEEHAHVVNPSWEX-UHFFFAOYSA-N 0 0 493.353 5.898 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000022751521 555952693 /nfs/dbraw/zinc/95/26/93/555952693.db2.gz FRHVGDWOYSRXCA-UHFFFAOYSA-N 0 0 493.353 5.898 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022751524 555952755 /nfs/dbraw/zinc/95/27/55/555952755.db2.gz IYNLGTGGOADIAR-UHFFFAOYSA-N 0 0 493.353 5.898 40 5 JKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000022819742 555955011 /nfs/dbraw/zinc/95/50/11/555955011.db2.gz YMQKVIWLKCGFIU-UHFFFAOYSA-N 0 0 498.973 5.660 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4ccccc4)nc4ccc(Cl)cc43)o2)cc1 ZINC000012486881 555987993 /nfs/dbraw/zinc/98/79/93/555987993.db2.gz HAHVULGFIOCQRC-UHFFFAOYSA-N 0 0 475.917 6.201 40 5 JKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000012834098 556116440 /nfs/dbraw/zinc/11/64/40/556116440.db2.gz LNIDATCJFOBVCD-UHFFFAOYSA-N 0 0 481.939 6.264 40 5 JKBBRN COc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000016227819 556130514 /nfs/dbraw/zinc/13/05/14/556130514.db2.gz QZFFVRBMHWGQNO-UHFFFAOYSA-N 0 0 472.501 5.654 40 5 JKBBRN COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016227645 556130530 /nfs/dbraw/zinc/13/05/30/556130530.db2.gz YTWYFZDBYWRXDD-WYMLVPIESA-N 0 0 484.472 5.959 40 5 JKBBRN Cc1c(C(=O)Nc2cc(Oc3cccnc3)cc([N+](=O)[O-])c2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000016249541 556131093 /nfs/dbraw/zinc/13/10/93/556131093.db2.gz XSPXMGWKLPUWLH-UHFFFAOYSA-N 0 0 491.507 6.196 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4cccc5ccccc54)nc3c2)cccc1[N+](=O)[O-] ZINC000016250149 556131364 /nfs/dbraw/zinc/13/13/64/556131364.db2.gz RUWOGNFYWGREAP-UHFFFAOYSA-N 0 0 482.521 5.991 40 5 JKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000016284398 556133034 /nfs/dbraw/zinc/13/30/34/556133034.db2.gz QAANQZNWPWEHKD-UHFFFAOYSA-N 0 0 457.877 5.696 40 5 JKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016284424 556133048 /nfs/dbraw/zinc/13/30/48/556133048.db2.gz UAKSGELXNBVFJB-UHFFFAOYSA-N 0 0 457.877 5.696 40 5 JKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000016284454 556133343 /nfs/dbraw/zinc/13/33/43/556133343.db2.gz PRILHVPWMPZUHG-UHFFFAOYSA-N 0 0 457.877 5.696 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C1c2ccccc2Oc2ccccc21 ZINC000024522316 556133350 /nfs/dbraw/zinc/13/33/50/556133350.db2.gz VFZIUBUZNNDKBL-UHFFFAOYSA-N 0 0 453.450 6.368 40 5 JKBBRN O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)C1c2ccccc2Oc2ccccc21 ZINC000024522323 556133359 /nfs/dbraw/zinc/13/33/59/556133359.db2.gz SULUSNOEJKUBQT-UHFFFAOYSA-N 0 0 487.895 7.022 40 5 JKBBRN O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000024522292 556133376 /nfs/dbraw/zinc/13/33/76/556133376.db2.gz WDFNJVBFMBJSSU-UHFFFAOYSA-N 0 0 496.910 6.903 40 5 JKBBRN CC(C)OC(=O)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000024522753 556133676 /nfs/dbraw/zinc/13/36/76/556133676.db2.gz JPCJOTJLMDAYLB-NTCAYCPXSA-N 0 0 469.497 5.853 40 5 JKBBRN Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)CC2=O)cc1 ZINC000016292910 556133798 /nfs/dbraw/zinc/13/37/98/556133798.db2.gz HOYWOQPDBJTLCT-GOSISDBHSA-N 0 0 480.904 5.445 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2)cc1 ZINC000016323158 556135415 /nfs/dbraw/zinc/13/54/15/556135415.db2.gz FALGSWBYWCQHBU-UHFFFAOYSA-N 0 0 483.524 6.657 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5ccc(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1 ZINC000016348640 556136391 /nfs/dbraw/zinc/13/63/91/556136391.db2.gz FTTYLAAPKUHYDW-UHFFFAOYSA-N 0 0 483.480 5.910 40 5 JKBBRN O=c1c2cc(Cl)ccc2nc(/C=C/c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl ZINC000016384086 556136667 /nfs/dbraw/zinc/13/66/67/556136667.db2.gz DASOUXDTGUOCLD-IZZDOVSWSA-N 0 0 472.715 6.425 40 5 JKBBRN O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccc(O)cc3)n2)c1 ZINC000016399727 556137458 /nfs/dbraw/zinc/13/74/58/556137458.db2.gz QWDXCJLYFZYBKZ-FIFLTTCUSA-N 0 0 481.468 6.083 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 ZINC000016493637 556141493 /nfs/dbraw/zinc/14/14/93/556141493.db2.gz VJNPYKCYRFWXAE-UHFFFAOYSA-N 0 0 493.475 6.461 40 5 JKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000016545090 556142652 /nfs/dbraw/zinc/14/26/52/556142652.db2.gz OMUYHEYUPYBKCF-UHFFFAOYSA-N 0 0 468.494 5.683 40 5 JKBBRN C[C@H](NC(=O)c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000016576091 556144886 /nfs/dbraw/zinc/14/48/86/556144886.db2.gz JVBIOQGKSFOPJA-SBNSQYLKSA-N 0 0 465.506 5.630 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)c3)nc2c1 ZINC000016610766 556146681 /nfs/dbraw/zinc/14/66/81/556146681.db2.gz XDOGACSGHWBHGZ-CQSZACIVSA-N 0 0 494.345 6.931 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016611163 556147426 /nfs/dbraw/zinc/14/74/26/556147426.db2.gz FXPOVZKWPPQCCB-HNNXBMFYSA-N 0 0 474.542 6.043 40 5 JKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000016637159 556149033 /nfs/dbraw/zinc/14/90/33/556149033.db2.gz PEROJGMHKBZTEH-UHFFFAOYSA-N 0 0 486.937 5.374 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000016691999 556153417 /nfs/dbraw/zinc/15/34/17/556153417.db2.gz RXWSKHHQUJIXGV-UHFFFAOYSA-N 0 0 476.514 5.237 40 5 JKBBRN O=C(CC(CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000016806102 556162129 /nfs/dbraw/zinc/16/21/29/556162129.db2.gz PNJOHGZNAMMXLE-UHFFFAOYSA-N 0 0 452.850 5.786 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc3ccccc23)cc1/C=C/c1cccc2ccccc12 ZINC000016926353 556180703 /nfs/dbraw/zinc/18/07/03/556180703.db2.gz RGHATJSZJXJOTP-JRDMOELTSA-N 0 0 472.500 8.150 40 5 JKBBRN COc1ccc(/C=C/c2cc(/C=C\c3ccc(OC)c(OC)c3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000016926299 556180742 /nfs/dbraw/zinc/18/07/42/556180742.db2.gz LXHQHTVWJSTJGP-VTBWALSUSA-N 0 0 492.484 5.878 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1[C@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000017108333 556217233 /nfs/dbraw/zinc/21/72/33/556217233.db2.gz ZDHLPGACZRGMKP-RUZDIDTESA-N 0 0 485.521 6.637 40 5 JKBBRN CC(C)(C)[C@@H]1CC[C@@H]2c3c4ccccc4[nH]c3[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]2C1 ZINC000017253645 556248266 /nfs/dbraw/zinc/24/82/66/556248266.db2.gz DZQLBFSYEPOYJZ-PRTDMIOVSA-N 0 0 471.557 5.909 40 5 JKBBRN Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc54)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018037554 556278315 /nfs/dbraw/zinc/27/83/15/556278315.db2.gz TZGJHJKWADXIOC-ZNZIZOMTSA-N 0 0 479.492 5.108 40 5 JKBBRN Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1nc2c(s1)CCCC2 ZINC000013086148 556285920 /nfs/dbraw/zinc/28/59/20/556285920.db2.gz LMAVMYJIMICQND-UHFFFAOYSA-N 0 0 491.667 6.076 40 5 JKBBRN Cc1cc(NC(=O)COc2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032112008 556420883 /nfs/dbraw/zinc/42/08/83/556420883.db2.gz SEQAIGUJZNKTHI-UHFFFAOYSA-N 0 0 479.876 5.573 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1C ZINC000032116631 556424440 /nfs/dbraw/zinc/42/44/40/556424440.db2.gz QYLINNXWUIFSEP-UHFFFAOYSA-N 0 0 460.515 5.455 40 5 JKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1 ZINC000032118740 556425747 /nfs/dbraw/zinc/42/57/47/556425747.db2.gz GFXIBAROOVOOHR-UHFFFAOYSA-N 0 0 458.565 5.073 40 5 JKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 ZINC000032121148 556426016 /nfs/dbraw/zinc/42/60/16/556426016.db2.gz LSVANRFLUNGHLV-BKUYFWCQSA-N 0 0 482.970 6.636 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124787 556427784 /nfs/dbraw/zinc/42/77/84/556427784.db2.gz SEKVAKKOOYORII-CIAFOILYSA-N 0 0 482.970 6.949 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000032125450 556429802 /nfs/dbraw/zinc/42/98/02/556429802.db2.gz XLWQWTPLIRNOBJ-CYBMUJFWSA-N 0 0 484.339 7.476 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-] ZINC000032126709 556430955 /nfs/dbraw/zinc/43/09/55/556430955.db2.gz UQECTQIPMNYYDV-UHFFFAOYSA-N 0 0 453.454 6.207 40 5 JKBBRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032127537 556432194 /nfs/dbraw/zinc/43/21/94/556432194.db2.gz LJBSWIULUXCJLE-UHFFFAOYSA-N 0 0 475.460 7.069 40 5 JKBBRN COc1ccc([C@H]2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2N=c2[nH]c3ccccc3s2)cc1 ZINC000032597632 556449449 /nfs/dbraw/zinc/44/94/49/556449449.db2.gz LSLKQMRSFGRNGQ-LJJBLSSYSA-N 0 0 490.566 5.855 40 5 JKBBRN O=C(CN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000008686612 562952852 /nfs/dbraw/zinc/95/28/52/562952852.db2.gz XANGFEQTZHHXCL-UHFFFAOYSA-N 0 0 492.746 5.836 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5cccc(F)c5)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000057313123 569596484 /nfs/dbraw/zinc/59/64/84/569596484.db2.gz IFCMHUMTOADAOE-UHFFFAOYSA-N 0 0 474.492 6.031 40 5 JKBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000057313190 569596603 /nfs/dbraw/zinc/59/66/03/569596603.db2.gz NNACKEVLNAQFBJ-UHFFFAOYSA-N 0 0 493.932 5.848 40 5 JKBBRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1OC ZINC000057313382 569596624 /nfs/dbraw/zinc/59/66/24/569596624.db2.gz NNEOSDFUPIZWCH-UHFFFAOYSA-N 0 0 468.554 5.221 40 5 JKBBRN O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313474 569596669 /nfs/dbraw/zinc/59/66/69/569596669.db2.gz GNQZYUPDDQYQBJ-UHFFFAOYSA-N 0 0 484.324 6.103 40 5 JKBBRN COc1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000057313630 569596734 /nfs/dbraw/zinc/59/67/34/569596734.db2.gz FAEWADCLERLTCF-UHFFFAOYSA-N 0 0 479.905 5.458 40 5 JKBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)CC1 ZINC000057313796 569596778 /nfs/dbraw/zinc/59/67/78/569596778.db2.gz NOYVTYBOIYDITR-UHFFFAOYSA-N 0 0 486.981 5.020 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000057315818 569597203 /nfs/dbraw/zinc/59/72/03/569597203.db2.gz BNRNHIASVGEMPD-ZRDIBKRKSA-N 0 0 451.891 6.284 40 5 JKBBRN CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(=O)OCC)c1C ZINC000057315972 569597384 /nfs/dbraw/zinc/59/73/84/569597384.db2.gz LBKLAQHUJCHZPA-ACCUITESSA-N 0 0 498.513 5.230 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Br)cc2)o1 ZINC000057317066 569598356 /nfs/dbraw/zinc/59/83/56/569598356.db2.gz ZLMAIROEXLFQAO-WTDSWWLTSA-N 0 0 461.699 5.600 40 5 JKBBRN O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057333733 569599105 /nfs/dbraw/zinc/59/91/05/569599105.db2.gz HLVZTXUICJCBRH-UHFFFAOYSA-N 0 0 464.890 5.596 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294148 569602462 /nfs/dbraw/zinc/60/24/62/569602462.db2.gz MOERZROHZRESTN-UHFFFAOYSA-N 0 0 467.865 6.663 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 ZINC000059294157 569602482 /nfs/dbraw/zinc/60/24/82/569602482.db2.gz JGSHLRALYYNPJW-SDNWHVSQSA-N 0 0 485.883 6.968 40 5 JKBBRN O=C(Nc1ccc(I)cc1F)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294438 569602505 /nfs/dbraw/zinc/60/25/05/569602505.db2.gz UXQWRQICVDHYKU-UHFFFAOYSA-N 0 0 476.654 5.459 40 5 JKBBRN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059294621 569602630 /nfs/dbraw/zinc/60/26/30/569602630.db2.gz COZQGSXPABADCA-FYWRMAATSA-N 0 0 464.481 6.358 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1 ZINC000059294462 569602631 /nfs/dbraw/zinc/60/26/31/569602631.db2.gz LEUFSCIUFUYEKZ-KRWDZBQOSA-N 0 0 498.649 5.395 40 5 JKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1Cl ZINC000059294488 569602656 /nfs/dbraw/zinc/60/26/56/569602656.db2.gz AJAXGDRWDPUETK-UHFFFAOYSA-N 0 0 466.346 5.897 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000059418214 569603078 /nfs/dbraw/zinc/60/30/78/569603078.db2.gz MSKAOOMHNAZUDZ-VCHYOVAHSA-N 0 0 461.282 6.403 40 5 JKBBRN COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059428136 569603635 /nfs/dbraw/zinc/60/36/35/569603635.db2.gz IFZNOIVAXSXZAF-UHFFFAOYSA-N 0 0 458.586 5.947 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463603 569604320 /nfs/dbraw/zinc/60/43/20/569604320.db2.gz HQHHIKLWIFMASS-UHFFFAOYSA-N 0 0 494.370 6.709 40 5 JKBBRN Cc1ccc(OCc2nnc(SCc3c[nH]c4cc([N+](=O)[O-])ccc34)n2-c2ccccc2)cc1C ZINC000059474751 569604533 /nfs/dbraw/zinc/60/45/33/569604533.db2.gz PXWXDJXHANHUDN-UHFFFAOYSA-N 0 0 485.569 6.145 40 5 JKBBRN O=[N+]([O-])c1ccc(N2CCC(CCCC3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)cc1 ZINC000059474634 569604562 /nfs/dbraw/zinc/60/45/62/569604562.db2.gz OYJOQXTWLLBJOL-UHFFFAOYSA-N 0 0 452.555 5.806 40 5 JKBBRN O=C(CCCCCCCCCCC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059475104 569604644 /nfs/dbraw/zinc/60/46/44/569604644.db2.gz BXUYTYGFYPMUFN-UHFFFAOYSA-N 0 0 470.526 5.981 40 5 JKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000059476557 569604831 /nfs/dbraw/zinc/60/48/31/569604831.db2.gz GSNIFNYWTSAYCE-UHFFFAOYSA-N 0 0 450.834 5.039 40 5 JKBBRN CC1=NN(c2ccccc2)[C@@]2(SC=NN2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000059482984 569604840 /nfs/dbraw/zinc/60/48/40/569604840.db2.gz IWKFZBLSNGJXQH-QFIPXVFZSA-N 0 0 460.475 5.054 40 5 JKBBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H](Nc1ccccn1)n1nnc2ccccc21 ZINC000059488684 569605534 /nfs/dbraw/zinc/60/55/34/569605534.db2.gz ZVPJMVXWLFLHHV-SANMLTNESA-N 0 0 473.581 5.512 40 5 JKBBRN O=C(CSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 ZINC000059497612 569606130 /nfs/dbraw/zinc/60/61/30/569606130.db2.gz IZKDYAQGDSVQIG-UHFFFAOYSA-N 0 0 451.382 5.406 40 5 JKBBRN O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000059559199 569606932 /nfs/dbraw/zinc/60/69/32/569606932.db2.gz UTNALBKSIZADGJ-UHFFFAOYSA-N 0 0 485.371 5.476 40 5 JKBBRN COc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000033392835 569625624 /nfs/dbraw/zinc/62/56/24/569625624.db2.gz HAAKENQTTZQNRC-UHFFFAOYSA-N 0 0 457.280 5.197 40 5 JKBBRN COc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000033422673 569626115 /nfs/dbraw/zinc/62/61/15/569626115.db2.gz MOUSASJAMYYXPS-UHFFFAOYSA-N 0 0 457.280 5.197 40 5 JKBBRN O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033618779 569628954 /nfs/dbraw/zinc/62/89/54/569628954.db2.gz BNMHBHITZZJNRC-UHFFFAOYSA-N 0 0 470.304 5.993 40 5 JKBBRN O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033629531 569629196 /nfs/dbraw/zinc/62/91/96/569629196.db2.gz SUUKEAKMUNAYMD-UHFFFAOYSA-N 0 0 487.855 5.561 40 5 JKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000033664320 569630239 /nfs/dbraw/zinc/63/02/39/569630239.db2.gz XBXQTWRFSJGMEX-UHFFFAOYSA-N 0 0 455.253 5.927 40 5 JKBBRN CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccc(C)cc4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000035147432 569675976 /nfs/dbraw/zinc/67/59/76/569675976.db2.gz BXCNNDUMKQHOIO-RUZDIDTESA-N 0 0 482.496 5.220 40 5 JKBBRN CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000035167593 569677226 /nfs/dbraw/zinc/67/72/26/569677226.db2.gz FIFCNKLGGVAXQE-BQYQJAHWSA-N 0 0 457.118 5.437 40 5 JKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000035272017 569679341 /nfs/dbraw/zinc/67/93/41/569679341.db2.gz SJGAMNFNGRJZQJ-UHFFFAOYSA-N 0 0 489.340 5.281 40 5 JKBBRN COc1cc2c3c(C)nn(Cc4ccccc4)c3nc(-c3cccc([N+](=O)[O-])c3)c2cc1OC ZINC000070503667 569695332 /nfs/dbraw/zinc/69/53/32/569695332.db2.gz GGPSNVWSZXLBQV-UHFFFAOYSA-N 0 0 454.486 5.534 40 5 JKBBRN COc1cc2c3c(C)nn(Cc4ccccc4)c3nc(-c3ccc([N+](=O)[O-])cc3)c2cc1OC ZINC000070503666 569695384 /nfs/dbraw/zinc/69/53/84/569695384.db2.gz XFZZYGSJFWDXDW-UHFFFAOYSA-N 0 0 454.486 5.534 40 5 JKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229349 569700602 /nfs/dbraw/zinc/70/06/02/569700602.db2.gz AIZNDLVENKOJSA-LBPRGKRZSA-N 0 0 452.736 5.642 40 5 JKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000072229225 569700638 /nfs/dbraw/zinc/70/06/38/569700638.db2.gz FUCUDLROURCKTQ-UHFFFAOYSA-N 0 0 452.736 6.008 40 5 JKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000072229264 569700645 /nfs/dbraw/zinc/70/06/45/569700645.db2.gz SDERUYVCQKOLRQ-UHFFFAOYSA-N 0 0 452.736 6.008 40 5 JKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-] ZINC000072229236 569700661 /nfs/dbraw/zinc/70/06/61/569700661.db2.gz QREBQPHRJNVCAG-GFCCVEGCSA-N 0 0 452.736 5.642 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072230006 569700726 /nfs/dbraw/zinc/70/07/26/569700726.db2.gz BKGQQHFIAWTQBC-XMMPIXPASA-N 0 0 465.937 5.573 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000072229998 569700741 /nfs/dbraw/zinc/70/07/41/569700741.db2.gz VYIZDDLGZKKIDW-XMMPIXPASA-N 0 0 465.937 5.573 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000072230005 569700760 /nfs/dbraw/zinc/70/07/60/569700760.db2.gz BKGQQHFIAWTQBC-DEOSSOPVSA-N 0 0 465.937 5.573 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072229996 569700776 /nfs/dbraw/zinc/70/07/76/569700776.db2.gz GZXKXHHTFBQBHN-HSZRJFAPSA-N 0 0 451.910 5.182 40 5 JKBBRN c1cc2c3c(cccc3c1)-c1c-2cc2ccc3c4c(cc5ccc1c2c53)-c1cccc2cccc-4c12 ZINC000090751166 569721075 /nfs/dbraw/zinc/72/10/75/569721075.db2.gz RDSBINQKWNJFOM-UHFFFAOYSA-N 0 0 450.540 10.185 40 5 JKBBRN c1cc2ccc3ccc4c5ccc6c7cccc8ccc9ccc%10c%11ccc%12c(c1)c2c3c4c%12c%11c5c6c%10c9c87 ZINC000095869732 569729265 /nfs/dbraw/zinc/72/92/65/569729265.db2.gz FGCAICAGHWDMNZ-UHFFFAOYSA-N 0 0 498.584 11.561 40 5 JKBBRN C[C@@H]1CCC[C@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)[C@@H]1C ZINC000036019146 569749657 /nfs/dbraw/zinc/74/96/57/569749657.db2.gz AASLOMJBKLCZLF-WKBIJGOZSA-N 0 0 486.612 5.060 40 5 JKBBRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@H](C)[C@@H]2C)c4=O)[C@@H]1C ZINC000036019149 569749660 /nfs/dbraw/zinc/74/96/60/569749660.db2.gz AASLOMJBKLCZLF-CCXHWNHHSA-N 0 0 486.612 5.060 40 5 JKBBRN O=[N+]([O-])c1ccc2o/c(=N\c3cccc(Br)c3)c(-c3nc4ccccc4[nH]3)cc2c1 ZINC000100480610 569761973 /nfs/dbraw/zinc/76/19/73/569761973.db2.gz DGAIJVYMNSJAGQ-GYHWCHFESA-N 0 0 461.275 5.879 40 5 JKBBRN Cc1c(OC(=O)[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)ccc2c3ccccc3c(=O)oc12 ZINC000100766581 569769336 /nfs/dbraw/zinc/76/93/36/569769336.db2.gz SZVPOKLXHVAKQG-HDICACEKSA-N 0 0 465.546 5.491 40 5 JKBBRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl ZINC000036408650 569775437 /nfs/dbraw/zinc/77/54/37/569775437.db2.gz HXLDLGPOKADBKW-ZFVVBOAOSA-N 0 0 466.793 5.890 40 5 JKBBRN CC1(C)c2ccccc2[N+](Cc2ccccc2)=C1/C=C/c1cc(Br)cc([N+](=O)[O-])c1[O-] ZINC000036610881 569777498 /nfs/dbraw/zinc/77/74/98/569777498.db2.gz WLDMOGXSEYHHOU-UHFFFAOYSA-O 0 0 478.366 6.353 40 5 JKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1[C@@H]([C@@H]3CC[C@H]1C3)[C@@H](c1ccc(OCc3ccccc3Cl)cc1)N2 ZINC000037073937 569781346 /nfs/dbraw/zinc/78/13/46/569781346.db2.gz CRYDTGWOULSLPD-WFCXHVSVSA-N 0 0 460.961 7.124 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000038752933 569806381 /nfs/dbraw/zinc/80/63/81/569806381.db2.gz FGSXUOUTGZCOTN-UHFFFAOYSA-N 0 0 462.571 5.995 40 5 JKBBRN Cc1ccc(NC(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000039389020 569809644 /nfs/dbraw/zinc/80/96/44/569809644.db2.gz NRMQZUKKOBNRNF-SFHVURJKSA-N 0 0 491.613 6.620 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106685521 569854583 /nfs/dbraw/zinc/85/45/83/569854583.db2.gz BYIVUGHLDBHVSC-BKUYFWCQSA-N 0 0 477.498 5.417 40 5 JKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(F)cc1 ZINC000106690400 569854630 /nfs/dbraw/zinc/85/46/30/569854630.db2.gz SZDZSYVUHGEJMR-ODLFYWEKSA-N 0 0 451.435 5.158 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106689359 569854660 /nfs/dbraw/zinc/85/46/60/569854660.db2.gz APDALGBHLRTKLX-NDENLUEZSA-N 0 0 481.461 5.166 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106688936 569854670 /nfs/dbraw/zinc/85/46/70/569854670.db2.gz SJUBYKOJONQONQ-NDENLUEZSA-N 0 0 497.916 5.681 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106696015 569854706 /nfs/dbraw/zinc/85/47/06/569854706.db2.gz JBDZEBKRSMQDHP-NDENLUEZSA-N 0 0 481.461 5.166 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106697162 569854740 /nfs/dbraw/zinc/85/47/40/569854740.db2.gz VFRNCGKQUIMHGS-MTJSOVHGSA-N 0 0 495.488 5.556 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1Cc1ccccc1F ZINC000106697612 569854749 /nfs/dbraw/zinc/85/47/49/569854749.db2.gz PFMKTWXKOILQQC-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106699836 569854797 /nfs/dbraw/zinc/85/47/97/569854797.db2.gz COVGGQQGCRKQNY-UUASQNMZSA-N 0 0 488.146 5.901 40 5 JKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000106701834 569854807 /nfs/dbraw/zinc/85/48/07/569854807.db2.gz HOMVZBYZFXKDEU-OYKKKHCWSA-N 0 0 490.537 5.727 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)cc1 ZINC000106702337 569854837 /nfs/dbraw/zinc/85/48/37/569854837.db2.gz AZPJAADVYDCRPO-UUYOSTAYSA-N 0 0 491.481 5.840 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106706539 569854906 /nfs/dbraw/zinc/85/49/06/569854906.db2.gz NTSIRWSSEWHJFL-XKZIYDEJSA-N 0 0 491.525 5.726 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000106708075 569854940 /nfs/dbraw/zinc/85/49/40/569854940.db2.gz SGYVRVMUVUAQND-UCQKPKSFSA-N 0 0 460.511 5.719 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000106708005 569854947 /nfs/dbraw/zinc/85/49/47/569854947.db2.gz QQBXFUDMEZNXRH-XKZIYDEJSA-N 0 0 491.525 5.726 40 5 JKBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Br ZINC000106731078 569855219 /nfs/dbraw/zinc/85/52/19/569855219.db2.gz PZBKKCNVQPRGFG-UNOMPAQXSA-N 0 0 484.331 5.385 40 5 JKBBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC ZINC000106729228 569855224 /nfs/dbraw/zinc/85/52/24/569855224.db2.gz PHLQZRZCVZFLJI-STZFKDTASA-N 0 0 456.520 5.409 40 5 JKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106734763 569855301 /nfs/dbraw/zinc/85/53/01/569855301.db2.gz UVNNFXNMFRJUJU-OCKHKDLRSA-N 0 0 485.880 5.811 40 5 JKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000106738930 569855338 /nfs/dbraw/zinc/85/53/38/569855338.db2.gz OLERYPMROPJMER-OYKKKHCWSA-N 0 0 490.537 5.727 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745845 569855431 /nfs/dbraw/zinc/85/54/31/569855431.db2.gz ZJXPIMQENWUTSI-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106743664 569855442 /nfs/dbraw/zinc/85/54/42/569855442.db2.gz GLURWXNINLRHQY-UUASQNMZSA-N 0 0 454.247 5.046 40 5 JKBBRN CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000107895189 569857781 /nfs/dbraw/zinc/85/77/81/569857781.db2.gz YABVAQKLXNNVLD-SFHVURJKSA-N 0 0 494.404 5.450 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107904307 569857847 /nfs/dbraw/zinc/85/78/47/569857847.db2.gz KWKFPWWVVMOASR-UHFFFAOYSA-N 0 0 469.828 5.654 40 5 JKBBRN O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Cl)c1 ZINC000108189762 569858989 /nfs/dbraw/zinc/85/89/89/569858989.db2.gz FIIYKVYPMPXNCR-UHFFFAOYSA-N 0 0 482.005 5.321 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000109029811 569860342 /nfs/dbraw/zinc/86/03/42/569860342.db2.gz FUKJAQDTVYOMCF-UHFFFAOYSA-N 0 0 460.751 5.897 40 5 JKBBRN CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000110396857 569860734 /nfs/dbraw/zinc/86/07/34/569860734.db2.gz MKKKMOIXVLZJDJ-STZFKDTASA-N 0 0 485.993 5.560 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113834170 569862160 /nfs/dbraw/zinc/86/21/60/569862160.db2.gz ZDZVLFYSCFECQV-HYARGMPZSA-N 0 0 462.483 5.423 40 5 JKBBRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)cc1 ZINC000113928922 569862301 /nfs/dbraw/zinc/86/23/01/569862301.db2.gz CTCXMAMCSNNZCY-NDEPHWFRSA-N 0 0 479.536 5.965 40 5 JKBBRN Brc1c2ccccc2c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2ccccc12 ZINC000117988520 569862831 /nfs/dbraw/zinc/86/28/31/569862831.db2.gz BQYDXENQXPPQLP-UHFFFAOYSA-N 0 0 485.424 9.757 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118927738 569863812 /nfs/dbraw/zinc/86/38/12/569863812.db2.gz IUOUNLSFGGCHFC-HTTNMUSBSA-N 0 0 466.106 7.293 40 5 JKBBRN C[C@@]12CCC[C@H]1[C@@H]1C[C@@H]3O[C@@]34C[C@@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@]4(C)[C@H]1CC2 ZINC000123424266 569864434 /nfs/dbraw/zinc/86/44/34/569864434.db2.gz UHBQQROSQQYOOK-WSZXCHJCSA-N 0 0 484.549 5.593 40 5 JKBBRN Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 ZINC000169706874 569871594 /nfs/dbraw/zinc/87/15/94/569871594.db2.gz HNYADDICHTXWIO-OWGSYBQFSA-N 0 0 480.611 5.884 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cccc2ccccc21 ZINC000209534835 569875932 /nfs/dbraw/zinc/87/59/32/569875932.db2.gz PVDXIMJHSHUFCZ-OEAKJJBVSA-N 0 0 456.479 6.245 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000210808601 569875966 /nfs/dbraw/zinc/87/59/66/569875966.db2.gz PSHBIAPSPWUTBW-BUVRLJJBSA-N 0 0 452.535 5.976 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214040889 569876249 /nfs/dbraw/zinc/87/62/49/569876249.db2.gz JSELAIRYRVLBOV-BUVRLJJBSA-N 0 0 490.537 5.809 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1Cl ZINC000214077529 569876281 /nfs/dbraw/zinc/87/62/81/569876281.db2.gz DYLAWZRXNWYDQP-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Cl ZINC000214104821 569876330 /nfs/dbraw/zinc/87/63/30/569876330.db2.gz DTHHWAKTRMPRQK-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1 ZINC000214146684 569876405 /nfs/dbraw/zinc/87/64/05/569876405.db2.gz DUPKTFXCZVUILX-UDWIEESQSA-N 0 0 453.907 5.335 40 5 JKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1 ZINC000214208859 569876444 /nfs/dbraw/zinc/87/64/44/569876444.db2.gz DXCIWXKEHKHFGF-SRZZPIQSSA-N 0 0 495.444 5.671 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214208679 569876472 /nfs/dbraw/zinc/87/64/72/569876472.db2.gz KRLUJYSWEQUJHZ-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1 ZINC000214256188 569876508 /nfs/dbraw/zinc/87/65/08/569876508.db2.gz QSVHROBDCFNQSG-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214369497 569876583 /nfs/dbraw/zinc/87/65/83/569876583.db2.gz PYWAWQYIWWAADG-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214490299 569876686 /nfs/dbraw/zinc/87/66/86/569876686.db2.gz OVRSNYCQSBGUNU-ZMOGYAJESA-N 0 0 490.537 5.727 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1 ZINC000214488704 569876725 /nfs/dbraw/zinc/87/67/25/569876725.db2.gz HZOOWIVRQCMJEO-YBFXNURJSA-N 0 0 483.889 5.183 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214584999 569876772 /nfs/dbraw/zinc/87/67/72/569876772.db2.gz UCUNWWBXCNCHSH-ZMOGYAJESA-N 0 0 490.537 5.727 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214785209 569876979 /nfs/dbraw/zinc/87/69/79/569876979.db2.gz SXXAZCDPCUPBQR-RGVLZGJSSA-N 0 0 488.352 5.988 40 5 JKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214878671 569877005 /nfs/dbraw/zinc/87/70/05/569877005.db2.gz RRZXMKROCFHQSU-YDZHTSKRSA-N 0 0 464.373 7.536 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)o1 ZINC000214893532 569877020 /nfs/dbraw/zinc/87/70/20/569877020.db2.gz VHTVCAKSKQFMIT-RGVLZGJSSA-N 0 0 481.442 5.008 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccccc1 ZINC000214895987 569877066 /nfs/dbraw/zinc/87/70/66/569877066.db2.gz KSYLFTQBIDAAGG-BUVRLJJBSA-N 0 0 490.537 5.809 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1ccc(C)cc1 ZINC000214904660 569877079 /nfs/dbraw/zinc/87/70/79/569877079.db2.gz RLZOXYJYIUZZCE-ZVHZXABRSA-N 0 0 490.537 5.727 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214985325 569877106 /nfs/dbraw/zinc/87/71/06/569877106.db2.gz BEJZQGKZEWINAP-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215028399 569877107 /nfs/dbraw/zinc/87/71/07/569877107.db2.gz LGBWZDDRRFLTSA-WOJGMQOQSA-N 0 0 477.336 5.383 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214990005 569877114 /nfs/dbraw/zinc/87/71/14/569877114.db2.gz QHRFJGKNKAAFDR-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)c1 ZINC000215011142 569877130 /nfs/dbraw/zinc/87/71/30/569877130.db2.gz STCIEBHNRPJJCH-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000215005235 569877131 /nfs/dbraw/zinc/87/71/31/569877131.db2.gz UMRJWOFGDABDSG-LICLKQGHSA-N 0 0 493.335 5.001 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@H](C)CC ZINC000215010095 569877139 /nfs/dbraw/zinc/87/71/39/569877139.db2.gz NJECNARPVLGTHV-NWGMWSOJSA-N 0 0 456.520 5.407 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215003168 569877146 /nfs/dbraw/zinc/87/71/46/569877146.db2.gz CJYJMSBZUGTOFC-VXLYETTFSA-N 0 0 485.861 5.653 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215106121 569877187 /nfs/dbraw/zinc/87/71/87/569877187.db2.gz FVQJUDJNUJCAKE-SSDVNMTOSA-N 0 0 498.919 6.203 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215246775 569877280 /nfs/dbraw/zinc/87/72/80/569877280.db2.gz JHVOJRZIOULTFU-XQNSMLJCSA-N 0 0 476.510 5.289 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000222309695 569883929 /nfs/dbraw/zinc/88/39/29/569883929.db2.gz CRGLESUARFMDBY-FOCFSEODSA-N 0 0 478.504 5.027 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223399816 569909868 /nfs/dbraw/zinc/90/98/68/569909868.db2.gz DPPRCVQAURJIBP-BJKOFHAPSA-N 0 0 456.527 5.423 40 5 JKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223749543 569922025 /nfs/dbraw/zinc/92/20/25/569922025.db2.gz VGGGQVBGCVYVCL-QFIPXVFZSA-N 0 0 492.041 5.205 40 5 JKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223775569 569922898 /nfs/dbraw/zinc/92/28/98/569922898.db2.gz CEXZLTMSIDJENG-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223782901 569923179 /nfs/dbraw/zinc/92/31/79/569923179.db2.gz OPUCXQPATCPDGN-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223782546 569923195 /nfs/dbraw/zinc/92/31/95/569923195.db2.gz KYLAKQQKRBOBST-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223818946 569924273 /nfs/dbraw/zinc/92/42/73/569924273.db2.gz LGTYZHHCCAZMAZ-FQEVSTJZSA-N 0 0 480.392 5.168 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223829931 569924566 /nfs/dbraw/zinc/92/45/66/569924566.db2.gz IFMRVRLSAFBHGG-LOSJGSFVSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223829981 569924568 /nfs/dbraw/zinc/92/45/68/569924568.db2.gz IFMRVRLSAFBHGG-JWQCQUIFSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223833068 569924675 /nfs/dbraw/zinc/92/46/75/569924675.db2.gz ZNXIFLSHPMDYAI-RPBOFIJWSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223841413 569924870 /nfs/dbraw/zinc/92/48/70/569924870.db2.gz ROGYTNZJJMSZNA-JWQCQUIFSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223841286 569924871 /nfs/dbraw/zinc/92/48/71/569924871.db2.gz ROGYTNZJJMSZNA-RPBOFIJWSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223841496 569924875 /nfs/dbraw/zinc/92/48/75/569924875.db2.gz DWKUNRHONIEVBR-DQEYMECFSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223841605 569924890 /nfs/dbraw/zinc/92/48/90/569924890.db2.gz DWKUNRHONIEVBR-LOSJGSFVSA-N 0 0 486.553 5.826 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223872972 569925841 /nfs/dbraw/zinc/92/58/41/569925841.db2.gz IMPISVXFLQKTPB-DHIUTWEWSA-N 0 0 458.499 5.133 40 5 JKBBRN CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223902746 569926702 /nfs/dbraw/zinc/92/67/02/569926702.db2.gz RQVWEJCNQDTYLG-FQEVSTJZSA-N 0 0 480.392 5.168 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223908330 569926908 /nfs/dbraw/zinc/92/69/08/569926908.db2.gz MSNCLIWOUGEEPQ-DQEYMECFSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223908580 569926940 /nfs/dbraw/zinc/92/69/40/569926940.db2.gz PYRZFHBRVSGRRM-DQEYMECFSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000223908453 569926952 /nfs/dbraw/zinc/92/69/52/569926952.db2.gz MSNCLIWOUGEEPQ-LOSJGSFVSA-N 0 0 484.585 5.024 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223918403 569927227 /nfs/dbraw/zinc/92/72/27/569927227.db2.gz JKNXNTMNWYRXGA-DQEYMECFSA-N 0 0 485.569 5.493 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223918240 569927232 /nfs/dbraw/zinc/92/72/32/569927232.db2.gz IBDVVYJPLGBIKJ-RPBOFIJWSA-N 0 0 485.569 5.493 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223989994 569929635 /nfs/dbraw/zinc/92/96/35/569929635.db2.gz GHVXCBOFWQEPBW-LOSJGSFVSA-N 0 0 499.552 5.385 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223998113 569929931 /nfs/dbraw/zinc/92/99/31/569929931.db2.gz DQBUQQFDGTZMDF-LOSJGSFVSA-N 0 0 499.552 5.385 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc3c(c2)OCO3)o1 ZINC000224029109 569931172 /nfs/dbraw/zinc/93/11/72/569931172.db2.gz VJGFKFHTMVGEMB-RPWUZVMVSA-N 0 0 486.509 5.156 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224185152 569935632 /nfs/dbraw/zinc/93/56/32/569935632.db2.gz PENFXJBLQVLKAB-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224200706 569936271 /nfs/dbraw/zinc/93/62/71/569936271.db2.gz BLUPERNEULZNNU-XMMPIXPASA-N 0 0 483.634 5.003 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224213284 569936715 /nfs/dbraw/zinc/93/67/15/569936715.db2.gz JJCBYBWLUWAYKA-DNQXCXABSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224212962 569936741 /nfs/dbraw/zinc/93/67/41/569936741.db2.gz YUXDMLBJGPOVSN-ZEQRLZLVSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224215556 569936804 /nfs/dbraw/zinc/93/68/04/569936804.db2.gz 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569944676 /nfs/dbraw/zinc/94/46/76/569944676.db2.gz JJUVPWRYAYPPTO-XZOQPEGZSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 ZINC000224445372 569944751 /nfs/dbraw/zinc/94/47/51/569944751.db2.gz KJSMDVGYDWXHIT-PKTZIBPZSA-N 0 0 460.490 5.566 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)o1 ZINC000224448670 569944851 /nfs/dbraw/zinc/94/48/51/569944851.db2.gz PWZJZUQEHYEZHG-RPWUZVMVSA-N 0 0 490.516 5.575 40 5 JKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224453830 569945003 /nfs/dbraw/zinc/94/50/03/569945003.db2.gz MYGNEJMCBVJSLM-OAQYLSRUSA-N 0 0 492.403 5.310 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 ZINC000224474659 569945557 /nfs/dbraw/zinc/94/55/57/569945557.db2.gz LEVQLGXVIFPSAQ-PKTZIBPZSA-N 0 0 475.961 5.611 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 ZINC000224482703 569945892 /nfs/dbraw/zinc/94/58/92/569945892.db2.gz NCRIPZPOVUDLAS-GOTSBHOMSA-N 0 0 476.945 6.080 40 5 JKBBRN COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224545582 569947893 /nfs/dbraw/zinc/94/78/93/569947893.db2.gz GBVPRKCHWVJARF-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000224589062 569949688 /nfs/dbraw/zinc/94/96/88/569949688.db2.gz XQYYIDLTBTXCAW-ZEQRLZLVSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)o1 ZINC000224620412 569951122 /nfs/dbraw/zinc/95/11/22/569951122.db2.gz JCAIRPQIFBVVFP-BJKOFHAPSA-N 0 0 488.525 5.141 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)c1 ZINC000224623694 569951230 /nfs/dbraw/zinc/95/12/30/569951230.db2.gz ZSVZKWBFZZDXDG-PKTZIBPZSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3O)o2)cc1 ZINC000224623855 569951298 /nfs/dbraw/zinc/95/12/98/569951298.db2.gz JBAJRQOQGINFID-DHIUTWEWSA-N 0 0 458.499 5.133 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc2ccccc2c1 ZINC000224646337 569952135 /nfs/dbraw/zinc/95/21/35/569952135.db2.gz ZSFMBPXOOBINHL-UHFFFAOYSA-N 0 0 456.498 6.286 40 5 JKBBRN CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224668271 569952933 /nfs/dbraw/zinc/95/29/33/569952933.db2.gz QHWIIDFTJYYZCI-JOCHJYFZSA-N 0 0 492.041 5.061 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(Cl)cc1 ZINC000224679429 569953415 /nfs/dbraw/zinc/95/34/15/569953415.db2.gz IGUVBZALNCZMPQ-UHFFFAOYSA-N 0 0 456.951 6.500 40 5 JKBBRN Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)o1 ZINC000224760461 569956440 /nfs/dbraw/zinc/95/64/40/569956440.db2.gz FFSJDUMJACTHHH-BJKOFHAPSA-N 0 0 488.594 6.220 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1 ZINC000224760557 569956467 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/nfs/dbraw/zinc/96/14/93/569961493.db2.gz RCKBMUYYZRGYHO-PKTZIBPZSA-N 0 0 491.960 5.317 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 ZINC000224879149 569961530 /nfs/dbraw/zinc/96/15/30/569961530.db2.gz ILDRYYWQAOJYQP-GOTSBHOMSA-N 0 0 491.960 5.317 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 ZINC000224881312 569961686 /nfs/dbraw/zinc/96/16/86/569961686.db2.gz KMORXUVTJRITEM-PKTZIBPZSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)o1 ZINC000224881346 569961696 /nfs/dbraw/zinc/96/16/96/569961696.db2.gz KMORXUVTJRITEM-XZOQPEGZSA-N 0 0 492.944 5.786 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)c1 ZINC000224887171 569961910 /nfs/dbraw/zinc/96/19/10/569961910.db2.gz NPBMPCFBKHGKTC-DHIUTWEWSA-N 0 0 492.944 5.786 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1F ZINC000224910518 569963023 /nfs/dbraw/zinc/96/30/23/569963023.db2.gz TWNGNTRSHVDMRX-ZEQRLZLVSA-N 0 0 474.517 5.874 40 5 JKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224953845 569964775 /nfs/dbraw/zinc/96/47/75/569964775.db2.gz BQGFZUFSQDUMDO-UHFFFAOYSA-N 0 0 464.275 5.932 40 5 JKBBRN CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225005694 569968713 /nfs/dbraw/zinc/96/87/13/569968713.db2.gz QDFIVJCVGHPFRJ-XMMPIXPASA-N 0 0 483.634 5.084 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225029759 569970257 /nfs/dbraw/zinc/97/02/57/569970257.db2.gz HRQBTARWVOJQOQ-GOTSBHOMSA-N 0 0 464.547 5.174 40 5 JKBBRN Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604660 569970445 /nfs/dbraw/zinc/97/04/45/569970445.db2.gz FFODZMHNYBFZEX-UHFFFAOYSA-N 0 0 461.743 6.510 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408605708 569970899 /nfs/dbraw/zinc/97/08/99/569970899.db2.gz 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CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408608167 569971752 /nfs/dbraw/zinc/97/17/52/569971752.db2.gz MVGSSDXSWYAZSG-UHFFFAOYSA-N 0 0 478.288 6.613 40 5 JKBBRN O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Br)Nc1ccc(Cl)cc1 ZINC000408609167 569971989 /nfs/dbraw/zinc/97/19/89/569971989.db2.gz OKUADQKLMNUPFK-UHFFFAOYSA-N 0 0 490.741 5.640 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225053353 569972152 /nfs/dbraw/zinc/97/21/52/569972152.db2.gz DXPUGKIXGVHQNC-UIOOFZCWSA-N 0 0 498.612 5.255 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 ZINC000225053150 569972156 /nfs/dbraw/zinc/97/21/56/569972156.db2.gz OGVSHSGEWHNHLC-IZZNHLLZSA-N 0 0 498.612 5.255 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)cc1 ZINC000225053277 569972182 /nfs/dbraw/zinc/97/21/82/569972182.db2.gz DXPUGKIXGVHQNC-FTJBHMTQSA-N 0 0 498.612 5.255 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Br)cc2)cc1 ZINC000408609772 569972206 /nfs/dbraw/zinc/97/22/06/569972206.db2.gz ORIJCLZANIVEHF-UHFFFAOYSA-N 0 0 492.167 6.311 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1Cl ZINC000408609747 569972235 /nfs/dbraw/zinc/97/22/35/569972235.db2.gz OPAISRYKHRZRJC-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408610674 569972575 /nfs/dbraw/zinc/97/25/75/569972575.db2.gz RIDYFFYDXBSLCA-UHFFFAOYSA-N 0 0 461.287 5.696 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 ZINC000225061394 569972700 /nfs/dbraw/zinc/97/27/00/569972700.db2.gz MCCZUVRWLPIYTE-IZZNHLLZSA-N 0 0 499.596 5.725 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCCNc3ccccc3)o2)cc1 ZINC000225061345 569972764 /nfs/dbraw/zinc/97/27/64/569972764.db2.gz MCCZUVRWLPIYTE-FTJBHMTQSA-N 0 0 499.596 5.725 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408611475 569972844 /nfs/dbraw/zinc/97/28/44/569972844.db2.gz SHKPBBIJKWASGX-UHFFFAOYSA-N 0 0 462.933 6.991 40 5 JKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408611537 569972846 /nfs/dbraw/zinc/97/28/46/569972846.db2.gz SXUYWRAOJISPFQ-UHFFFAOYSA-N 0 0 484.833 7.209 40 5 JKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408612354 569973056 /nfs/dbraw/zinc/97/30/56/569973056.db2.gz VOLFXHHMDVKXKV-UHFFFAOYSA-N 0 0 495.732 6.350 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408613117 569973194 /nfs/dbraw/zinc/97/31/94/569973194.db2.gz XMKUYJMTNRLDPC-UHFFFAOYSA-N 0 0 454.395 5.214 40 5 JKBBRN O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(-c2ccccc2)cc1 ZINC000408617121 569976087 /nfs/dbraw/zinc/97/60/87/569976087.db2.gz BTBSEKFGRXUKLF-UHFFFAOYSA-N 0 0 461.857 6.215 40 5 JKBBRN COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408621536 569978244 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UMMBENZVQUQTKA-UHFFFAOYSA-N 0 0 497.557 6.451 40 5 JKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1 ZINC000408756971 570035684 /nfs/dbraw/zinc/03/56/84/570035684.db2.gz KYDXLMSQRNJBHS-UHFFFAOYSA-N 0 0 457.873 6.254 40 5 JKBBRN CCc1ccccc1N1C(=O)c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408756729 570035689 /nfs/dbraw/zinc/03/56/89/570035689.db2.gz JDMOYJSJHKEAQQ-UHFFFAOYSA-N 0 0 471.900 6.508 40 5 JKBBRN Cc1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408756918 570035744 /nfs/dbraw/zinc/03/57/44/570035744.db2.gz KMPVLMHIUDPVHS-UHFFFAOYSA-N 0 0 457.873 6.254 40 5 JKBBRN COCCCN1C(=O)c2cccc3c(-c4ccc(Br)c(C)c4)c([N+](=O)[O-])cc(c23)C1=O ZINC000408758136 570036102 /nfs/dbraw/zinc/03/61/02/570036102.db2.gz VTENQUXVAXAPPQ-UHFFFAOYSA-N 0 0 483.318 5.118 40 5 JKBBRN CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(Cl)cc5)c([N+](=O)[O-])cc(c43)C2=O)cc1 ZINC000408757878 570036115 /nfs/dbraw/zinc/03/61/15/570036115.db2.gz 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O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl ZINC000409173932 570156055 /nfs/dbraw/zinc/15/60/55/570156055.db2.gz PRLLSBFLZLLCSO-UHFFFAOYSA-N 0 0 473.781 5.214 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1N1C(=O)c2ccccc2C1=O ZINC000409176146 570156944 /nfs/dbraw/zinc/15/69/44/570156944.db2.gz IMLQGIKXAJOPJV-UHFFFAOYSA-N 0 0 494.459 5.545 40 5 JKBBRN Cc1c(Br)cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000409176765 570157196 /nfs/dbraw/zinc/15/71/96/570157196.db2.gz XAZFDSGJKJLNFD-OAQYLSRUSA-N 0 0 499.273 5.355 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Nc1ccccc1 ZINC000409176877 570157276 /nfs/dbraw/zinc/15/72/76/570157276.db2.gz ZTSUVZOOUOMKBX-SANMLTNESA-N 0 0 452.466 6.119 40 5 JKBBRN O=C(CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)Nc1cccc2ccccc21 ZINC000409177178 570157373 /nfs/dbraw/zinc/15/73/73/570157373.db2.gz CWXGQKWBLHZEMI-UHFFFAOYSA-N 0 0 470.481 6.002 40 5 JKBBRN CC(C)(C)c1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1 ZINC000409177106 570157385 /nfs/dbraw/zinc/15/73/85/570157385.db2.gz ARKZFJRSYZUURB-AREMUKBSSA-N 0 0 473.569 6.971 40 5 JKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409177088 570157433 /nfs/dbraw/zinc/15/74/33/570157433.db2.gz AFJYLBCZNXMRQD-UHFFFAOYSA-N 0 0 475.284 5.276 40 5 JKBBRN Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)c2)cc1 ZINC000409177318 570157479 /nfs/dbraw/zinc/15/74/79/570157479.db2.gz DKTDIABAYYTPFY-UHFFFAOYSA-N 0 0 482.492 6.305 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000409177464 570157498 /nfs/dbraw/zinc/15/74/98/570157498.db2.gz FLXWZJMZCKEZBP-UHFFFAOYSA-N 0 0 451.434 5.956 40 5 JKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000409177345 570157534 /nfs/dbraw/zinc/15/75/34/570157534.db2.gz FAQFPKXZTVXDBB-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409177671 570157592 /nfs/dbraw/zinc/15/75/92/570157592.db2.gz BWCUGLNBSPYQFI-UHFFFAOYSA-N 0 0 459.479 5.314 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000409177838 570157692 /nfs/dbraw/zinc/15/76/92/570157692.db2.gz JHSPFAJXQQYCNM-AREMUKBSSA-N 0 0 460.486 5.098 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000409177839 570157746 /nfs/dbraw/zinc/15/77/46/570157746.db2.gz JHSPFAJXQQYCNM-SANMLTNESA-N 0 0 460.486 5.098 40 5 JKBBRN CC(C)(C)c1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(C)(C)C)c1 ZINC000409177997 570157808 /nfs/dbraw/zinc/15/78/08/570157808.db2.gz KDUNTFHZAHBBPV-UHFFFAOYSA-N 0 0 461.558 7.339 40 5 JKBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 ZINC000409177929 570157841 /nfs/dbraw/zinc/15/78/41/570157841.db2.gz HESWABXRPJUGRE-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000409178412 570157968 /nfs/dbraw/zinc/15/79/68/570157968.db2.gz HLMBBLMBIDXVHK-HXUWFJFHSA-N 0 0 474.694 5.792 40 5 JKBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409178508 570158015 /nfs/dbraw/zinc/15/80/15/570158015.db2.gz KKSAGLNXWDKEPY-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1I ZINC000409178582 570158071 /nfs/dbraw/zinc/15/80/71/570158071.db2.gz LLULDJGKARICOE-UHFFFAOYSA-N 0 0 475.238 5.349 40 5 JKBBRN Cc1ccc(C)c(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000409178980 570158102 /nfs/dbraw/zinc/15/81/02/570158102.db2.gz LVXUDMHICVEXBT-SANMLTNESA-N 0 0 460.486 5.098 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409178779 570158106 /nfs/dbraw/zinc/15/81/06/570158106.db2.gz NHPODKSONSJPJJ-UHFFFAOYSA-N 0 0 482.492 6.305 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)-c1ccccc1C2=O ZINC000409179182 570158194 /nfs/dbraw/zinc/15/81/94/570158194.db2.gz PSCJOJCTJASPSI-UHFFFAOYSA-N 0 0 451.434 5.956 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409179346 570158304 /nfs/dbraw/zinc/15/83/04/570158304.db2.gz QOQUOKYJESSQOU-UHFFFAOYSA-N 0 0 486.505 6.601 40 5 JKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409179950 570158690 /nfs/dbraw/zinc/15/86/90/570158690.db2.gz QSCYMCJHCPIABK-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180399 570158918 /nfs/dbraw/zinc/15/89/18/570158918.db2.gz WZBONBTUCIXNHM-UHFFFAOYSA-N 0 0 452.677 6.704 40 5 JKBBRN CC(C)(C)c1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(C)(C)C)c1 ZINC000409180832 570159110 /nfs/dbraw/zinc/15/91/10/570159110.db2.gz WAISUNWQFXDOCM-UHFFFAOYSA-N 0 0 461.558 7.339 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1c2ccccc2nc2c1CCCC2 ZINC000409180906 570159118 /nfs/dbraw/zinc/15/91/18/570159118.db2.gz UIQQQMJXGZRTSE-MHZLTWQESA-N 0 0 466.493 5.803 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409181128 570159167 /nfs/dbraw/zinc/15/91/67/570159167.db2.gz XECPDTSQAIVEOT-UHFFFAOYSA-N 0 0 475.953 7.346 40 5 JKBBRN Cc1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409181289 570159311 /nfs/dbraw/zinc/15/93/11/570159311.db2.gz AQBOGVLHLLHFSF-UHFFFAOYSA-N 0 0 485.279 5.368 40 5 JKBBRN Cc1ccc(OCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)cc1 ZINC000409181590 570159372 /nfs/dbraw/zinc/15/93/72/570159372.db2.gz DIUCPUFHPFJOBL-UHFFFAOYSA-N 0 0 469.493 6.632 40 5 JKBBRN O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000409181811 570159524 /nfs/dbraw/zinc/15/95/24/570159524.db2.gz FKMHBDOYDZTYAJ-SANMLTNESA-N 0 0 480.476 5.628 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000409182298 570159721 /nfs/dbraw/zinc/15/97/21/570159721.db2.gz JUCKPNJHPJIDSF-UHFFFAOYSA-N 0 0 455.466 6.323 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000409182603 570159953 /nfs/dbraw/zinc/15/99/53/570159953.db2.gz NAQQDPXSTWQZSL-UHFFFAOYSA-N 0 0 482.492 6.305 40 5 JKBBRN O=C(Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000409182949 570160020 /nfs/dbraw/zinc/16/00/20/570160020.db2.gz PHAMUNPNZBDLBU-AREMUKBSSA-N 0 0 480.476 5.628 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409182865 570160098 /nfs/dbraw/zinc/16/00/98/570160098.db2.gz OXKOETJQEOKOIT-UHFFFAOYSA-N 0 0 479.445 5.066 40 5 JKBBRN COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409183859 570160286 /nfs/dbraw/zinc/16/02/86/570160286.db2.gz VUDDPYSNIIRSMK-RUZDIDTESA-N 0 0 496.903 5.143 40 5 JKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191419 570162134 /nfs/dbraw/zinc/16/21/34/570162134.db2.gz GYICGSPUAFQRMD-RGVLZGJSSA-N 0 0 497.872 6.190 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cc([N+](=O)[O-])ccc3Cl)n2C)cc1C ZINC000409193132 570162607 /nfs/dbraw/zinc/16/26/07/570162607.db2.gz CLTLCOTUFZGKAQ-RFBIWTDZSA-N 0 0 477.973 6.340 40 5 JKBBRN COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 ZINC000409195321 570163317 /nfs/dbraw/zinc/16/33/17/570163317.db2.gz ONXCFMDJSMGWQN-JMIUGGIZSA-N 0 0 492.871 5.129 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(-c3nc4ccccc4s3)c2-c2ccccc2)cc1 ZINC000409195529 570163372 /nfs/dbraw/zinc/16/33/72/570163372.db2.gz WEIGFKNFMHLHKS-UHFFFAOYSA-N 0 0 473.557 7.996 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc(Cl)cc2)OC1=O ZINC000409196372 570163706 /nfs/dbraw/zinc/16/37/06/570163706.db2.gz ZTJUNFYQAGHYNR-KOTFUQRNSA-N 0 0 474.856 5.212 40 5 JKBBRN COc1ccc(-c2s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n(C)c2-c2ccc(OC)cc2)cc1 ZINC000409197840 570164041 /nfs/dbraw/zinc/16/40/41/570164041.db2.gz PYOPFKJOVILMMO-QPLCGJKRSA-N 0 0 475.526 5.087 40 5 JKBBRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 ZINC000409200403 570165091 /nfs/dbraw/zinc/16/50/91/570165091.db2.gz RXSKQIPOOGFWFE-LCUIJRPUSA-N 0 0 479.945 5.732 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3Cl)n2C)cc1 ZINC000409206423 570167359 /nfs/dbraw/zinc/16/73/59/570167359.db2.gz ODBCHHDWLJWTDW-LCUIJRPUSA-N 0 0 463.946 6.032 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1CCc1ccccc1 ZINC000409215102 570171956 /nfs/dbraw/zinc/17/19/56/570171956.db2.gz ZTULFEOTDJSGGO-DEDYPNTBSA-N 0 0 454.891 5.787 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409216987 570173047 /nfs/dbraw/zinc/17/30/47/570173047.db2.gz QJYGKVJBOYHLHV-DEDYPNTBSA-N 0 0 463.471 5.422 40 5 JKBBRN COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409218965 570173864 /nfs/dbraw/zinc/17/38/64/570173864.db2.gz ZCAPXRSMOBBLHQ-BOPFTXTBSA-N 0 0 450.925 5.082 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)c1ccccc1 ZINC000409220365 570174087 /nfs/dbraw/zinc/17/40/87/570174087.db2.gz XXERKXUPBVDALV-RGVLZGJSSA-N 0 0 468.874 5.427 40 5 JKBBRN O=C1N/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C(=O)N1Cc1ccccc1 ZINC000409230010 570177409 /nfs/dbraw/zinc/17/74/09/570177409.db2.gz WLFPGVQMDCKCBS-PCLIKHOPSA-N 0 0 479.492 5.420 40 5 JKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000409233702 570178838 /nfs/dbraw/zinc/17/88/38/570178838.db2.gz WDWHHRIKORFEAU-CIAFOILYSA-N 0 0 498.322 5.574 40 5 JKBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCC3)n2)cccc1[N+](=O)[O-] ZINC000328971286 570179954 /nfs/dbraw/zinc/17/99/54/570179954.db2.gz DPSYHDWKNGJRKH-UHFFFAOYSA-N 0 0 473.455 5.201 40 5 JKBBRN CCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409236709 570180052 /nfs/dbraw/zinc/18/00/52/570180052.db2.gz GQSAWGZVYASKCJ-WOJGMQOQSA-N 0 0 462.911 5.282 40 5 JKBBRN CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409238868 570180998 /nfs/dbraw/zinc/18/09/98/570180998.db2.gz LUGDIUURIQGTLY-FYJGNVAPSA-N 0 0 493.903 5.323 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccccc1Cl ZINC000409252569 570186152 /nfs/dbraw/zinc/18/61/52/570186152.db2.gz SRSNPWPUEVKNKZ-OEAKJJBVSA-N 0 0 472.953 6.321 40 5 JKBBRN O=c1[nH]c(-c2cc(Br)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2ccccc12 ZINC000409261835 570187628 /nfs/dbraw/zinc/18/76/28/570187628.db2.gz DKRHBWUPCDVPSX-UHFFFAOYSA-N 0 0 483.234 5.374 40 5 JKBBRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])nc2ccccc12 ZINC000409262190 570187824 /nfs/dbraw/zinc/18/78/24/570187824.db2.gz DDBOLBPHKDPMHJ-UHFFFAOYSA-N 0 0 452.264 5.252 40 5 JKBBRN CC(C)(C)c1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(C(C)(C)C)c1O ZINC000408532420 570188530 /nfs/dbraw/zinc/18/85/30/570188530.db2.gz OJEPKQWFLKJUKY-BKUYFWCQSA-N 0 0 496.585 5.815 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1cccc2ccccc21 ZINC000409269251 570189022 /nfs/dbraw/zinc/18/90/22/570189022.db2.gz AESSEERSTGZWJR-OEAKJJBVSA-N 0 0 499.504 5.683 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1cccc2ccccc21 ZINC000409274562 570189661 /nfs/dbraw/zinc/18/96/61/570189661.db2.gz PPICEQNSBDVMGJ-OEAKJJBVSA-N 0 0 499.504 5.683 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408543698 570192211 /nfs/dbraw/zinc/19/22/11/570192211.db2.gz QHNZZJLVJHKKLG-TWGQIWQCSA-N 0 0 493.741 6.455 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccccc2O)c(C)c1 ZINC000408544278 570192453 /nfs/dbraw/zinc/19/24/53/570192453.db2.gz UYCWCXQDUMXDPB-UHFFFAOYSA-N 0 0 489.557 5.204 40 5 JKBBRN Cc1noc(/C=C\c2ccc(OCC(=O)Nc3cc(C)c(C)cc3Br)cc2)c1[N+](=O)[O-] ZINC000408544844 570192694 /nfs/dbraw/zinc/19/26/94/570192694.db2.gz VOONOEUDFNNLGU-TWGQIWQCSA-N 0 0 486.322 5.458 40 5 JKBBRN COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408553566 570195881 /nfs/dbraw/zinc/19/58/81/570195881.db2.gz ATHHNIQSUSCXLF-HSZRJFAPSA-N 0 0 470.934 5.614 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000408553850 570195972 /nfs/dbraw/zinc/19/59/72/570195972.db2.gz BLSDVQVVOIZCTH-UHFFFAOYSA-N 0 0 455.898 5.277 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408554507 570196340 /nfs/dbraw/zinc/19/63/40/570196340.db2.gz FFZDSVOVNIDJAL-UHFFFAOYSA-N 0 0 481.763 7.145 40 5 JKBBRN COc1cc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000408554803 570196431 /nfs/dbraw/zinc/19/64/31/570196431.db2.gz UNKHPTHJIZVWTM-UHFFFAOYSA-N 0 0 498.870 5.463 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408555519 570196865 /nfs/dbraw/zinc/19/68/65/570196865.db2.gz HCQABUHGZDHCED-UHFFFAOYSA-N 0 0 471.351 6.256 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1F ZINC000408556177 570197280 /nfs/dbraw/zinc/19/72/80/570197280.db2.gz IDADRIRMWHCOKY-UHFFFAOYSA-N 0 0 475.314 6.086 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1 ZINC000408557224 570198026 /nfs/dbraw/zinc/19/80/26/570198026.db2.gz NWKHLXKEVAUMQV-UHFFFAOYSA-N 0 0 463.331 6.702 40 5 JKBBRN CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408558308 570198971 /nfs/dbraw/zinc/19/89/71/570198971.db2.gz QIUVTPJBUPMJOI-UHFFFAOYSA-N 0 0 489.937 5.008 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408559085 570199447 /nfs/dbraw/zinc/19/94/47/570199447.db2.gz XJXSYTBJNPJSLO-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408559665 570199920 /nfs/dbraw/zinc/19/99/20/570199920.db2.gz ATNOVDZWNCLSNU-VHXPQNKSSA-N 0 0 468.535 5.363 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561500 570201146 /nfs/dbraw/zinc/20/11/46/570201146.db2.gz IWOPWQCCRPESOO-DAFNUICNSA-N 0 0 498.819 6.799 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562260 570201595 /nfs/dbraw/zinc/20/15/95/570201595.db2.gz OLMLXAOFEXUJJC-GFMRDNFCSA-N 0 0 484.792 6.408 40 5 JKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000408562503 570201840 /nfs/dbraw/zinc/20/18/40/570201840.db2.gz QJCZCIIXMCVVMJ-QOCHGBHMSA-N 0 0 481.317 5.409 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408562871 570201974 /nfs/dbraw/zinc/20/19/74/570201974.db2.gz SCHXCUHXDSIVQR-ATJXCDBQSA-N 0 0 494.798 5.864 40 5 JKBBRN CCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Br)cc1 ZINC000408562878 570202003 /nfs/dbraw/zinc/20/20/03/570202003.db2.gz SCMPOLGVBDMEGR-XDOYNYLZSA-N 0 0 460.353 5.211 40 5 JKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563177 570202077 /nfs/dbraw/zinc/20/20/77/570202077.db2.gz UNCAGPXXGQOLPW-GFMRDNFCSA-N 0 0 484.792 6.408 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408563101 570202093 /nfs/dbraw/zinc/20/20/93/570202093.db2.gz UCAJLAKYAQHFRQ-DAFNUICNSA-N 0 0 498.819 6.799 40 5 JKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)N1c1ccccc1 ZINC000409326838 570202447 /nfs/dbraw/zinc/20/24/47/570202447.db2.gz FECGAYZBGSGYLZ-SANMLTNESA-N 0 0 469.928 6.614 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)cc1 ZINC000408564989 570202899 /nfs/dbraw/zinc/20/28/99/570202899.db2.gz AWQBVVBSYPTHFU-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21 ZINC000408564964 570202950 /nfs/dbraw/zinc/20/29/50/570202950.db2.gz ATUBQHXHOAWWDA-SANMLTNESA-N 0 0 466.537 6.707 40 5 JKBBRN CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409328413 570202957 /nfs/dbraw/zinc/20/29/57/570202957.db2.gz UUMURDMVIXWTKM-UHFFFAOYSA-N 0 0 457.899 5.004 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565098 570203047 /nfs/dbraw/zinc/20/30/47/570203047.db2.gz HRAWXSGSMMPZFZ-WQWSHVPRSA-N 0 0 498.366 5.094 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000408565087 570203053 /nfs/dbraw/zinc/20/30/53/570203053.db2.gz BDXYUZLZVINCDK-IBGZPJMESA-N 0 0 475.759 7.116 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408565094 570203056 /nfs/dbraw/zinc/20/30/56/570203056.db2.gz HRAWXSGSMMPZFZ-HGMMTPDKSA-N 0 0 498.366 5.094 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)cc1 ZINC000408565882 570203511 /nfs/dbraw/zinc/20/35/11/570203511.db2.gz DBWOJNJSNAXGMI-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000408565900 570203514 /nfs/dbraw/zinc/20/35/14/570203514.db2.gz DDYFUHCXPPKPIM-FQEVSTJZSA-N 0 0 485.765 6.571 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408566105 570203595 /nfs/dbraw/zinc/20/35/95/570203595.db2.gz DWLZWZUCDBHTAW-GOSISDBHSA-N 0 0 453.351 5.391 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408566032 570203621 /nfs/dbraw/zinc/20/36/21/570203621.db2.gz DPHHDATXJJDNAI-IBGZPJMESA-N 0 0 459.304 6.601 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(Cl)cc1 ZINC000408566720 570203818 /nfs/dbraw/zinc/20/38/18/570203818.db2.gz GACRZKBBRNLKFM-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408566707 570203839 /nfs/dbraw/zinc/20/38/39/570203839.db2.gz FZPTVNKBYOSCKE-OAQYLSRUSA-N 0 0 469.310 6.057 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)cc1 ZINC000408567097 570203855 /nfs/dbraw/zinc/20/38/55/570203855.db2.gz GLIUQOHHJMPGKL-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000408566849 570203904 /nfs/dbraw/zinc/20/39/04/570203904.db2.gz PMTNZPNPERANRG-JJIBRWJFSA-N 0 0 481.474 5.503 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000408567590 570204142 /nfs/dbraw/zinc/20/41/42/570204142.db2.gz GWZQENKZSWYNDR-HSZRJFAPSA-N 0 0 480.977 5.918 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000408568150 570204143 /nfs/dbraw/zinc/20/41/43/570204143.db2.gz HTQCAHVICFERFW-LJQANCHMSA-N 0 0 459.304 6.601 40 5 JKBBRN Cc1ccc(COc2ccc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Br)cc1 ZINC000408569098 570204245 /nfs/dbraw/zinc/20/42/45/570204245.db2.gz IUUQXBRTCJFZMT-NRFANRHFSA-N 0 0 465.347 6.226 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408569567 570204362 /nfs/dbraw/zinc/20/43/62/570204362.db2.gz JOESDHGHKLICJT-HSZRJFAPSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(Cl)cc1 ZINC000408569134 570204427 /nfs/dbraw/zinc/20/44/27/570204427.db2.gz IYKCPTVFSISKBH-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)c(C)c1 ZINC000408569891 570204512 /nfs/dbraw/zinc/20/45/12/570204512.db2.gz KDUXCFFBIUKDNC-VWLOTQADSA-N 0 0 492.576 6.021 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408570871 570204636 /nfs/dbraw/zinc/20/46/36/570204636.db2.gz MCVMAFAHPYUFTG-FQEVSTJZSA-N 0 0 469.310 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(C)cc1 ZINC000408571095 570204644 /nfs/dbraw/zinc/20/46/44/570204644.db2.gz NMCAHYOGVPJKBU-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)c(C)c1 ZINC000408570902 570204648 /nfs/dbraw/zinc/20/46/48/570204648.db2.gz MGMFSFXDYYWCBQ-VWLOTQADSA-N 0 0 492.576 6.021 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1F ZINC000408571166 570204653 /nfs/dbraw/zinc/20/46/53/570204653.db2.gz NYUNAUQNGKBSPK-LJQANCHMSA-N 0 0 499.336 6.066 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1cccc(C)c1 ZINC000408571152 570204658 /nfs/dbraw/zinc/20/46/58/570204658.db2.gz NWRRJXAHGVQNTF-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000408571155 570204668 /nfs/dbraw/zinc/20/46/68/570204668.db2.gz NWVXLNKSOZVDDV-VWLOTQADSA-N 0 0 490.585 5.582 40 5 JKBBRN CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl ZINC000408571177 570204686 /nfs/dbraw/zinc/20/46/86/570204686.db2.gz OBGKYTWRKPLPLU-KRWDZBQOSA-N 0 0 487.796 6.045 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408571922 570204845 /nfs/dbraw/zinc/20/48/45/570204845.db2.gz PXBWICNVPDUQKH-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 ZINC000408571845 570204861 /nfs/dbraw/zinc/20/48/61/570204861.db2.gz PRWPKQDZAZXSHL-RUZDIDTESA-N 0 0 490.585 5.582 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)ccc1OCc1ccccc1 ZINC000408571847 570204864 /nfs/dbraw/zinc/20/48/64/570204864.db2.gz PRWPKQDZAZXSHL-VWLOTQADSA-N 0 0 490.585 5.582 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(F)cc1 ZINC000408572157 570204892 /nfs/dbraw/zinc/20/48/92/570204892.db2.gz QRWMJYUWOIGOKS-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000408572547 570204971 /nfs/dbraw/zinc/20/49/71/570204971.db2.gz JTYDKYDMSRMQQS-ZRDIBKRKSA-N 0 0 476.539 5.505 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408572656 570205019 /nfs/dbraw/zinc/20/50/19/570205019.db2.gz RQRTYOFEKJHSSC-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccccc1 ZINC000408573159 570205138 /nfs/dbraw/zinc/20/51/38/570205138.db2.gz SQWDRZXPPHDQGP-HSZRJFAPSA-N 0 0 480.977 5.918 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408574103 570205352 /nfs/dbraw/zinc/20/53/52/570205352.db2.gz USSCFRUKSTZYQP-GOSISDBHSA-N 0 0 475.759 7.116 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408575485 570205669 /nfs/dbraw/zinc/20/56/69/570205669.db2.gz WIKHDZGIRRYSFW-OAQYLSRUSA-N 0 0 495.373 6.235 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(C)cc1 ZINC000408575480 570205689 /nfs/dbraw/zinc/20/56/89/570205689.db2.gz WIKHDZGIRRYSFW-NRFANRHFSA-N 0 0 495.373 6.235 40 5 JKBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1Br ZINC000408575826 570205775 /nfs/dbraw/zinc/20/57/75/570205775.db2.gz WWFOZBDKASYGRP-IBGZPJMESA-N 0 0 477.384 5.074 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1cccc(C)c1 ZINC000408576035 570205800 /nfs/dbraw/zinc/20/58/00/570205800.db2.gz XETIBPGPJAOIQS-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1 ZINC000408577100 570206070 /nfs/dbraw/zinc/20/60/70/570206070.db2.gz YOJLXQKQYRROOO-OAQYLSRUSA-N 0 0 481.346 5.927 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc2ccccc2c1 ZINC000408577016 570206093 /nfs/dbraw/zinc/20/60/93/570206093.db2.gz YJBDAZUSXULOKH-SANMLTNESA-N 0 0 466.537 6.707 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)cc1 ZINC000408577267 570206128 /nfs/dbraw/zinc/20/61/28/570206128.db2.gz YWXNYXWNXIQNGR-RUZDIDTESA-N 0 0 490.585 5.582 40 5 JKBBRN 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194088287 /nfs/dbraw/zinc/08/82/87/194088287.db2.gz QJMIURJWRVBLSQ-UHFFFAOYSA-N 0 0 474.567 5.335 40 5 JKBBRN CC(=O)c1ccc(NC(=O)CSc2ncnc3c4cc5ccc(C)cc5nc4sc32)cc1 ZINC000001327815 194088296 /nfs/dbraw/zinc/08/82/96/194088296.db2.gz IVAHYTAVOQZENE-UHFFFAOYSA-N 0 0 458.568 5.635 40 5 JKBBRN COc1cc(NC(=O)CSc2ncnc3c4cc5cc(C)cc(C)c5nc4sc32)cc(OC)c1 ZINC000001327855 194088319 /nfs/dbraw/zinc/08/83/19/194088319.db2.gz UVZXOPMNLYONMV-UHFFFAOYSA-N 0 0 490.610 5.758 40 5 JKBBRN COc1cc(NC(=O)CSc2ncnc3c4cc5ccc(C)cc5nc4sc32)cc(OC)c1 ZINC000001327853 194088326 /nfs/dbraw/zinc/08/83/26/194088326.db2.gz BEPQENLTCQAIQM-UHFFFAOYSA-N 0 0 476.583 5.449 40 5 JKBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@@H]4C)c3cc2c1 ZINC000001327847 194088223 /nfs/dbraw/zinc/08/82/23/194088223.db2.gz FTAJRBAPOWXLNN-AWEZNQCLSA-N 0 0 472.595 5.471 40 5 JKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@@H]1C ZINC000001327845 194088241 /nfs/dbraw/zinc/08/82/41/194088241.db2.gz NVZHWGBIRDLBNI-HNNXBMFYSA-N 0 0 456.596 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CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610622 195183785 /nfs/dbraw/zinc/18/37/85/195183785.db2.gz ONFTYXKJWOGPHU-UHFFFAOYSA-N 0 0 467.485 5.964 40 5 JKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020610994 195184628 /nfs/dbraw/zinc/18/46/28/195184628.db2.gz RTAQFHWSDJEJLD-YCRREMRBSA-N 0 0 468.300 5.596 40 5 JKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020610988 195184748 /nfs/dbraw/zinc/18/47/48/195184748.db2.gz VUETWENUKQIJNK-UHFFFAOYSA-N 0 0 498.351 6.411 40 5 JKBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020611129 195184861 /nfs/dbraw/zinc/18/48/61/195184861.db2.gz JFCGTIFHDKNNIF-ACCUITESSA-N 0 0 483.459 5.688 40 5 JKBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020611113 195184924 /nfs/dbraw/zinc/18/49/24/195184924.db2.gz KEYIJRNEWGAOAR-UHFFFAOYSA-N 0 0 481.896 5.897 40 5 JKBBRN 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COc1ccc(-c2nc(-c3ccc(Br)c([N+](=O)[O-])c3)[nH]c2-c2ccccc2)cc1 ZINC000006240009 523073355 /nfs/dbraw/zinc/07/33/55/523073355.db2.gz AZLOIIQVWKETRF-UHFFFAOYSA-N 0 0 450.292 6.090 40 5 JKBBRN CCc1cc2c(cc1OCc1ccc([N+](=O)[O-])cc1)occ(-c1cc(C(=O)OC)oc1C)c2=O ZINC000026571667 523845610 /nfs/dbraw/zinc/84/56/10/523845610.db2.gz IGURPHVUXFFOLE-UHFFFAOYSA-N 0 0 463.442 5.198 40 5 JKBBRN Cc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111976 525100971 /nfs/dbraw/zinc/10/09/71/525100971.db2.gz XRISOOHRKLMHAT-YRNVUSSQSA-N 0 0 475.888 6.207 40 5 JKBBRN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000020458967 525612677 /nfs/dbraw/zinc/61/26/77/525612677.db2.gz PJHPDIXDQDZSBQ-UHFFFAOYSA-N 0 0 452.532 5.233 40 5 JKBBRN c1ccc(-c2ccc(/N=c3\oc4ccc5ccccc5c4cc3-c3nc4ccccc4[nH]3)cc2)cc1 ZINC000012491982 526451234 /nfs/dbraw/zinc/45/12/34/526451234.db2.gz CPCSXAKKUPDNRC-KARKAFJISA-N 0 0 463.540 8.029 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2ncccc21 ZINC000001263231 527120896 /nfs/dbraw/zinc/12/08/96/527120896.db2.gz BNTLFBCTSZEXQA-UHFFFAOYSA-N 0 0 456.457 6.805 40 5 JKBBRN O=C(Nc1ccc2cc3ccc(NC(=O)NC4CCCCC4)cc3nc2c1)NC1CCCCC1 ZINC000016400052 527293886 /nfs/dbraw/zinc/29/38/86/527293886.db2.gz ZUBVHKYUZNRFNU-UHFFFAOYSA-N 0 0 459.594 6.296 40 5 JKBBRN O=[N+]([O-])c1ccc([C@H]2N=C(c3ccccc3)N=C(N(c3ccccc3)c3ccccc3)S2)cc1 ZINC000036293461 527378260 /nfs/dbraw/zinc/37/82/60/527378260.db2.gz AZYLXHVICHTYTE-SANMLTNESA-N 0 0 464.550 6.981 40 5 JKBBRN O=[N+]([O-])c1ccc([C@@H]2N=C(c3ccccc3)N=C(N(c3ccccc3)c3ccccc3)S2)cc1 ZINC000036293462 527379248 /nfs/dbraw/zinc/37/92/48/527379248.db2.gz AZYLXHVICHTYTE-AREMUKBSSA-N 0 0 464.550 6.981 40 5 JKBBRN Cc1ccc(NCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2-c2ccccc2)cc1 ZINC000000797501 553782607 /nfs/dbraw/zinc/78/26/07/553782607.db2.gz VTIYCKFFODJTCC-UHFFFAOYSA-N 0 0 488.573 5.135 40 5 JKBBRN Cc1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(-n2nc3ccccc3n2)c1 ZINC000000827856 553789206 /nfs/dbraw/zinc/78/92/06/553789206.db2.gz CGSSLSPGMUWUNP-UHFFFAOYSA-N 0 0 466.453 5.649 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000861592 553802406 /nfs/dbraw/zinc/80/24/06/553802406.db2.gz NUNDBRDLNXTGMM-UHFFFAOYSA-N 0 0 496.306 6.666 40 5 JKBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000000869029 553807998 /nfs/dbraw/zinc/80/79/98/553807998.db2.gz UJYUMLQBXSGFSW-UHFFFAOYSA-N 0 0 489.557 5.102 40 5 JKBBRN O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000000869955 553808495 /nfs/dbraw/zinc/80/84/95/553808495.db2.gz SJPDHRSATYUSMP-UHFFFAOYSA-N 0 0 498.446 5.097 40 5 JKBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000000871597 553810000 /nfs/dbraw/zinc/81/00/00/553810000.db2.gz OPUIDKILAPUACF-KWUUDPFMSA-N 0 0 462.505 5.327 40 5 JKBBRN O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000877988 553813979 /nfs/dbraw/zinc/81/39/79/553813979.db2.gz AYELJFYAUUVYRF-UHFFFAOYSA-N 0 0 468.897 5.728 40 5 JKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000888192 553826368 /nfs/dbraw/zinc/82/63/68/553826368.db2.gz RDHQHUHSVCTOTH-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1[N+](=O)[O-] ZINC000000888197 553826582 /nfs/dbraw/zinc/82/65/82/553826582.db2.gz IBNAPHUWBYQEKN-UHFFFAOYSA-N 0 0 479.949 5.535 40 5 JKBBRN CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccccc1Br ZINC000000907411 553839953 /nfs/dbraw/zinc/83/99/53/553839953.db2.gz AYPRTSQEWAAAGI-UHFFFAOYSA-N 0 0 496.774 5.020 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000907423 553839972 /nfs/dbraw/zinc/83/99/72/553839972.db2.gz FQYRKTHQHBZSFY-UHFFFAOYSA-N 0 0 479.949 5.535 40 5 JKBBRN O=C(Nc1ccccc1O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000001082892 553905890 /nfs/dbraw/zinc/90/58/90/553905890.db2.gz QLUNBFROMOKLHY-UHFFFAOYSA-N 0 0 476.872 6.791 40 5 JKBBRN O=[N+]([O-])c1cc(F)c(Sc2cc(Br)c([N+](=O)[O-])cc2F)cc1Br ZINC000001595353 553980177 /nfs/dbraw/zinc/98/01/77/553980177.db2.gz RXQVNNYPLFQTHX-UHFFFAOYSA-N 0 0 470.045 5.457 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)SCCOC(=O)COc1ccc(Cl)cc1Cl ZINC000001640292 553981185 /nfs/dbraw/zinc/98/11/85/553981185.db2.gz RSBYFOONVYEHEW-UHFFFAOYSA-N 0 0 459.307 5.097 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000001846696 553995472 /nfs/dbraw/zinc/99/54/72/553995472.db2.gz UPACAKVQPYTLQU-CQSZACIVSA-N 0 0 463.921 7.131 40 5 JKBBRN O=C(Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000001848264 553995817 /nfs/dbraw/zinc/99/58/17/553995817.db2.gz FDYFLDMYTXFGRZ-XMMPIXPASA-N 0 0 470.437 5.221 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001852877 553996402 /nfs/dbraw/zinc/99/64/02/553996402.db2.gz KGQFLSUVHKZIAY-CQSZACIVSA-N 0 0 479.920 6.831 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000001858114 553996951 /nfs/dbraw/zinc/99/69/51/553996951.db2.gz OORWHCQKZLQESU-HNNXBMFYSA-N 0 0 479.920 6.587 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000001866206 553999168 /nfs/dbraw/zinc/99/91/68/553999168.db2.gz LRJRBWUDSKHBKV-AWEZNQCLSA-N 0 0 463.921 7.131 40 5 JKBBRN O=[N+]([O-])c1ccc(P(=O)(Nc2ccc3ccccc3c2)Nc2ccc3ccccc3c2)cc1 ZINC000001870332 553999920 /nfs/dbraw/zinc/99/99/20/553999920.db2.gz UZWKLBMBMIUGSR-UHFFFAOYSA-N 0 0 453.438 6.944 40 5 JKBBRN CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001944463 554005596 /nfs/dbraw/zinc/00/55/96/554005596.db2.gz KSODLEMUCPCPEQ-AWEZNQCLSA-N 0 0 460.552 5.002 40 5 JKBBRN CCOC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001944464 554005638 /nfs/dbraw/zinc/00/56/38/554005638.db2.gz KSODLEMUCPCPEQ-CQSZACIVSA-N 0 0 460.552 5.002 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)o1 ZINC000002080559 554026736 /nfs/dbraw/zinc/02/67/36/554026736.db2.gz OQKANZNSIQHMHG-RGVLZGJSSA-N 0 0 481.442 5.008 40 5 JKBBRN COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1OC ZINC000002337191 554154650 /nfs/dbraw/zinc/15/46/50/554154650.db2.gz QDIXKEGDBTYJGN-MRLUPLGUSA-N 0 0 490.943 5.253 40 5 JKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)c3)oc2c(C)c1 ZINC000002383670 554176792 /nfs/dbraw/zinc/17/67/92/554176792.db2.gz ANBKEEHZKDWEDU-UHFFFAOYSA-N 0 0 467.481 6.841 40 5 JKBBRN O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(SC(F)(F)F)c1 ZINC000002685222 554282706 /nfs/dbraw/zinc/28/27/06/554282706.db2.gz XYCFMCVCRZAKGE-UHFFFAOYSA-N 0 0 456.389 5.956 40 5 JKBBRN O=[N+]([O-])c1cccc(Nc2nc(SCc3ccccc3)c(SCc3ccccc3)s2)c1 ZINC000003351091 554456627 /nfs/dbraw/zinc/45/66/27/554456627.db2.gz NANNQVNDPRAEAF-UHFFFAOYSA-N 0 0 465.625 7.380 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc3c(c2)OCO3)cc1/C=C\c1ccc2c(c1)OCO2 ZINC000005080546 554486208 /nfs/dbraw/zinc/48/62/08/554486208.db2.gz NGMRWNUPBHUVGP-IOBHVTPZSA-N 0 0 460.398 5.301 40 5 JKBBRN COc1ccc(OC)c(/C=C\c2cc(/C=C\c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005080556 554486303 /nfs/dbraw/zinc/48/63/03/554486303.db2.gz NCPLDOOQUOIPTK-SFECMWDFSA-N 0 0 492.484 5.878 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1[C@@H](Sc1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005573416 554492340 /nfs/dbraw/zinc/49/23/40/554492340.db2.gz ZDHLPGACZRGMKP-VWLOTQADSA-N 0 0 485.521 6.637 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)cc1 ZINC000005944364 554496898 /nfs/dbraw/zinc/49/68/98/554496898.db2.gz IEKOMIKXHKNHGE-UHFFFAOYSA-N 0 0 486.572 5.997 40 5 JKBBRN C[C@@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006177393 554515087 /nfs/dbraw/zinc/51/50/87/554515087.db2.gz XRZAOABUIRWUJX-MRXNPFEDSA-N 0 0 451.552 5.343 40 5 JKBBRN Cc1nc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000006177611 554515320 /nfs/dbraw/zinc/51/53/20/554515320.db2.gz KMAZUKTXXWXORM-UHFFFAOYSA-N 0 0 457.334 6.218 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccc(Cl)cc2)cc1 ZINC000006280109 554524240 /nfs/dbraw/zinc/52/42/40/554524240.db2.gz BPGRQEZZQNLKNK-UHFFFAOYSA-N 0 0 493.976 5.844 40 5 JKBBRN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000006284330 554526995 /nfs/dbraw/zinc/52/69/95/554526995.db2.gz BAVNGEWIIRKZLO-UHFFFAOYSA-N 0 0 456.502 5.818 40 5 JKBBRN Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2cccc(Cl)c2)c1 ZINC000006442750 554537216 /nfs/dbraw/zinc/53/72/16/554537216.db2.gz RFSMIFSROOPFIY-INIZCTEOSA-N 0 0 493.976 5.924 40 5 JKBBRN O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474692 554544347 /nfs/dbraw/zinc/54/43/47/554544347.db2.gz YOHJQCNNZZUTBW-UHFFFAOYSA-N 0 0 494.964 5.172 40 5 JKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474825 554544536 /nfs/dbraw/zinc/54/45/36/554544536.db2.gz LHYUCJMJDDBRBX-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN O=C(CSc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] ZINC000006474813 554544553 /nfs/dbraw/zinc/54/45/53/554544553.db2.gz SODKGCKILQLRRK-UHFFFAOYSA-N 0 0 495.948 5.139 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000008768563 554669182 /nfs/dbraw/zinc/66/91/82/554669182.db2.gz UVOIYDICFROMMT-UHFFFAOYSA-N 0 0 452.532 5.031 40 5 JKBBRN CC1(COC(=O)N2CCC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2-c2ccccc21 ZINC000008815576 554697036 /nfs/dbraw/zinc/69/70/36/554697036.db2.gz PFPQPFZIKBLXLW-XMMPIXPASA-N 0 0 471.513 5.121 40 5 JKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000008831040 554720976 /nfs/dbraw/zinc/72/09/76/554720976.db2.gz QENUQSFCWNXPQD-UHFFFAOYSA-N 0 0 460.515 5.455 40 5 JKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000008831154 554721363 /nfs/dbraw/zinc/72/13/63/554721363.db2.gz NBDGYRGRLIUASY-UHFFFAOYSA-N 0 0 460.515 5.455 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cccc2c(Cl)cccc12 ZINC000008831134 554721382 /nfs/dbraw/zinc/72/13/82/554721382.db2.gz QIEKCPDPIJWEDA-UHFFFAOYSA-N 0 0 468.947 5.652 40 5 JKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000008831852 554724084 /nfs/dbraw/zinc/72/40/84/554724084.db2.gz KNZLOOZXDPIMIN-UHFFFAOYSA-N 0 0 458.543 6.032 40 5 JKBBRN O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008831856 554724233 /nfs/dbraw/zinc/72/42/33/554724233.db2.gz PKVOMLBZMDNIAA-UHFFFAOYSA-N 0 0 458.543 5.402 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl ZINC000008831866 554724247 /nfs/dbraw/zinc/72/42/47/554724247.db2.gz LJCSLSDSRCQKDD-UXBLZVDNSA-N 0 0 453.285 6.097 40 5 JKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008832072 554725089 /nfs/dbraw/zinc/72/50/89/554725089.db2.gz JFEQPQHQGNHSAO-UHFFFAOYSA-N 0 0 460.298 6.537 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000008832112 554725233 /nfs/dbraw/zinc/72/52/33/554725233.db2.gz MQIVXVHOLHYBIJ-UKTHLTGXSA-N 0 0 469.884 6.862 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] ZINC000008832117 554725277 /nfs/dbraw/zinc/72/52/77/554725277.db2.gz RNTSYVGUQXSNIK-UHFFFAOYSA-N 0 0 457.873 6.770 40 5 JKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 ZINC000008832439 554726727 /nfs/dbraw/zinc/72/67/27/554726727.db2.gz VUZIFDJMVTZAQT-CYBMUJFWSA-N 0 0 467.547 5.419 40 5 JKBBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 ZINC000008832457 554726774 /nfs/dbraw/zinc/72/67/74/554726774.db2.gz CGHUDNUOGKCDQB-CQSZACIVSA-N 0 0 467.547 5.419 40 5 JKBBRN COc1c(Br)c2ccccc2cc1C(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000008833223 554730417 /nfs/dbraw/zinc/73/04/17/554730417.db2.gz GVCPTJJEWIWBEQ-UHFFFAOYSA-N 0 0 494.754 5.299 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000008833307 554730566 /nfs/dbraw/zinc/73/05/66/554730566.db2.gz BSHHSZSDHIODHW-ZZXKWVIFSA-N 0 0 480.304 5.827 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000008833305 554730568 /nfs/dbraw/zinc/73/05/68/554730568.db2.gz QARKGTNPABHHBH-QPJJXVBHSA-N 0 0 492.340 5.697 40 5 JKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1[N+](=O)[O-] ZINC000008835263 554733980 /nfs/dbraw/zinc/73/39/80/554733980.db2.gz IRBKUJKSZPIVCX-UHFFFAOYSA-N 0 0 478.555 5.315 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000008835326 554734197 /nfs/dbraw/zinc/73/41/97/554734197.db2.gz LHEUVSASPHCBSD-UHFFFAOYSA-N 0 0 490.541 5.662 40 5 JKBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC ZINC000008835622 554735018 /nfs/dbraw/zinc/73/50/18/554735018.db2.gz QCJSWJYQDJRJCF-UHFFFAOYSA-N 0 0 496.545 5.119 40 5 JKBBRN COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000008836552 554736628 /nfs/dbraw/zinc/73/66/28/554736628.db2.gz VNLGKTVCIIXHRS-NGSHPTGOSA-N 0 0 460.917 5.245 40 5 JKBBRN CN(CCOC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000008857462 554754000 /nfs/dbraw/zinc/75/40/00/554754000.db2.gz KOXXRXPDQKIWQZ-UHFFFAOYSA-N 0 0 458.436 5.425 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000008893125 554781649 /nfs/dbraw/zinc/78/16/49/554781649.db2.gz CRZZWTBNMVZUDM-UHFFFAOYSA-N 0 0 482.974 5.960 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000008894088 554783174 /nfs/dbraw/zinc/78/31/74/554783174.db2.gz MPEFEULZYKRLIZ-UHFFFAOYSA-N 0 0 490.566 5.424 40 5 JKBBRN O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008898689 554789430 /nfs/dbraw/zinc/78/94/30/554789430.db2.gz DYDYEDHJWHFEGA-UHFFFAOYSA-N 0 0 490.741 5.233 40 5 JKBBRN O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008898871 554789528 /nfs/dbraw/zinc/78/95/28/554789528.db2.gz SDSUMZJXOJCTHA-UHFFFAOYSA-N 0 0 494.960 5.614 40 5 JKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000008898898 554789549 /nfs/dbraw/zinc/78/95/49/554789549.db2.gz FVMGXBIHDVLLTK-UHFFFAOYSA-N 0 0 474.325 6.196 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000008899169 554790004 /nfs/dbraw/zinc/79/00/04/554790004.db2.gz CTISLPPLXPTZDZ-KRXBUXKQSA-N 0 0 488.714 7.015 40 5 JKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000008899434 554790550 /nfs/dbraw/zinc/79/05/50/554790550.db2.gz WZBYFXBKOFSYKT-UHFFFAOYSA-N 0 0 486.528 5.615 40 5 JKBBRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000008900895 554793725 /nfs/dbraw/zinc/79/37/25/554793725.db2.gz NIHSONONLLQXQV-UHFFFAOYSA-N 0 0 494.935 5.362 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008900947 554793743 /nfs/dbraw/zinc/79/37/43/554793743.db2.gz ZKVQWSWWGUUQIO-UHFFFAOYSA-N 0 0 498.539 6.144 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008900936 554793786 /nfs/dbraw/zinc/79/37/86/554793786.db2.gz OXQUWKRMPCZUSV-UHFFFAOYSA-N 0 0 481.464 6.414 40 5 JKBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000008901720 554795219 /nfs/dbraw/zinc/79/52/19/554795219.db2.gz QLOKALMEQMKMNS-UHFFFAOYSA-N 0 0 496.951 5.209 40 5 JKBBRN CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008901737 554795238 /nfs/dbraw/zinc/79/52/38/554795238.db2.gz BPIHJJDAUVLGGG-WEVVVXLNSA-N 0 0 491.375 5.002 40 5 JKBBRN O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000008901825 554795469 /nfs/dbraw/zinc/79/54/69/554795469.db2.gz JADVTEXLHPCFLJ-UHFFFAOYSA-N 0 0 499.354 5.116 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008902511 554796282 /nfs/dbraw/zinc/79/62/82/554796282.db2.gz USKOAWCXILCRBF-RMKNXTFCSA-N 0 0 488.327 5.650 40 5 JKBBRN O=C(Nc1nc2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2s1)c1ccco1 ZINC000008902752 554796502 /nfs/dbraw/zinc/79/65/02/554796502.db2.gz GYNSDYFHZRRRBP-UHFFFAOYSA-N 0 0 491.529 5.292 40 5 JKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000008903229 554797227 /nfs/dbraw/zinc/79/72/27/554797227.db2.gz BAWDZWAQLZZYOD-WEVVVXLNSA-N 0 0 459.911 5.467 40 5 JKBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)sc2c1 ZINC000008903664 554797721 /nfs/dbraw/zinc/79/77/21/554797721.db2.gz TZBVWIUSRITOSQ-UHFFFAOYSA-N 0 0 475.935 5.890 40 5 JKBBRN O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000008926553 554823532 /nfs/dbraw/zinc/82/35/32/554823532.db2.gz JCTDSQRZJZMCSH-UHFFFAOYSA-N 0 0 450.907 5.589 40 5 JKBBRN C[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000008965775 554841045 /nfs/dbraw/zinc/84/10/45/554841045.db2.gz FCUDTFSZOAMCDU-KZNAEPCWSA-N 0 0 465.579 5.113 40 5 JKBBRN CCOc1cc(C=C2SC(=S)NC2=O)cc([N+](=O)[O-])c1OCCCOc1cccc(C)c1 ZINC000008993770 554854085 /nfs/dbraw/zinc/85/40/85/554854085.db2.gz FYDHAQLAVLWLNE-UYRXBGFRSA-N 0 0 474.560 5.479 40 5 JKBBRN CN(C)c1ccc([C@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1 ZINC000009008995 554863030 /nfs/dbraw/zinc/86/30/30/554863030.db2.gz WGCKGYUFBBLHEK-CQJMVLFOSA-N 0 0 473.960 5.302 40 5 JKBBRN Cc1sc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n(-c3ccccc3)c(=O)c2c1C ZINC000009010512 554863925 /nfs/dbraw/zinc/86/39/25/554863925.db2.gz LQAXVLBWFZUAAT-UHFFFAOYSA-N 0 0 480.571 5.011 40 5 JKBBRN O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000009052871 554872960 /nfs/dbraw/zinc/87/29/60/554872960.db2.gz FFIDQFLEGTULHS-UHFFFAOYSA-N 0 0 451.552 5.013 40 5 JKBBRN Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000009056736 554875467 /nfs/dbraw/zinc/87/54/67/554875467.db2.gz IEFQCZCUBROMGX-UHFFFAOYSA-N 0 0 494.960 5.932 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2cccc(Cl)c2)c1 ZINC000009062463 554880232 /nfs/dbraw/zinc/88/02/32/554880232.db2.gz MEAHZZJGFGOAEP-UHFFFAOYSA-N 0 0 479.905 5.271 40 5 JKBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(Cl)c1 ZINC000009062485 554880262 /nfs/dbraw/zinc/88/02/62/554880262.db2.gz CPVVIJDDLXUAPK-UHFFFAOYSA-N 0 0 479.905 5.271 40 5 JKBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1C ZINC000009064585 554882688 /nfs/dbraw/zinc/88/26/88/554882688.db2.gz DZBCTCSKMZPWCH-UHFFFAOYSA-N 0 0 458.337 5.254 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(I)cc1 ZINC000009140121 554934823 /nfs/dbraw/zinc/93/48/23/554934823.db2.gz GSLFJSONRQOBEK-ZRDIBKRKSA-N 0 0 460.227 5.111 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000009232573 555004785 /nfs/dbraw/zinc/00/47/85/555004785.db2.gz GYRMNZPOWQKWLV-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc2ccccc2c1 ZINC000009233165 555005706 /nfs/dbraw/zinc/00/57/06/555005706.db2.gz SZANDLZXIGUWQM-WGOQTCKBSA-N 0 0 496.544 6.564 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000009570490 555368293 /nfs/dbraw/zinc/36/82/93/555368293.db2.gz LIJNWKADAGRHKJ-UHFFFAOYSA-N 0 0 493.976 5.459 40 5 JKBBRN O=C(CN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000013371472 555392320 /nfs/dbraw/zinc/39/23/20/555392320.db2.gz KMWWMFJUEGCBCQ-UHFFFAOYSA-N 0 0 492.746 5.836 40 5 JKBBRN O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013371650 555392407 /nfs/dbraw/zinc/39/24/07/555392407.db2.gz BSSFRHIXEUIVKY-UHFFFAOYSA-N 0 0 459.849 5.494 40 5 JKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000013371475 555392432 /nfs/dbraw/zinc/39/24/32/555392432.db2.gz LWTPGKXBXIGFAR-UHFFFAOYSA-N 0 0 456.252 5.113 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)sc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000013388572 555394155 /nfs/dbraw/zinc/39/41/55/555394155.db2.gz YCIBMGLTSDUOMR-UHFFFAOYSA-N 0 0 487.921 5.218 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc(C)c2C)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013424280 555398475 /nfs/dbraw/zinc/39/84/75/555398475.db2.gz SYJVAXOZSOSODF-UHFFFAOYSA-N 0 0 481.530 5.181 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2cccc(Cl)c2)sc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000013424289 555398534 /nfs/dbraw/zinc/39/85/34/555398534.db2.gz WANCKIHAYBGMJY-UHFFFAOYSA-N 0 0 487.921 5.218 40 5 JKBBRN O=c1c2cc(Cl)ccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1c(Cl)cccc1Cl ZINC000013476288 555402874 /nfs/dbraw/zinc/40/28/74/555402874.db2.gz DASOUXDTGUOCLD-WDZFZDKYSA-N 0 0 472.715 6.425 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)Nc3ccc(Cl)cc3)c2C)n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013500036 555435655 /nfs/dbraw/zinc/43/56/55/555435655.db2.gz QUCDCPNFRRKTLE-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2c(ncc(NC(=O)c3cccc(Cl)c3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500043 555436016 /nfs/dbraw/zinc/43/60/16/555436016.db2.gz UCONCYDNCWPJNG-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509763 555481792 /nfs/dbraw/zinc/48/17/92/555481792.db2.gz OIRZSXQWNLWZTN-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013509784 555481795 /nfs/dbraw/zinc/48/17/95/555481795.db2.gz BLKLETCJKQWZMZ-UHFFFAOYSA-N 0 0 472.549 5.361 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)c(Cl)c2)cc1 ZINC000019856656 555516901 /nfs/dbraw/zinc/51/69/01/555516901.db2.gz BMJGXZSOKRDYGT-UHFFFAOYSA-N 0 0 487.965 5.007 40 5 JKBBRN Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000019856771 555517414 /nfs/dbraw/zinc/51/74/14/555517414.db2.gz WUKUHLBSKMHCOH-UHFFFAOYSA-N 0 0 487.965 5.007 40 5 JKBBRN O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000013602157 555530357 /nfs/dbraw/zinc/53/03/57/555530357.db2.gz RWFSRHHFKYYKHL-UHFFFAOYSA-N 0 0 490.209 5.131 40 5 JKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1Br ZINC000019894543 555533005 /nfs/dbraw/zinc/53/30/05/555533005.db2.gz DPEWOIXBUXBDTK-UHFFFAOYSA-N 0 0 480.343 6.400 40 5 JKBBRN CCn1c(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)nnc1-c1ccccc1Cl ZINC000019928275 555543541 /nfs/dbraw/zinc/54/35/41/555543541.db2.gz XISBPSVVRBVOGB-UHFFFAOYSA-N 0 0 486.768 5.564 40 5 JKBBRN O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000019929098 555545338 /nfs/dbraw/zinc/54/53/38/555545338.db2.gz NQJPCUJTJMSKPR-UHFFFAOYSA-N 0 0 489.724 5.248 40 5 JKBBRN COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)n[nH]1 ZINC000019929196 555545775 /nfs/dbraw/zinc/54/57/75/555545775.db2.gz RHEJSQOQOWCOAP-UHFFFAOYSA-N 0 0 488.740 5.080 40 5 JKBBRN CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(Cl)cc1Cl ZINC000009848753 555550888 /nfs/dbraw/zinc/55/08/88/555550888.db2.gz IIQZDVQGPUFMDV-UHFFFAOYSA-N 0 0 486.768 5.564 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc21 ZINC000010010620 555592973 /nfs/dbraw/zinc/59/29/73/555592973.db2.gz JIYHVLGHUAMNCN-VQHVLOKHSA-N 0 0 455.879 5.778 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)nc21 ZINC000010010626 555592986 /nfs/dbraw/zinc/59/29/86/555592986.db2.gz UKUHWTJYASBHOK-SOFGYWHQSA-N 0 0 490.324 6.432 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)nc21 ZINC000010010623 555593046 /nfs/dbraw/zinc/59/30/46/555593046.db2.gz LUKAOGOJWVEWMO-QPJJXVBHSA-N 0 0 490.324 6.432 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc21 ZINC000010010627 555593062 /nfs/dbraw/zinc/59/30/62/555593062.db2.gz BRBOHYVLUAJJCU-HWKANZROSA-N 0 0 490.324 6.432 40 5 JKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc21 ZINC000010010604 555593111 /nfs/dbraw/zinc/59/31/11/555593111.db2.gz WJTKBKDBDSNQOA-UHFFFAOYSA-N 0 0 458.293 5.381 40 5 JKBBRN Cc1ccc(-n2c(O)c3c(c2O)[C@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000013759321 555612159 /nfs/dbraw/zinc/61/21/59/555612159.db2.gz JPCDTXWJEMQXSW-DTXPUJKBSA-N 0 0 484.555 6.353 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c(Br)c1 ZINC000010119784 555631223 /nfs/dbraw/zinc/63/12/23/555631223.db2.gz YEZIEUCSPSPKMT-IZZDOVSWSA-N 0 0 492.329 6.380 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000010120111 555631937 /nfs/dbraw/zinc/63/19/37/555631937.db2.gz HROAKHPLMVPVIL-UHFFFAOYSA-N 0 0 469.453 5.848 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000010120110 555631994 /nfs/dbraw/zinc/63/19/94/555631994.db2.gz OHJUISPBWFPXCH-UHFFFAOYSA-N 0 0 453.454 6.148 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120094 555632013 /nfs/dbraw/zinc/63/20/13/555632013.db2.gz PBWBTQYICYTBAQ-NTCAYCPXSA-N 0 0 465.465 6.239 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)NCc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)c([N+](=O)[O-])c1 ZINC000010120423 555633089 /nfs/dbraw/zinc/63/30/89/555633089.db2.gz ABYSIDFICVZXLX-UHFFFAOYSA-N 0 0 497.507 6.218 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C(Cl)(c1ccccc1)c1ccccc1 ZINC000010152073 555637243 /nfs/dbraw/zinc/63/72/43/555637243.db2.gz GXVKODXNUZDOBQ-UHFFFAOYSA-N 0 0 470.912 5.947 40 5 JKBBRN C[C@@]1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000013896869 555644315 /nfs/dbraw/zinc/64/43/15/555644315.db2.gz XTVFVZDEWCQZJA-LJAQVGFWSA-N 0 0 461.521 6.682 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)cc2[N+](=O)[O-])CC1 ZINC000020142654 555663603 /nfs/dbraw/zinc/66/36/03/555663603.db2.gz UEBZXDBDPFQHPX-UHFFFAOYSA-N 0 0 469.925 5.489 40 5 JKBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020142616 555663612 /nfs/dbraw/zinc/66/36/12/555663612.db2.gz WGODLNNCTWRWJG-UHFFFAOYSA-N 0 0 455.898 5.243 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000020151017 555667983 /nfs/dbraw/zinc/66/79/83/555667983.db2.gz CKWGNMUXECUQPX-KPKJPENVSA-N 0 0 458.470 5.876 40 5 JKBBRN CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000010338468 555692925 /nfs/dbraw/zinc/69/29/25/555692925.db2.gz AOOGQKFXBAGHAB-UHFFFAOYSA-N 0 0 494.356 5.120 40 5 JKBBRN Cc1ccc2nc(-c3ccc(CNC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)cc3)oc2c1 ZINC000010372895 555700509 /nfs/dbraw/zinc/70/05/09/555700509.db2.gz KMRZVRFJSWZRRK-UHFFFAOYSA-N 0 0 455.514 5.840 40 5 JKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(-c2nc3ccccc3o2)c1O ZINC000010372883 555700544 /nfs/dbraw/zinc/70/05/44/555700544.db2.gz WIOVTJDHBWRPSB-UHFFFAOYSA-N 0 0 457.486 5.868 40 5 JKBBRN COc1ccc(-c2nc3cc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)ccc3o2)cc1 ZINC000010372891 555700603 /nfs/dbraw/zinc/70/06/03/555700603.db2.gz AUCRDJBZBFCLGU-UHFFFAOYSA-N 0 0 457.486 5.862 40 5 JKBBRN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000014152898 555708798 /nfs/dbraw/zinc/70/87/98/555708798.db2.gz MFYSYWMVSDHRIK-UHFFFAOYSA-N 0 0 478.452 5.118 40 5 JKBBRN Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000014269450 555759197 /nfs/dbraw/zinc/75/91/97/555759197.db2.gz NHWHYIWRPDZWQV-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-] ZINC000014269452 555759227 /nfs/dbraw/zinc/75/92/27/555759227.db2.gz DBPCUZXJMPTUPN-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269567 555759411 /nfs/dbraw/zinc/75/94/11/555759411.db2.gz IPMDVRQBTUSJOC-UHFFFAOYSA-N 0 0 453.351 5.019 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014269568 555759462 /nfs/dbraw/zinc/75/94/62/555759462.db2.gz OSKNFPMQIUNDFE-UHFFFAOYSA-N 0 0 453.351 5.019 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000014269970 555760660 /nfs/dbraw/zinc/76/06/60/555760660.db2.gz MOYUWCVKLGPFNY-UHFFFAOYSA-N 0 0 466.302 5.297 40 5 JKBBRN Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cccc1[N+](=O)[O-] ZINC000014269975 555760904 /nfs/dbraw/zinc/76/09/04/555760904.db2.gz UCCKWWIKUQIRMB-UHFFFAOYSA-N 0 0 450.303 5.597 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014270769 555763653 /nfs/dbraw/zinc/76/36/53/555763653.db2.gz SLTZIMKMOQIZAF-UHFFFAOYSA-N 0 0 458.908 5.245 40 5 JKBBRN Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc21 ZINC000014270823 555763869 /nfs/dbraw/zinc/76/38/69/555763869.db2.gz LIQKGBMJXKFYFB-UHFFFAOYSA-N 0 0 452.517 5.208 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000014271075 555764932 /nfs/dbraw/zinc/76/49/32/555764932.db2.gz SGRNKFPHTZKFTO-UHFFFAOYSA-N 0 0 455.923 5.262 40 5 JKBBRN CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1 ZINC000014271120 555764942 /nfs/dbraw/zinc/76/49/42/555764942.db2.gz ZNRBWTAXANIBCU-UHFFFAOYSA-N 0 0 452.536 5.136 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)nnc2-c2ccccc2)cc1 ZINC000011196735 555765964 /nfs/dbraw/zinc/76/59/64/555765964.db2.gz KQNIASDIJALPJM-UHFFFAOYSA-N 0 0 479.949 5.535 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000014271914 555768270 /nfs/dbraw/zinc/76/82/70/555768270.db2.gz FZVQDXMOUSKFLJ-SOFGYWHQSA-N 0 0 472.328 5.524 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 ZINC000014272050 555768505 /nfs/dbraw/zinc/76/85/05/555768505.db2.gz JIRKFFTYWNCWEH-CMDGGOBGSA-N 0 0 470.337 6.830 40 5 JKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014272123 555768833 /nfs/dbraw/zinc/76/88/33/555768833.db2.gz YYHICDIHFLNQTE-UHFFFAOYSA-N 0 0 462.676 6.616 40 5 JKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000014272213 555769083 /nfs/dbraw/zinc/76/90/83/555769083.db2.gz LIWQEEGARWAJPF-RUDMXATFSA-N 0 0 468.296 6.670 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000014272313 555769439 /nfs/dbraw/zinc/76/94/39/555769439.db2.gz OBVJTFXHUWZKRG-UHFFFAOYSA-N 0 0 465.893 6.441 40 5 JKBBRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000014272372 555769639 /nfs/dbraw/zinc/76/96/39/555769639.db2.gz NSOVLDGUIIINRK-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000014272970 555771601 /nfs/dbraw/zinc/77/16/01/555771601.db2.gz RHASNNKPWUOPPG-VOTSOKGWSA-N 0 0 470.117 5.089 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1Cl ZINC000014273040 555771951 /nfs/dbraw/zinc/77/19/51/555771951.db2.gz TVKUGBXLWKSRCI-FMIVXFBMSA-N 0 0 451.866 5.161 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014274980 555778934 /nfs/dbraw/zinc/77/89/34/555778934.db2.gz HLVXNFJTHNABOC-FNORWQNLSA-N 0 0 476.341 5.996 40 5 JKBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C ZINC000014274978 555778966 /nfs/dbraw/zinc/77/89/66/555778966.db2.gz JJVUATGZFUGKNT-VMPITWQZSA-N 0 0 490.368 6.305 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3O)oc2c(C)c1 ZINC000014275055 555779468 /nfs/dbraw/zinc/77/94/68/555779468.db2.gz LPUXVTZLZQGHEX-UHFFFAOYSA-N 0 0 476.514 5.161 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000020353316 555781125 /nfs/dbraw/zinc/78/11/25/555781125.db2.gz OEDOZVFHACPZGA-OAHLLOKOSA-N 0 0 488.569 6.352 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353310 555781190 /nfs/dbraw/zinc/78/11/90/555781190.db2.gz PLUCLYQXDZMVJF-HNNXBMFYSA-N 0 0 474.542 6.043 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277513 555786087 /nfs/dbraw/zinc/78/60/87/555786087.db2.gz QQDPWKKAKDIVHN-UHFFFAOYSA-N 0 0 494.960 5.614 40 5 JKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000014277530 555786222 /nfs/dbraw/zinc/78/62/22/555786222.db2.gz SQHDJGVVOSUDOY-UHFFFAOYSA-N 0 0 478.744 7.084 40 5 JKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277668 555786654 /nfs/dbraw/zinc/78/66/54/555786654.db2.gz AWNHVIRSPLZCSH-UHFFFAOYSA-N 0 0 494.960 5.614 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014278047 555787434 /nfs/dbraw/zinc/78/74/34/555787434.db2.gz DPUBCTJKCPISIQ-VZUCSPMQSA-N 0 0 491.931 6.840 40 5 JKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3C)oc2c(C)c1 ZINC000014278076 555787717 /nfs/dbraw/zinc/78/77/17/555787717.db2.gz DVQSWNNBLRRECE-UHFFFAOYSA-N 0 0 486.528 5.417 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014278166 555788002 /nfs/dbraw/zinc/78/80/02/555788002.db2.gz JMLAAGRHBMOGNI-RMKNXTFCSA-N 0 0 486.336 6.937 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c(Cl)c1 ZINC000014278352 555788282 /nfs/dbraw/zinc/78/82/82/555788282.db2.gz JFPZBPHRFZLOOP-UHFFFAOYSA-N 0 0 476.920 6.217 40 5 JKBBRN O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014278444 555788620 /nfs/dbraw/zinc/78/86/20/555788620.db2.gz TWUSORFUBPQGHR-UHFFFAOYSA-N 0 0 478.512 5.334 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000014278998 555789949 /nfs/dbraw/zinc/78/99/49/555789949.db2.gz FJLUDYPHGHNBKJ-YRNVUSSQSA-N 0 0 476.872 5.682 40 5 JKBBRN CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c1C ZINC000014405335 555808029 /nfs/dbraw/zinc/80/80/29/555808029.db2.gz UYHBRQYKUZOHCR-NTEUORMPSA-N 0 0 461.522 5.112 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000014406314 555808209 /nfs/dbraw/zinc/80/82/09/555808209.db2.gz PGINLMWMTCCLHB-UHFFFAOYSA-N 0 0 463.946 6.908 40 5 JKBBRN Cc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000014412222 555811423 /nfs/dbraw/zinc/81/14/23/555811423.db2.gz KANVCNVKURLJSD-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN Cc1c(NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000014412480 555811665 /nfs/dbraw/zinc/81/16/65/555811665.db2.gz QQYACLQIRDRBAX-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000021579261 555851935 /nfs/dbraw/zinc/85/19/35/555851935.db2.gz WBYYNPKXMSZENN-UHFFFAOYSA-N 0 0 458.474 5.264 40 5 JKBBRN Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c(C)cc1I ZINC000021595418 555853276 /nfs/dbraw/zinc/85/32/76/555853276.db2.gz DEMMXIFGIGSSSC-UHFFFAOYSA-N 0 0 486.718 5.937 40 5 JKBBRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595734 555853588 /nfs/dbraw/zinc/85/35/88/555853588.db2.gz KERUOQOTOGCIGB-UHFFFAOYSA-N 0 0 485.308 6.572 40 5 JKBBRN Cc1ccc2oc(-c3cc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3Cl)nc2c1 ZINC000021595932 555854314 /nfs/dbraw/zinc/85/43/14/555854314.db2.gz BQVMTGTXMPBSJM-UKTHLTGXSA-N 0 0 499.910 7.277 40 5 JKBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000021596133 555854516 /nfs/dbraw/zinc/85/45/16/555854516.db2.gz KPKFCJJCEHBGGR-ACCUITESSA-N 0 0 466.453 6.018 40 5 JKBBRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 ZINC000022066171 555869053 /nfs/dbraw/zinc/86/90/53/555869053.db2.gz OTXWSIGCMVMENA-MHZLTWQESA-N 0 0 463.577 6.197 40 5 in-vitro JKBBRN COc1cc(C(=O)Nc2ccccc2Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000015304258 555894358 /nfs/dbraw/zinc/89/43/58/555894358.db2.gz JSLGXUQSWIUMDJ-UHFFFAOYSA-N 0 0 466.799 6.320 40 5 JKBBRN Cc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCCC3)n2)cc1 ZINC000022257331 555904906 /nfs/dbraw/zinc/90/49/06/555904906.db2.gz RIHXBJLAJZHIDD-UHFFFAOYSA-N 0 0 464.522 5.002 40 5 JKBBRN CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 ZINC000022257625 555905287 /nfs/dbraw/zinc/90/52/87/555905287.db2.gz HDYWTWAHMQGQQL-AWEZNQCLSA-N 0 0 493.347 5.466 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000022565203 555935947 /nfs/dbraw/zinc/93/59/47/555935947.db2.gz IAZZZRBNLRXGPP-UHFFFAOYSA-N 0 0 458.522 5.044 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000022566933 555936158 /nfs/dbraw/zinc/93/61/58/555936158.db2.gz BIFNRBCCSFKYMV-INIZCTEOSA-N 0 0 459.502 6.568 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022567619 555936530 /nfs/dbraw/zinc/93/65/30/555936530.db2.gz PIGIFWFOFBXLAA-RMKNXTFCSA-N 0 0 460.298 6.423 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022567816 555936563 /nfs/dbraw/zinc/93/65/63/555936563.db2.gz SLIICLJLMYQHIG-CQSZACIVSA-N 0 0 460.446 6.077 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022567820 555936586 /nfs/dbraw/zinc/93/65/86/555936586.db2.gz SLIICLJLMYQHIG-AWEZNQCLSA-N 0 0 460.446 6.077 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000022706250 555943486 /nfs/dbraw/zinc/94/34/86/555943486.db2.gz BDYMTMMMCIJPAK-UXBLZVDNSA-N 0 0 470.337 6.830 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(C)c(Cl)c2)o1 ZINC000022707866 555944256 /nfs/dbraw/zinc/94/42/56/555944256.db2.gz ZUFSOVWFQRVRLR-JXMROGBWSA-N 0 0 471.922 5.352 40 5 JKBBRN CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1 ZINC000022708170 555944783 /nfs/dbraw/zinc/94/47/83/555944783.db2.gz FJQGMELYPHSCIS-UHFFFAOYSA-N 0 0 472.501 5.054 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000022709034 555945055 /nfs/dbraw/zinc/94/50/55/555945055.db2.gz RAKLFOKQRQBGOH-UHFFFAOYSA-N 0 0 473.312 5.925 40 5 JKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000022714881 555947177 /nfs/dbraw/zinc/94/71/77/555947177.db2.gz YPBAOPBHHDJISV-UHFFFAOYSA-N 0 0 478.555 5.315 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022715405 555947213 /nfs/dbraw/zinc/94/72/13/555947213.db2.gz KOLGNJPKNUQIMB-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 ZINC000022744287 555950394 /nfs/dbraw/zinc/95/03/94/555950394.db2.gz DVTUQKGSZQCJPR-UHFFFAOYSA-N 0 0 486.572 5.997 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000022745044 555950407 /nfs/dbraw/zinc/95/04/07/555950407.db2.gz IOTKFNIILVKFAG-UHFFFAOYSA-N 0 0 487.339 6.234 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000022745040 555950413 /nfs/dbraw/zinc/95/04/13/555950413.db2.gz KBVOSJJZPPZIDP-UHFFFAOYSA-N 0 0 487.339 6.234 40 5 JKBBRN O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000022749595 555952012 /nfs/dbraw/zinc/95/20/12/555952012.db2.gz XAFKTNGKYDNSHQ-UHFFFAOYSA-N 0 0 491.510 5.389 40 5 JKBBRN Cc1ccc2nc(-c3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3Cl)oc2c1 ZINC000022751198 555952690 /nfs/dbraw/zinc/95/26/90/555952690.db2.gz JFSXNKPZIGNPPP-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)cc1Cl ZINC000022751201 555952727 /nfs/dbraw/zinc/95/27/27/555952727.db2.gz JSFXNYUBWAUDSV-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000022820053 555955017 /nfs/dbraw/zinc/95/50/17/555955017.db2.gz AFSBZSSRKNCGSL-AWNIVKPZSA-N 0 0 499.350 6.325 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000012469608 555982011 /nfs/dbraw/zinc/98/20/11/555982011.db2.gz UHIPUGGRHKHVCI-AWEZNQCLSA-N 0 0 470.620 5.790 40 5 JKBBRN CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000012485493 555987321 /nfs/dbraw/zinc/98/73/21/555987321.db2.gz GSYHLUQAOAAPSU-UHFFFAOYSA-N 0 0 465.307 5.190 40 5 JKBBRN COc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nc(-c3ccccc3)nc12 ZINC000012486326 555988006 /nfs/dbraw/zinc/98/80/06/555988006.db2.gz DTJAFFVHPLIONS-UHFFFAOYSA-N 0 0 460.515 5.253 40 5 JKBBRN COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000012488014 555988362 /nfs/dbraw/zinc/98/83/62/555988362.db2.gz VERMOYFHGNDLHY-UHFFFAOYSA-N 0 0 460.515 5.253 40 5 JKBBRN C[C@]12C[C@H](CC(C)(C)C1)N(C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl)C2 ZINC000012542484 556017723 /nfs/dbraw/zinc/01/77/23/556017723.db2.gz YSITVHDEIGBBOV-SIBVEZHUSA-N 0 0 499.995 5.444 40 5 JKBBRN O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012844425 556117115 /nfs/dbraw/zinc/11/71/15/556117115.db2.gz LJQXADZYRSERTJ-UHFFFAOYSA-N 0 0 458.805 5.048 40 5 JKBBRN COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000016228429 556130421 /nfs/dbraw/zinc/13/04/21/556130421.db2.gz IWZPYVWXMYTTMZ-OAQYLSRUSA-N 0 0 480.318 5.357 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)CCCCC(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000016268094 556131587 /nfs/dbraw/zinc/13/15/87/556131587.db2.gz JZIADHQATXXOKK-UHFFFAOYSA-N 0 0 483.308 5.564 40 5 JKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016284340 556133075 /nfs/dbraw/zinc/13/30/75/556133075.db2.gz MFVNTHSCFJNLHU-ZRDIBKRKSA-N 0 0 483.915 6.096 40 5 JKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)c(Cl)c2)c1 ZINC000024522749 556133592 /nfs/dbraw/zinc/13/35/92/556133592.db2.gz TXQHVQFFBXCWOX-PKNBQFBNSA-N 0 0 452.297 6.594 40 5 JKBBRN Cc1ccc(N2C[C@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)CC2=O)cc1 ZINC000016292920 556133880 /nfs/dbraw/zinc/13/38/80/556133880.db2.gz USEDSWUCQARZAV-GOSISDBHSA-N 0 0 480.904 5.445 40 5 JKBBRN Cc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000016293542 556134369 /nfs/dbraw/zinc/13/43/69/556134369.db2.gz XGAPATJRIJZGSQ-WFYKWJGLSA-N 0 0 479.496 6.686 40 5 JKBBRN Cc1ccc(NC(=O)OCc2ccccc2[N+](=O)[O-])cc1NC(=O)OCc1ccccc1[N+](=O)[O-] ZINC000016347556 556135991 /nfs/dbraw/zinc/13/59/91/556135991.db2.gz GWGMGDHMJNFBEX-UHFFFAOYSA-N 0 0 480.433 5.309 40 5 JKBBRN O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000016385902 556136942 /nfs/dbraw/zinc/13/69/42/556136942.db2.gz JBKSREBKRTUPBM-FMQZQXMHSA-N 0 0 465.195 5.784 40 5 JKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc([N+](=O)[O-])c1 ZINC000016399794 556137500 /nfs/dbraw/zinc/13/75/00/556137500.db2.gz YBZIYIVYFDBKOP-UHFFFAOYSA-N 0 0 489.340 5.281 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016399979 556137815 /nfs/dbraw/zinc/13/78/15/556137815.db2.gz MAINKNPWMVWVPC-UHFFFAOYSA-N 0 0 458.908 5.245 40 5 JKBBRN O=C(COC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000016430191 556138904 /nfs/dbraw/zinc/13/89/04/556138904.db2.gz APFMRAAXCNFWNO-UHFFFAOYSA-N 0 0 486.436 5.272 40 5 JKBBRN O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000016450622 556139798 /nfs/dbraw/zinc/13/97/98/556139798.db2.gz AIUFDONWLLYTEG-UHFFFAOYSA-N 0 0 470.938 5.235 40 5 JKBBRN O=C(c1ccccc1)c1cc2c(ccc3ccccc32)[o+]c1C=Cc1c(O)ccc2ccccc21 ZINC000016476975 556140030 /nfs/dbraw/zinc/14/00/30/556140030.db2.gz YPZPMEPZKJQBBS-UHFFFAOYSA-O 0 0 453.517 8.127 40 5 JKBBRN O=C(c1ccccc1)c1ccc(Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000016492276 556141250 /nfs/dbraw/zinc/14/12/50/556141250.db2.gz IFZQRJBFSUWXDX-UHFFFAOYSA-N 0 0 478.529 7.299 40 5 JKBBRN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1-n1c(-c2ccccc2)nnc1-c1ccccc1 ZINC000016493533 556141459 /nfs/dbraw/zinc/14/14/59/556141459.db2.gz AAKITKFZSFQJEK-UHFFFAOYSA-N 0 0 470.492 6.120 40 5 JKBBRN O=C(Nc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000016526129 556142037 /nfs/dbraw/zinc/14/20/37/556142037.db2.gz DDPYEIOARMYXJU-UHFFFAOYSA-N 0 0 475.460 7.069 40 5 JKBBRN CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000016574970 556144729 /nfs/dbraw/zinc/14/47/29/556144729.db2.gz GDSBFCSVJYJAFA-UHFFFAOYSA-N 0 0 462.458 5.021 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610760 556146672 /nfs/dbraw/zinc/14/66/72/556146672.db2.gz PBTNOTZJXFKAIG-AWEZNQCLSA-N 0 0 460.446 6.077 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000016611077 556147252 /nfs/dbraw/zinc/14/72/52/556147252.db2.gz PXSQVAFRSPWXDN-HNNXBMFYSA-N 0 0 488.569 6.352 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611224 556147819 /nfs/dbraw/zinc/14/78/19/556147819.db2.gz VCENMERFLUTICS-OAHLLOKOSA-N 0 0 474.542 6.043 40 5 JKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000016637063 556148807 /nfs/dbraw/zinc/14/88/07/556148807.db2.gz AHBQOSWBAOZAEF-WEVVVXLNSA-N 0 0 481.361 5.167 40 5 JKBBRN CCCCOC(=O)c1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OCC)cc3)n2)cc1 ZINC000016639053 556149349 /nfs/dbraw/zinc/14/93/49/556149349.db2.gz OVBXWNNIJQVRTF-UHFFFAOYSA-N 0 0 465.510 5.536 40 5 JKBBRN O=C(c1ccccc1Cl)N1N=C(c2ccccc2)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O ZINC000016758421 556158510 /nfs/dbraw/zinc/15/85/10/556158510.db2.gz PTAPYJSHRRHEDT-ZHZULCJRSA-N 0 0 463.902 5.367 40 5 JKBBRN Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Sc2ccc([N+](=O)[O-])cc2)CS1 ZINC000016779176 556159081 /nfs/dbraw/zinc/15/90/81/556159081.db2.gz UOQVQXFGBAILGX-AZUAARDMSA-N 0 0 481.624 5.839 40 5 JKBBRN COc1ccc(OC)c(/C=C/c2cc(/C=C\c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000016926310 556180683 /nfs/dbraw/zinc/18/06/83/556180683.db2.gz NCPLDOOQUOIPTK-CGXWXWIYSA-N 0 0 492.484 5.878 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2cccc3ccccc23)cc1/C=C/c1cccc2ccccc12 ZINC000016926357 556180698 /nfs/dbraw/zinc/18/06/98/556180698.db2.gz RGHATJSZJXJOTP-YTEMWHBBSA-N 0 0 472.500 8.150 40 5 JKBBRN Cc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)cs/c2=N\C(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000017784334 556266647 /nfs/dbraw/zinc/26/66/47/556266647.db2.gz ATYYMJNNPFSSOV-IZHYLOQSSA-N 0 0 474.498 5.380 40 5 JKBBRN O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017828945 556267962 /nfs/dbraw/zinc/26/79/62/556267962.db2.gz IDVKQBVDVQJYBZ-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4nc5ccccc5s4)c3cc2c1 ZINC000013086158 556285799 /nfs/dbraw/zinc/28/57/99/556285799.db2.gz JRAILNBPIJTWPZ-UHFFFAOYSA-N 0 0 489.607 5.742 40 5 JKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)Nc4nc5ccccc5s4)c3cc2c1 ZINC000013086156 556285880 /nfs/dbraw/zinc/28/58/80/556285880.db2.gz DFFNWRHSZKIZHR-UHFFFAOYSA-N 0 0 487.635 6.350 40 5 JKBBRN CCOc1ccc([N+](=O)[O-])cc1C1N(Cc2ccc(OC)cc2)CCCN1Cc1ccc(OC)cc1 ZINC000019326425 556341811 /nfs/dbraw/zinc/34/18/11/556341811.db2.gz PAOVYVQCDIVWGZ-UHFFFAOYSA-N 0 0 491.588 5.417 40 5 JKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3)nc2c1 ZINC000032109329 556418698 /nfs/dbraw/zinc/41/86/98/556418698.db2.gz PQPCAAHRFODZOL-UHFFFAOYSA-N 0 0 473.872 6.877 40 5 JKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000032109341 556419079 /nfs/dbraw/zinc/41/90/79/556419079.db2.gz OBYXFQVHSMFXMM-UHFFFAOYSA-N 0 0 480.933 5.800 40 5 JKBBRN CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)cc1 ZINC000032109513 556419259 /nfs/dbraw/zinc/41/92/59/556419259.db2.gz FDHVOUJGKDQMTK-UYRXBGFRSA-N 0 0 458.561 5.679 40 5 JKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032112030 556420798 /nfs/dbraw/zinc/42/07/98/556420798.db2.gz WFRXLHWADQGZBF-UHFFFAOYSA-N 0 0 473.872 6.227 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115512 556422690 /nfs/dbraw/zinc/42/26/90/556422690.db2.gz JXFDBNCKWHLLOK-QHHAFSJGSA-N 0 0 490.249 6.640 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032115493 556422712 /nfs/dbraw/zinc/42/27/12/556422712.db2.gz DUVBMVXKURRFTI-UHFFFAOYSA-N 0 0 464.211 6.240 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(C)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000032124716 556427703 /nfs/dbraw/zinc/42/77/03/556427703.db2.gz GJWUJFABWZWPEO-UCQKPKSFSA-N 0 0 476.579 6.599 40 5 JKBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000032124834 556427772 /nfs/dbraw/zinc/42/77/72/556427772.db2.gz WOMSLWVQPVSPLT-MFOYZWKCSA-N 0 0 485.370 5.223 40 5 JKBBRN COc1cc2sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2cc1Cl ZINC000032127146 556431694 /nfs/dbraw/zinc/43/16/94/556431694.db2.gz OHIHFRKIGZANOY-UHFFFAOYSA-N 0 0 488.934 5.253 40 5 JKBBRN O=C(NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000032204054 556433729 /nfs/dbraw/zinc/43/37/29/556433729.db2.gz QDKKIGSOOAFHRG-UHFFFAOYSA-N 0 0 489.340 5.281 40 5 JKBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057312873 569596293 /nfs/dbraw/zinc/59/62/93/569596293.db2.gz UHMHCKRBBSWYPD-UHFFFAOYSA-N 0 0 464.890 6.227 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057313108 569596457 /nfs/dbraw/zinc/59/64/57/569596457.db2.gz DAPWPMKUCUROLK-UHFFFAOYSA-N 0 0 472.570 6.360 40 5 JKBBRN CCN1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1 ZINC000057313249 569596583 /nfs/dbraw/zinc/59/65/83/569596583.db2.gz KNPSQTVTEOYFLC-UHFFFAOYSA-N 0 0 479.389 5.511 40 5 JKBBRN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000057313514 569596700 /nfs/dbraw/zinc/59/67/00/569596700.db2.gz XFYLVIIKKTWUDZ-UHFFFAOYSA-N 0 0 470.529 6.200 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4cc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057315789 569597218 /nfs/dbraw/zinc/59/72/18/569597218.db2.gz YRGNSSOBXTYKRD-UHFFFAOYSA-N 0 0 498.539 6.082 40 5 JKBBRN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315791 569597257 /nfs/dbraw/zinc/59/72/57/569597257.db2.gz FWZHBKVCJZNTEA-UHFFFAOYSA-N 0 0 450.347 6.359 40 5 JKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3)oc2c1 ZINC000057315822 569597273 /nfs/dbraw/zinc/59/72/73/569597273.db2.gz AVWAPHJWWVTTJK-UHFFFAOYSA-N 0 0 463.902 6.832 40 5 JKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000057315996 569597374 /nfs/dbraw/zinc/59/73/74/569597374.db2.gz IYNQDFTZOSGMSZ-UHFFFAOYSA-N 0 0 486.597 6.669 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C)c1I ZINC000057316163 569597451 /nfs/dbraw/zinc/59/74/51/569597451.db2.gz BYWCKOPWLOTAET-UHFFFAOYSA-N 0 0 462.243 5.329 40 5 JKBBRN O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 ZINC000057317325 569598590 /nfs/dbraw/zinc/59/85/90/569598590.db2.gz YECMJLJDNJLIOE-UHFFFAOYSA-N 0 0 483.805 5.027 40 5 JKBBRN Cc1nnc2sc(-c3cccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)c3)nn12 ZINC000059294168 569602422 /nfs/dbraw/zinc/60/24/22/569602422.db2.gz VRXVQRHSCIRHEZ-UHFFFAOYSA-N 0 0 470.923 5.190 40 5 JKBBRN CCc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000059294357 569602535 /nfs/dbraw/zinc/60/25/35/569602535.db2.gz XMQVAKFKDDTFGS-UHFFFAOYSA-N 0 0 484.556 6.454 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C(C)(C)C)C4)cc2[N+](=O)[O-])CC1 ZINC000059294461 569602601 /nfs/dbraw/zinc/60/26/01/569602601.db2.gz LEUFSCIUFUYEKZ-QGZVFWFLSA-N 0 0 498.649 5.395 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc2oc(-c3ccncc3)nc2c1 ZINC000059294632 569602650 /nfs/dbraw/zinc/60/26/50/569602650.db2.gz YNSDGBBKAFRONW-JXMROGBWSA-N 0 0 452.426 5.710 40 5 JKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3cccc4ccccc43)sc2c1 ZINC000059449300 569603971 /nfs/dbraw/zinc/60/39/71/569603971.db2.gz PIGOHRFMQDECPP-UHFFFAOYSA-N 0 0 497.557 6.451 40 5 JKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463641 569604295 /nfs/dbraw/zinc/60/42/95/569604295.db2.gz STJLVMUPIPRLRZ-UHFFFAOYSA-N 0 0 459.527 6.263 40 5 JKBBRN CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463608 569604297 /nfs/dbraw/zinc/60/42/97/569604297.db2.gz HNHWJUNKLZXWNY-UHFFFAOYSA-N 0 0 487.581 7.125 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463635 569604336 /nfs/dbraw/zinc/60/43/36/569604336.db2.gz RHKBWJBNPQXTCZ-UHFFFAOYSA-N 0 0 474.498 6.163 40 5 JKBBRN O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)Nc1ccc([N+](=O)[O-])cc1 ZINC000059474824 569604496 /nfs/dbraw/zinc/60/44/96/569604496.db2.gz YSWCLMFJMPPPBK-UHFFFAOYSA-N 0 0 498.973 5.841 40 5 JKBBRN Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000059474797 569604552 /nfs/dbraw/zinc/60/45/52/569604552.db2.gz YVOVQIIGPYXCJS-UHFFFAOYSA-N 0 0 478.555 5.496 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 ZINC000059489714 569605937 /nfs/dbraw/zinc/60/59/37/569605937.db2.gz NOTGIEUPWQCZHQ-UHFFFAOYSA-N 0 0 487.584 5.306 40 5 JKBBRN O=C(Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1)c1ccc(Cl)cc1 ZINC000059505865 569606348 /nfs/dbraw/zinc/60/63/48/569606348.db2.gz MBBWRETWLRRIIR-UHFFFAOYSA-N 0 0 455.948 6.403 40 5 JKBBRN COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033537472 569627471 /nfs/dbraw/zinc/62/74/71/569627471.db2.gz HSGBBAZUTQPNOY-UHFFFAOYSA-N 0 0 479.396 5.352 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000033378580 569625291 /nfs/dbraw/zinc/62/52/91/569625291.db2.gz PWVMXNJUBJMCHG-HJWRWDBZSA-N 0 0 493.741 6.455 40 5 JKBBRN CCOc1c(Br)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000033724895 569632095 /nfs/dbraw/zinc/63/20/95/569632095.db2.gz AGKAWXAZXWJSDU-UHFFFAOYSA-N 0 0 471.307 5.587 40 5 JKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033794138 569635359 /nfs/dbraw/zinc/63/53/59/569635359.db2.gz LERUDZKSMLZLHE-UHFFFAOYSA-N 0 0 486.509 5.234 40 5 JKBBRN O=C1[C@@H](c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000033926913 569637699 /nfs/dbraw/zinc/63/76/99/569637699.db2.gz GJIMZCRNDFWIFS-YVHASNINSA-N 0 0 493.519 6.025 40 5 JKBBRN CC(=O)c1sc(=Nc2ccccc2)n(CCNc2cc(C(F)(F)F)ccc2[N+](=O)[O-])c1C ZINC000065090455 569660731 /nfs/dbraw/zinc/66/07/31/569660731.db2.gz VVLNSKLYHZKENL-UHFFFAOYSA-O 0 0 465.477 5.329 40 5 JKBBRN CSc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1[N+](=O)[O-] ZINC000034858969 569667611 /nfs/dbraw/zinc/66/76/11/569667611.db2.gz FGKMGHOJHWPQOV-YCEDGAFSSA-N 0 0 452.576 5.492 40 5 JKBBRN O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 ZINC000034895898 569669502 /nfs/dbraw/zinc/66/95/02/569669502.db2.gz UCWJDHHXSKBUPK-UHFFFAOYSA-N 0 0 478.980 5.354 40 5 JKBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1sc2cc(Cl)ccc2c1Cl ZINC000034896507 569669595 /nfs/dbraw/zinc/66/95/95/569669595.db2.gz KJXPAEBBSGEHFU-UHFFFAOYSA-N 0 0 460.751 5.897 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(Cc3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000035167470 569677015 /nfs/dbraw/zinc/67/70/15/569677015.db2.gz NOAHINWNMZVPDU-UHFFFAOYSA-N 0 0 474.563 7.396 40 5 JKBBRN CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C ZINC000068568390 569691225 /nfs/dbraw/zinc/69/12/25/569691225.db2.gz NHBVYEHJQNLUQX-UHFFFAOYSA-N 0 0 490.690 9.389 40 5 JKBBRN COC(C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000035520087 569698703 /nfs/dbraw/zinc/69/87/03/569698703.db2.gz HUKZTDQYXHSIQK-UHFFFAOYSA-N 0 0 466.493 5.355 40 5 JKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000072229335 569700653 /nfs/dbraw/zinc/70/06/53/569700653.db2.gz QOZRLARHPHAZPR-UHFFFAOYSA-N 0 0 452.736 6.008 40 5 JKBBRN CC1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229350 569700659 /nfs/dbraw/zinc/70/06/59/569700659.db2.gz MHLCZWOFHJYZLH-UHFFFAOYSA-N 0 0 452.736 5.499 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000072229935 569700711 /nfs/dbraw/zinc/70/07/11/569700711.db2.gz BRISWFRWXANROV-XMMPIXPASA-N 0 0 478.888 5.851 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000072229995 569700719 /nfs/dbraw/zinc/70/07/19/569700719.db2.gz GZXKXHHTFBQBHN-QHCPKHFHSA-N 0 0 451.910 5.182 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3[C@H](O)c3ccccc3)cc2[N+](=O)[O-])CC1 ZINC000072229999 569700731 /nfs/dbraw/zinc/70/07/31/569700731.db2.gz ZTQIMRHKENHXRS-RUZDIDTESA-N 0 0 479.964 5.819 40 5 JKBBRN Cc1c2cc(O)ccc2n(Cc2ccc(OCC[N+]3([O-])CCCCCC3)cc2)c1-c1ccc(O)cc1 ZINC000077272253 569705296 /nfs/dbraw/zinc/70/52/96/569705296.db2.gz CFBANWAZVCOMGU-UHFFFAOYSA-N 0 0 486.612 6.344 40 5 in-vitro JKBBRN O=c1[nH]c2ccccc2n1C1CC[N+]([O-])(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000077312480 569706029 /nfs/dbraw/zinc/70/60/29/569706029.db2.gz SAVNBLOUWOJISO-UHFFFAOYSA-N 0 0 477.555 5.870 40 5 in-vitro JKBBRN Cc1ccc(-c2csc(-c3cc4cc(Cl)ccc4o/c3=N\Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000100135624 569753508 /nfs/dbraw/zinc/75/35/08/569753508.db2.gz IGLMXTFRGQCLJA-OLFWJLLRSA-N 0 0 488.956 7.021 40 5 JKBBRN CCCCc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(CCCC)cc3)C2=O)cc1 ZINC000100144168 569753781 /nfs/dbraw/zinc/75/37/81/569753781.db2.gz NELLOWWVGCNFIB-GDLZYMKVSA-N 0 0 483.612 7.364 40 5 JKBBRN COc1cc(C=C2N[C@H](c3ccccc3)N(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C2=O)ccc1O ZINC000100297906 569756899 /nfs/dbraw/zinc/75/68/99/569756899.db2.gz UJEPZFMTORBPDR-KRJVNCKSSA-N 0 0 486.311 5.292 40 5 JKBBRN O=C1NC(=S)NC1=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000100477707 569761933 /nfs/dbraw/zinc/76/19/33/569761933.db2.gz VCPSRTCCPWFBLI-JCMHNJIXSA-N 0 0 466.522 5.065 40 5 JKBBRN O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc2ccccc2o1 ZINC000039772083 569811950 /nfs/dbraw/zinc/81/19/50/569811950.db2.gz MZECYXNJPKDECZ-UHFFFAOYSA-N 0 0 485.481 5.364 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000039860600 569812190 /nfs/dbraw/zinc/81/21/90/569812190.db2.gz XXYPRDRPUNFPOT-VCHYOVAHSA-N 0 0 461.282 6.403 40 5 JKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1cccc2ccccc21 ZINC000102761718 569822318 /nfs/dbraw/zinc/82/23/18/569822318.db2.gz DBBQJJJRVZFRHU-SDHSZQHLSA-N 0 0 499.910 5.453 40 5 JKBBRN COc1ccc(Cn2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)cc1 ZINC000040398708 569825944 /nfs/dbraw/zinc/82/59/44/569825944.db2.gz FQGJPJXNQYDZSQ-UHFFFAOYSA-N 0 0 478.335 5.064 40 5 JKBBRN Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2cccc([N+](=O)[O-])c2)n1 ZINC000040556490 569830271 /nfs/dbraw/zinc/83/02/71/569830271.db2.gz FBMINWNHVNKLLJ-HNNXBMFYSA-N 0 0 459.553 5.125 40 5 JKBBRN COc1ccc(-n2c(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nnc2-c2ccccc2)cc1 ZINC000106335895 569854009 /nfs/dbraw/zinc/85/40/09/569854009.db2.gz CWQMVMLPBLERJC-UHFFFAOYSA-N 0 0 472.448 6.021 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1 ZINC000106681241 569854470 /nfs/dbraw/zinc/85/44/70/569854470.db2.gz DNAODWXCCLRTBJ-OYKKKHCWSA-N 0 0 469.522 5.834 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1Cl ZINC000106683828 569854538 /nfs/dbraw/zinc/85/45/38/569854538.db2.gz OMVLQBJTFJKQHS-XKZIYDEJSA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106685759 569854613 /nfs/dbraw/zinc/85/46/13/569854613.db2.gz QPSATUPEEXJRHK-GRSHGNNSSA-N 0 0 475.309 6.398 40 5 JKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccccc1[N+](=O)[O-] ZINC000106701842 569854787 /nfs/dbraw/zinc/85/47/87/569854787.db2.gz VNBRYTSUXGYSOC-OYKKKHCWSA-N 0 0 490.537 5.727 40 5 JKBBRN COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000106701845 569854794 /nfs/dbraw/zinc/85/47/94/569854794.db2.gz LXNJGCBLKKAVRG-OYKKKHCWSA-N 0 0 490.537 5.727 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000106701918 569854827 /nfs/dbraw/zinc/85/48/27/569854827.db2.gz NTIMEORXGWFJPC-UCQKPKSFSA-N 0 0 460.511 5.719 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)c1 ZINC000106708566 569854972 /nfs/dbraw/zinc/85/49/72/569854972.db2.gz RLIPYDVOFNMZTF-QFEZKATASA-N 0 0 483.549 6.143 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106726814 569855199 /nfs/dbraw/zinc/85/51/99/569855199.db2.gz RYFDPBSUCQGRDM-XKZIYDEJSA-N 0 0 491.481 5.319 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(C)C ZINC000106729233 569855234 /nfs/dbraw/zinc/85/52/34/569855234.db2.gz SVNWABYPHWILKL-MTJSOVHGSA-N 0 0 456.520 5.265 40 5 JKBBRN O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106729019 569855238 /nfs/dbraw/zinc/85/52/38/569855238.db2.gz ATMYAHBWXHMFLR-XYGWBWBKSA-N 0 0 499.548 5.865 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 ZINC000106728527 569855245 /nfs/dbraw/zinc/85/52/45/569855245.db2.gz WNQKFBHLBWZKKN-UNOMPAQXSA-N 0 0 452.513 5.884 40 5 JKBBRN O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728416 569855248 /nfs/dbraw/zinc/85/52/48/569855248.db2.gz OGKBRKNRYAKWPT-WQRHYEAKSA-N 0 0 472.931 6.229 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106734701 569855300 /nfs/dbraw/zinc/85/53/00/569855300.db2.gz HOQIXGLEOIUSBG-JJFYIABZSA-N 0 0 498.919 6.203 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106739323 569855390 /nfs/dbraw/zinc/85/53/90/569855390.db2.gz UTXWLKPFFVRCOR-QQXSKIMKSA-N 0 0 496.544 6.564 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000107647655 569856865 /nfs/dbraw/zinc/85/68/65/569856865.db2.gz CKLYRPQFSVGNSO-IBGZPJMESA-N 0 0 473.986 5.279 40 5 JKBBRN O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107898852 569857871 /nfs/dbraw/zinc/85/78/71/569857871.db2.gz AYOSXXXUWZRMBJ-UHFFFAOYSA-N 0 0 469.828 5.654 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000111453918 569860953 /nfs/dbraw/zinc/86/09/53/569860953.db2.gz JLQQEYBFZWATLP-MOSHPQCFSA-N 0 0 492.871 5.211 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924269 569863727 /nfs/dbraw/zinc/86/37/27/569863727.db2.gz JQQAXXNZGKFEGG-ZEQHCUNVSA-N 0 0 468.122 7.085 40 5 JKBBRN C[C@@]12CCC[C@H]1[C@@H]1C[C@@H]3O[C@@]34C[C@H](OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC[C@]4(C)[C@H]1CC2 ZINC000119090234 569864210 /nfs/dbraw/zinc/86/42/10/569864210.db2.gz UHBQQROSQQYOOK-UBBYKTDRSA-N 0 0 484.549 5.593 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000138524622 569865881 /nfs/dbraw/zinc/86/58/81/569865881.db2.gz HRRDTPYGCKINRA-WKEDTZOBSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 ZINC000138673631 569866154 /nfs/dbraw/zinc/86/61/54/569866154.db2.gz HNYADDICHTXWIO-VUGDJXFHSA-N 0 0 480.611 5.884 40 5 JKBBRN Cc1ccc(COc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]32)cc1 ZINC000138673751 569866173 /nfs/dbraw/zinc/86/61/73/569866173.db2.gz HNYADDICHTXWIO-NNLUDWOUSA-N 0 0 480.611 5.884 40 5 JKBBRN O=C(Nc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000139074444 569866995 /nfs/dbraw/zinc/86/69/95/569866995.db2.gz YPDYVWCGSRFDAD-ACKJMCFBSA-N 0 0 491.503 5.296 40 5 JKBBRN O=C(Nc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000139074661 569867012 /nfs/dbraw/zinc/86/70/12/569867012.db2.gz YPDYVWCGSRFDAD-WKEDTZOBSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)cc2)cc1 ZINC000139142926 569867259 /nfs/dbraw/zinc/86/72/59/569867259.db2.gz FQXPADSUPJDYGL-UHFFFAOYSA-N 0 0 467.481 6.200 40 5 JKBBRN CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000167232967 569868074 /nfs/dbraw/zinc/86/80/74/569868074.db2.gz RHSINRFDJUIKHE-UHFFFAOYSA-N 0 0 489.582 5.795 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205679404 569874068 /nfs/dbraw/zinc/87/40/68/569874068.db2.gz BTHQDQLRHYPORE-YBFXNURJSA-N 0 0 474.416 6.110 40 5 JKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000206442187 569874665 /nfs/dbraw/zinc/87/46/65/569874665.db2.gz DTJPUSWDMACPAG-LGUFXXKBSA-N 0 0 499.548 5.575 40 5 JKBBRN CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000210816793 569876106 /nfs/dbraw/zinc/87/61/06/569876106.db2.gz LGOCATIRLAFULE-PCLIKHOPSA-N 0 0 482.561 6.067 40 5 JKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000214056760 569876299 /nfs/dbraw/zinc/87/62/99/569876299.db2.gz PVRPEDDYJQIARS-CIAFOILYSA-N 0 0 477.454 5.532 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214160135 569876396 /nfs/dbraw/zinc/87/63/96/569876396.db2.gz WRSSWASQCOKYOD-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214151030 569876407 /nfs/dbraw/zinc/87/64/07/569876407.db2.gz QMPJZWXJDQTOFF-RGVLZGJSSA-N 0 0 470.890 5.753 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214247223 569876514 /nfs/dbraw/zinc/87/65/14/569876514.db2.gz IQWJCYDNBDWKOO-RGVLZGJSSA-N 0 0 454.435 5.239 40 5 JKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1F ZINC000214337436 569876545 /nfs/dbraw/zinc/87/65/45/569876545.db2.gz YGNOBGKNFLJEQP-SRZZPIQSSA-N 0 0 495.444 5.671 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 ZINC000214342781 569876557 /nfs/dbraw/zinc/87/65/57/569876557.db2.gz MVVROZMDFHQTOF-RGVLZGJSSA-N 0 0 454.435 5.239 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214370487 569876608 /nfs/dbraw/zinc/87/66/08/569876608.db2.gz HCGGWHUQQWUQIY-YDZHTSKRSA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1F ZINC000214356731 569876611 /nfs/dbraw/zinc/87/66/11/569876611.db2.gz IKUPCGXLHLOZPS-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000214398853 569876660 /nfs/dbraw/zinc/87/66/60/569876660.db2.gz ISTVCDJZGFZYSM-KEBDBYFISA-N 0 0 489.336 6.707 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214396467 569876669 /nfs/dbraw/zinc/87/66/69/569876669.db2.gz IEGIRZUSCYARRR-RGVLZGJSSA-N 0 0 488.352 5.988 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 ZINC000214637938 569876831 /nfs/dbraw/zinc/87/68/31/569876831.db2.gz MXQXJCWKINPWSN-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN O=C1S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214848239 569877036 /nfs/dbraw/zinc/87/70/36/569877036.db2.gz XRZOPYXHYMFNMA-RGVLZGJSSA-N 0 0 488.352 5.988 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214907300 569877073 /nfs/dbraw/zinc/87/70/73/569877073.db2.gz VGMKQWRYAKNHKE-XQNSMLJCSA-N 0 0 476.510 5.289 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215005660 569877102 /nfs/dbraw/zinc/87/71/02/569877102.db2.gz YZPTZVSRILOUKZ-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214991433 569877121 /nfs/dbraw/zinc/87/71/21/569877121.db2.gz SFUQVYSVXITWBI-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN COC(=O)c1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)ccc1Cl ZINC000214997756 569877148 /nfs/dbraw/zinc/87/71/48/569877148.db2.gz DLYOGKZCCSQXIH-RGVLZGJSSA-N 0 0 498.900 5.531 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215262274 569877275 /nfs/dbraw/zinc/87/72/75/569877275.db2.gz IVBSOCKUOOIEIH-XQNSMLJCSA-N 0 0 476.510 5.289 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000215255730 569877287 /nfs/dbraw/zinc/87/72/87/569877287.db2.gz GJMHEIBVWHARLF-SRZZPIQSSA-N 0 0 479.470 5.616 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215247360 569877291 /nfs/dbraw/zinc/87/72/91/569877291.db2.gz BHVSAXGJGJJSDN-LPYMAVHISA-N 0 0 491.481 5.319 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O ZINC000222238206 569883910 /nfs/dbraw/zinc/88/39/10/569883910.db2.gz PXKSZLNWUBATKZ-STPMEKMUSA-N 0 0 462.505 5.327 40 5 JKBBRN CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000222986204 569896194 /nfs/dbraw/zinc/89/61/94/569896194.db2.gz QBOHRUKXYBWKIS-VXKWHMMOSA-N 0 0 452.536 5.031 40 5 JKBBRN Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1)S(C)(=O)=O ZINC000222988234 569896291 /nfs/dbraw/zinc/89/62/91/569896291.db2.gz SDLSJBYQKQYGGO-UHFFFAOYSA-N 0 0 487.965 5.084 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223320937 569907435 /nfs/dbraw/zinc/90/74/35/569907435.db2.gz QXHJMBPTBVCNBY-CUNXSJBXSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223365075 569908918 /nfs/dbraw/zinc/90/89/18/569908918.db2.gz DWSZQXMDQHVEHF-PKTZIBPZSA-N 0 0 476.514 5.024 40 5 JKBBRN CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223377219 569909342 /nfs/dbraw/zinc/90/93/42/569909342.db2.gz UYWISHQMMANCGH-CUNXSJBXSA-N 0 0 487.600 5.001 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223399722 569909882 /nfs/dbraw/zinc/90/98/82/569909882.db2.gz DPPRCVQAURJIBP-DNQXCXABSA-N 0 0 456.527 5.423 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)c1 ZINC000223406572 569910156 /nfs/dbraw/zinc/91/01/56/569910156.db2.gz ITUGWKCLKDPDGG-DNQXCXABSA-N 0 0 456.527 5.423 40 5 JKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223543928 569915381 /nfs/dbraw/zinc/91/53/81/569915381.db2.gz MBVTVLOUHXSSEJ-LJQANCHMSA-N 0 0 480.392 5.166 40 5 JKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223818932 569924280 /nfs/dbraw/zinc/92/42/80/569924280.db2.gz LGTYZHHCCAZMAZ-HXUWFJFHSA-N 0 0 480.392 5.168 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223830112 569924552 /nfs/dbraw/zinc/92/45/52/569924552.db2.gz HGPALJHWEJRCRU-RPBOFIJWSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223833180 569924698 /nfs/dbraw/zinc/92/46/98/569924698.db2.gz ZNXIFLSHPMDYAI-JWQCQUIFSA-N 0 0 486.553 5.826 40 5 JKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223858188 569925336 /nfs/dbraw/zinc/92/53/36/569925336.db2.gz PJJSSIAGBRAQDK-HXUWFJFHSA-N 0 0 480.392 5.168 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223873076 569925818 /nfs/dbraw/zinc/92/58/18/569925818.db2.gz IMPISVXFLQKTPB-XZOQPEGZSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223873123 569925832 /nfs/dbraw/zinc/92/58/32/569925832.db2.gz IMPISVXFLQKTPB-GOTSBHOMSA-N 0 0 458.499 5.133 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)o1 ZINC000223877152 569925947 /nfs/dbraw/zinc/92/59/47/569925947.db2.gz HNQVGNOZMFMGIX-BJKOFHAPSA-N 0 0 488.525 5.141 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881127 569926074 /nfs/dbraw/zinc/92/60/74/569926074.db2.gz XLPRHRMBLZTBNF-PKTZIBPZSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 ZINC000224036868 569931450 /nfs/dbraw/zinc/93/14/50/569931450.db2.gz LWVMJCQZYHKVGR-DNQXCXABSA-N 0 0 486.509 5.156 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224157197 569934834 /nfs/dbraw/zinc/93/48/34/569934834.db2.gz WWKZDRWQWAXICI-DEOSSOPVSA-N 0 0 483.634 5.003 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224185045 569935652 /nfs/dbraw/zinc/93/56/52/569935652.db2.gz PENFXJBLQVLKAB-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224215606 569936848 /nfs/dbraw/zinc/93/68/48/569936848.db2.gz ZVFUAJNQHHVJDY-DNQXCXABSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224221899 569937046 /nfs/dbraw/zinc/93/70/46/569937046.db2.gz NQVXXWBENKKDME-BJKOFHAPSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224221808 569937061 /nfs/dbraw/zinc/93/70/61/569937061.db2.gz NQVXXWBENKKDME-ZEQRLZLVSA-N 0 0 456.527 5.735 40 5 JKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224223492 569937090 /nfs/dbraw/zinc/93/70/90/569937090.db2.gz ABWDJDBZAWNNMJ-UHFFFAOYSA-N 0 0 468.509 6.410 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224315673 569940261 /nfs/dbraw/zinc/94/02/61/569940261.db2.gz RIZJRJGEFBRCBE-RPBOFIJWSA-N 0 0 470.554 6.044 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224378035 569942501 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/nfs/dbraw/zinc/95/64/04/569956404.db2.gz OGRJKHNOMWPBGY-PKTZIBPZSA-N 0 0 474.567 5.911 40 5 JKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224777153 569957121 /nfs/dbraw/zinc/95/71/21/569957121.db2.gz APUJHNRXTCVTPC-FQEVSTJZSA-N 0 0 480.392 5.024 40 5 JKBBRN Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224790219 569957716 /nfs/dbraw/zinc/95/77/16/569957716.db2.gz PNZXEEQEETUBCA-RPWUZVMVSA-N 0 0 487.610 5.657 40 5 JKBBRN Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)[nH]1 ZINC000224791023 569957772 /nfs/dbraw/zinc/95/77/72/569957772.db2.gz KQLXEOUBZBHWKL-RPWUZVMVSA-N 0 0 487.610 5.955 40 5 JKBBRN Cc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)cc1 ZINC000224845690 569960094 /nfs/dbraw/zinc/96/00/94/569960094.db2.gz HXRWEJWAOSVBGK-NDEPHWFRSA-N 0 0 499.611 5.145 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)cc1 ZINC000224879326 569961512 /nfs/dbraw/zinc/96/15/12/569961512.db2.gz RCKBMUYYZRGYHO-GOTSBHOMSA-N 0 0 491.960 5.317 40 5 JKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224881495 569961677 /nfs/dbraw/zinc/96/16/77/569961677.db2.gz WCYYSNPJBNAXBD-OAHLLOKOSA-N 0 0 498.432 5.078 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 ZINC000224887465 569961912 /nfs/dbraw/zinc/96/19/12/569961912.db2.gz BALQOEMNPSHEND-GOTSBHOMSA-N 0 0 492.944 5.786 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)ccc1F ZINC000224908578 569962883 /nfs/dbraw/zinc/96/28/83/569962883.db2.gz HECPNSCMXQBRMT-DNQXCXABSA-N 0 0 473.533 5.405 40 5 JKBBRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224914303 569963199 /nfs/dbraw/zinc/96/31/99/569963199.db2.gz XEKKVNCJPTZESM-OAHLLOKOSA-N 0 0 498.432 5.078 40 5 JKBBRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c(OC)c1 ZINC000224937792 569964118 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O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc21 ZINC000409181682 570159557 /nfs/dbraw/zinc/15/95/57/570159557.db2.gz FZFTVZTVWPPLRP-UHFFFAOYSA-N 0 0 466.537 7.215 40 5 JKBBRN CCC(=O)Nc1cc(OC)c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000409181953 570159658 /nfs/dbraw/zinc/15/96/58/570159658.db2.gz HCHBFFYVBKBOIT-DEOSSOPVSA-N 0 0 496.903 5.386 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1N1C(=O)c2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2C1=O ZINC000409182038 570159674 /nfs/dbraw/zinc/15/96/74/570159674.db2.gz HTENPPZXCJVFGK-UHFFFAOYSA-N 0 0 492.487 5.650 40 5 JKBBRN Cc1ccccc1NCc1ccc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409182358 570159885 /nfs/dbraw/zinc/15/98/85/570159885.db2.gz KGINVBJAHMERME-UHFFFAOYSA-N 0 0 468.509 6.665 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000409182849 570159958 /nfs/dbraw/zinc/15/99/58/570159958.db2.gz OPEODPKYMNTUDW-VWLOTQADSA-N 0 0 480.904 5.443 40 5 JKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1Cl ZINC000409182827 570159962 /nfs/dbraw/zinc/15/99/62/570159962.db2.gz OXPZSVDJSRWJQT-WUXMJOGZSA-N 0 0 471.922 5.009 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O ZINC000409182650 570159977 /nfs/dbraw/zinc/15/99/77/570159977.db2.gz MNABJHSTABFBJB-UHFFFAOYSA-N 0 0 478.460 5.342 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000409182807 570159995 /nfs/dbraw/zinc/15/99/95/570159995.db2.gz ODMDTEBRSQJBQL-MHZLTWQESA-N 0 0 494.528 6.653 40 5 JKBBRN COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409182609 570160007 /nfs/dbraw/zinc/16/00/07/570160007.db2.gz NDPNIOLLWMXZJK-HHHXNRCGSA-N 0 0 490.512 5.106 40 5 JKBBRN COc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409183021 570160027 /nfs/dbraw/zinc/16/00/27/570160027.db2.gz RKAUBEXKQCQNHQ-UHFFFAOYSA-N 0 0 477.742 6.210 40 5 JKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O ZINC000409182978 570160075 /nfs/dbraw/zinc/16/00/75/570160075.db2.gz QBJBTBFCEUEYGD-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409183121 570160164 /nfs/dbraw/zinc/16/01/64/570160164.db2.gz QCEFAHOFXCAQIS-SANMLTNESA-N 0 0 460.486 5.043 40 5 JKBBRN COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409183836 570160325 /nfs/dbraw/zinc/16/03/25/570160325.db2.gz VKJDVNMZHFQTBS-UHFFFAOYSA-N 0 0 498.875 5.047 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 ZINC000409184714 570160481 /nfs/dbraw/zinc/16/04/81/570160481.db2.gz ZVONYHKHJCKQNI-UHFFFAOYSA-N 0 0 478.460 5.342 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409188818 570161223 /nfs/dbraw/zinc/16/12/23/570161223.db2.gz ATJULKCWAWYQJP-LPYMAVHISA-N 0 0 496.928 6.077 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409190207 570161720 /nfs/dbraw/zinc/16/17/20/570161720.db2.gz PUWLUTLGNNOOSP-YBFXNURJSA-N 0 0 483.889 5.685 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000409193428 570162719 /nfs/dbraw/zinc/16/27/19/570162719.db2.gz KNRLCGLMIHPJOH-VXAIQDGOSA-N 0 0 498.491 5.265 40 5 JKBBRN O=C(Nc1cccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409196689 570163733 /nfs/dbraw/zinc/16/37/33/570163733.db2.gz YCUPPALWZVXSRC-UHFFFAOYSA-N 0 0 476.228 5.281 40 5 JKBBRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409197047 570163842 /nfs/dbraw/zinc/16/38/42/570163842.db2.gz UTONPAPQNZPYSA-RWEWTDSWSA-N 0 0 484.364 6.377 40 5 JKBBRN Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000409197246 570163908 /nfs/dbraw/zinc/16/39/08/570163908.db2.gz ZRDCESBDWRXWFH-FLWNBWAVSA-N 0 0 491.572 6.737 40 5 JKBBRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000409198673 570164342 /nfs/dbraw/zinc/16/43/42/570164342.db2.gz CTCMOWUJTWBHAM-RWEWTDSWSA-N 0 0 484.364 6.377 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409199022 570164431 /nfs/dbraw/zinc/16/44/31/570164431.db2.gz AQYDREBTGSACFD-RGVLZGJSSA-N 0 0 497.916 6.075 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)o1 ZINC000409199979 570164889 /nfs/dbraw/zinc/16/48/89/570164889.db2.gz GEEHLSCKJWRZHY-KGENOOAVSA-N 0 0 450.472 5.142 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200538 570165089 /nfs/dbraw/zinc/16/50/89/570165089.db2.gz IASTZPBVOPKZCQ-LFVJCYFKSA-N 0 0 490.537 5.461 40 5 JKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409200774 570165179 /nfs/dbraw/zinc/16/51/79/570165179.db2.gz JICVGZMUTCVABQ-KEBDBYFISA-N 0 0 497.872 6.190 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1C ZINC000409201120 570165390 /nfs/dbraw/zinc/16/53/90/570165390.db2.gz LVPGKIJRRXYUHG-IDUWFGFVSA-N 0 0 480.329 5.193 40 5 JKBBRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409204106 570166740 /nfs/dbraw/zinc/16/67/40/570166740.db2.gz BGJHBDQXDZHTFV-UHFFFAOYSA-N 0 0 481.763 7.145 40 5 JKBBRN Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(C)c1-c1ccc(Br)cc1 ZINC000409206466 570167343 /nfs/dbraw/zinc/16/73/43/570167343.db2.gz ORFNHOXNLBIWEI-UZYVYHOESA-N 0 0 466.744 5.127 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409209123 570168634 /nfs/dbraw/zinc/16/86/34/570168634.db2.gz HFSVYIKGANJEDV-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409211390 570169933 /nfs/dbraw/zinc/16/99/33/570169933.db2.gz LRERIZBLQQNZFO-CIAFOILYSA-N 0 0 466.902 6.068 40 5 JKBBRN O=C1S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409212190 570170384 /nfs/dbraw/zinc/17/03/84/570170384.db2.gz NUJXXTYAHKMUFQ-VCHYOVAHSA-N 0 0 453.863 5.676 40 5 JKBBRN Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1N=C(c2ccccc2)[C@@H]2[C@H](c3ccc([N+](=O)[O-])cc3)N21 ZINC000261829852 570170549 /nfs/dbraw/zinc/17/05/49/570170549.db2.gz UZEAWJJXHFUBFP-AHSYCRJWSA-N 0 0 469.932 5.669 40 5 JKBBRN COCCN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409214685 570171779 /nfs/dbraw/zinc/17/17/79/570171779.db2.gz ZVJPGQGZCGEYMA-LICLKQGHSA-N 0 0 468.409 5.089 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1CCc1ccccc1 ZINC000409217281 570173093 /nfs/dbraw/zinc/17/30/93/570173093.db2.gz OPFXRTWZSQPFOD-XQNSMLJCSA-N 0 0 460.511 5.453 40 5 JKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409217374 570173140 /nfs/dbraw/zinc/17/31/40/570173140.db2.gz PPZVKYZFGHOEJU-LPYMAVHISA-N 0 0 491.525 5.401 40 5 JKBBRN Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)cc1 ZINC000409221399 570174629 /nfs/dbraw/zinc/17/46/29/570174629.db2.gz PUERDHXKMQWJRC-ODLFYWEKSA-N 0 0 482.290 5.019 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)c1ccccc1 ZINC000409225923 570175921 /nfs/dbraw/zinc/17/59/21/570175921.db2.gz SXVOIZFANWEWRO-QFEZKATASA-N 0 0 497.532 5.517 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)c1ccccc1 ZINC000409226720 570176072 /nfs/dbraw/zinc/17/60/72/570176072.db2.gz RVRXVNVMFCTRIL-RGVLZGJSSA-N 0 0 468.874 5.427 40 5 JKBBRN Cc1cc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409227456 570176319 /nfs/dbraw/zinc/17/63/19/570176319.db2.gz YVDDQJUYPWDOIS-WSDLNYQXSA-N 0 0 462.483 5.391 40 5 JKBBRN O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1Cl ZINC000409229431 570177110 /nfs/dbraw/zinc/17/71/10/570177110.db2.gz OYOMZQCBGXCOSN-ODLFYWEKSA-N 0 0 483.889 5.183 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000409235312 570179427 /nfs/dbraw/zinc/17/94/27/570179427.db2.gz ORRQCCGNDFXGIN-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN O=C1NC(=Cc2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 ZINC000409235954 570179743 /nfs/dbraw/zinc/17/97/43/570179743.db2.gz DLVIFUBTYXKKRV-LPYMAVHISA-N 0 0 472.888 5.349 40 5 JKBBRN O=[N+]([O-])c1ccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)cc1 ZINC000328968897 570179846 /nfs/dbraw/zinc/17/98/46/570179846.db2.gz DBDNYBHCGNCFPP-UHFFFAOYSA-N 0 0 487.482 5.151 40 5 JKBBRN CC(C)(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329002833 570181113 /nfs/dbraw/zinc/18/11/13/570181113.db2.gz KJTNRJYRVPBUKP-UHFFFAOYSA-N 0 0 461.444 5.773 40 5 JKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)C2=O)c1 ZINC000409239145 570181168 /nfs/dbraw/zinc/18/11/68/570181168.db2.gz CDZXSRUUXGXGQA-WGOQTCKBSA-N 0 0 493.519 5.728 40 5 JKBBRN O=C1NC(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409243260 570182854 /nfs/dbraw/zinc/18/28/54/570182854.db2.gz RHNLCBLBEYVLIN-WOJGMQOQSA-N 0 0 480.820 5.046 40 5 JKBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NC2CCCC2)n1 ZINC000329065418 570183544 /nfs/dbraw/zinc/18/35/44/570183544.db2.gz XRHFESPINMFCBJ-UHFFFAOYSA-N 0 0 493.873 5.546 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409245447 570183974 /nfs/dbraw/zinc/18/39/74/570183974.db2.gz SZHOUVUPQCSZSW-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)cc2)cc1 ZINC000409245877 570184107 /nfs/dbraw/zinc/18/41/07/570184107.db2.gz AGXKQDBEFMGDKM-HMAPJEAMSA-N 0 0 462.552 6.291 40 5 JKBBRN CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409246210 570184284 /nfs/dbraw/zinc/18/42/84/570184284.db2.gz GKSVVIHHGYNWQN-XDHOZWIPSA-N 0 0 476.938 5.672 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)cc2)cc1 ZINC000408527909 570186592 /nfs/dbraw/zinc/18/65/92/570186592.db2.gz FXYPAZQWKSJQIT-HMAPJEAMSA-N 0 0 462.552 6.291 40 5 JKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(-c2nc3ccccc3s2)cc1Br ZINC000409259128 570187235 /nfs/dbraw/zinc/18/72/35/570187235.db2.gz WTEAXPWLQARIMB-UHFFFAOYSA-N 0 0 495.276 7.445 40 5 JKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000409258496 570187265 /nfs/dbraw/zinc/18/72/65/570187265.db2.gz UHTMMOVQZMTZIP-UHFFFAOYSA-N 0 0 495.276 7.445 40 5 JKBBRN COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1OCc1ccccc1[N+](=O)[O-] ZINC000409262680 570187770 /nfs/dbraw/zinc/18/77/70/570187770.db2.gz GKQGLHIGOYJXRY-UHFFFAOYSA-N 0 0 463.515 5.439 40 5 JKBBRN CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1F ZINC000408545266 570192816 /nfs/dbraw/zinc/19/28/16/570192816.db2.gz XDSKOHIJTIZBGO-CMDGGOBGSA-N 0 0 477.286 5.941 40 5 JKBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(C)cc1 ZINC000408552586 570195564 /nfs/dbraw/zinc/19/55/64/570195564.db2.gz KAVATLXAHVKXSU-UHFFFAOYSA-N 0 0 471.307 5.506 40 5 JKBBRN COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408553825 570195957 /nfs/dbraw/zinc/19/59/57/570195957.db2.gz PTCUAUPRADCGFG-UHFFFAOYSA-N 0 0 469.877 5.184 40 5 JKBBRN CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408555402 570196873 /nfs/dbraw/zinc/19/68/73/570196873.db2.gz XGZRABOJWLNYNP-UHFFFAOYSA-N 0 0 483.904 5.574 40 5 JKBBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2CNc2cccc([N+](=O)[O-])c2)c1 ZINC000408556489 570197366 /nfs/dbraw/zinc/19/73/66/570197366.db2.gz IZCZCXLDAFOQJA-UHFFFAOYSA-N 0 0 470.323 5.295 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc2ccccc21 ZINC000408557387 570198216 /nfs/dbraw/zinc/19/82/16/570198216.db2.gz NCFUXPAIMIJZEZ-UHFFFAOYSA-N 0 0 493.357 6.710 40 5 JKBBRN COc1cc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000408557949 570198658 /nfs/dbraw/zinc/19/86/58/570198658.db2.gz QXDYUDVQVYISJA-UHFFFAOYSA-N 0 0 478.452 5.118 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(I)c1OCc1ccccc1 ZINC000408558149 570198739 /nfs/dbraw/zinc/19/87/39/570198739.db2.gz RWUKNYFYZHCKNY-UHFFFAOYSA-N 0 0 490.297 5.399 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(F)cc1 ZINC000408558030 570198763 /nfs/dbraw/zinc/19/87/63/570198763.db2.gz RPJABZMGZYBQMI-UHFFFAOYSA-N 0 0 461.287 5.696 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408558428 570198913 /nfs/dbraw/zinc/19/89/13/570198913.db2.gz UOWAYWDCMCTAJN-UHFFFAOYSA-N 0 0 488.294 5.465 40 5 JKBBRN O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000408558961 570199463 /nfs/dbraw/zinc/19/94/63/570199463.db2.gz WVSFQUOGCUKINR-JOCHJYFZSA-N 0 0 475.353 6.259 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408558981 570199468 /nfs/dbraw/zinc/19/94/68/570199468.db2.gz TXZORFGRKYPGEL-UHFFFAOYSA-N 0 0 463.368 5.935 40 5 JKBBRN Cc1c(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409315766 570200066 /nfs/dbraw/zinc/20/00/66/570200066.db2.gz WEMPBVGEOKAERU-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)c1 ZINC000408559900 570200094 /nfs/dbraw/zinc/20/00/94/570200094.db2.gz WZLIKZYBFGBSPC-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000409320433 570201117 /nfs/dbraw/zinc/20/11/17/570201117.db2.gz AWONMXURACKJRB-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408562120 570201486 /nfs/dbraw/zinc/20/14/86/570201486.db2.gz MUYVAZLQGYYOFT-QOCHGBHMSA-N 0 0 480.771 5.610 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408564126 570202528 /nfs/dbraw/zinc/20/25/28/570202528.db2.gz YAQYTAKCNRFGOW-FLFQWRMESA-N 0 0 480.373 5.764 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408564472 570202618 /nfs/dbraw/zinc/20/26/18/570202618.db2.gz DDMNBCGEEMQPKF-DPQOWFAMSA-N 0 0 498.366 5.094 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21 ZINC000408564963 570202935 /nfs/dbraw/zinc/20/29/35/570202935.db2.gz ATUBQHXHOAWWDA-AREMUKBSSA-N 0 0 466.537 6.707 40 5 JKBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)cc1 ZINC000408565102 570203054 /nfs/dbraw/zinc/20/30/54/570203054.db2.gz BEMBSPODMSAFGU-IBGZPJMESA-N 0 0 477.384 5.155 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccccc3Cl)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408565100 570203070 /nfs/dbraw/zinc/20/30/70/570203070.db2.gz HRAWXSGSMMPZFZ-WSNNEZGNSA-N 0 0 498.366 5.094 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F ZINC000408565138 570203099 /nfs/dbraw/zinc/20/30/99/570203099.db2.gz BHMSTYBRXZAFJI-HXUWFJFHSA-N 0 0 468.912 6.347 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(Cl)cc1 ZINC000408565345 570203186 /nfs/dbraw/zinc/20/31/86/570203186.db2.gz BTGDTYBUHIEWQO-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565284 570203202 /nfs/dbraw/zinc/20/32/02/570203202.db2.gz BNSVQGDNIOCDTG-OAQYLSRUSA-N 0 0 468.912 6.347 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccc(F)cc1 ZINC000408565903 570203523 /nfs/dbraw/zinc/20/35/23/570203523.db2.gz DDYZQGLAODNBEI-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc2ccccc21 ZINC000408566344 570203762 /nfs/dbraw/zinc/20/37/62/570203762.db2.gz FKJWUTPLPADNRQ-RUZDIDTESA-N 0 0 452.510 6.317 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408566316 570203777 /nfs/dbraw/zinc/20/37/77/570203777.db2.gz FHOZQWZXIYTZKU-FQEVSTJZSA-N 0 0 454.885 5.957 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(C)c(C)c1 ZINC000408567212 570203987 /nfs/dbraw/zinc/20/39/87/570203987.db2.gz GTWDPQMEMKTLMW-RUZDIDTESA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000408567120 570204009 /nfs/dbraw/zinc/20/40/09/570204009.db2.gz GNFXECWWQUXOLA-QHCPKHFHSA-N 0 0 482.512 5.543 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccc(F)cc1 ZINC000408567192 570204018 /nfs/dbraw/zinc/20/40/18/570204018.db2.gz GRJTYIMDIPMIHS-FQEVSTJZSA-N 0 0 499.336 6.066 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(F)cc1 ZINC000408567118 570204038 /nfs/dbraw/zinc/20/40/38/570204038.db2.gz GNFXECWWQUXOLA-HSZRJFAPSA-N 0 0 482.512 5.543 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)cc1 ZINC000408567602 570204151 /nfs/dbraw/zinc/20/41/51/570204151.db2.gz GYBGJKBVLCMBEU-RUZDIDTESA-N 0 0 490.585 5.664 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408569062 570204283 /nfs/dbraw/zinc/20/42/83/570204283.db2.gz INLVGNWVZWQRRP-OAQYLSRUSA-N 0 0 496.317 5.826 40 5 JKBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000409331191 570204298 /nfs/dbraw/zinc/20/42/98/570204298.db2.gz CVNGUWQZSWHNPD-LJQANCHMSA-N 0 0 470.536 5.901 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569359 570204355 /nfs/dbraw/zinc/20/43/55/570204355.db2.gz VVVAEURPYQOLKK-MQVPCNEGSA-N 0 0 498.366 5.094 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408569569 570204365 /nfs/dbraw/zinc/20/43/65/570204365.db2.gz JOESDHGHKLICJT-QHCPKHFHSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(C)cc1 ZINC000408569145 570204373 /nfs/dbraw/zinc/20/43/73/570204373.db2.gz IZAVGAGAOMJLCI-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408569565 570204409 /nfs/dbraw/zinc/20/44/09/570204409.db2.gz JNVPXKFDLBSOPO-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1cccc(C)c1 ZINC000408570992 570204609 /nfs/dbraw/zinc/20/46/09/570204609.db2.gz MPRMYFOLLMLBPM-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408570892 570204611 /nfs/dbraw/zinc/20/46/11/570204611.db2.gz MFBAXBVGPGHQMX-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408570916 570204639 /nfs/dbraw/zinc/20/46/39/570204639.db2.gz MHTOKVVCFAWQMR-RUZDIDTESA-N 0 0 490.585 5.664 40 5 JKBBRN CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc1OCC ZINC000408570659 570204643 /nfs/dbraw/zinc/20/46/43/570204643.db2.gz LUJCNRDEYKYFRM-JOCHJYFZSA-N 0 0 456.568 5.100 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1F ZINC000408571165 570204685 /nfs/dbraw/zinc/20/46/85/570204685.db2.gz NYUNAUQNGKBSPK-IBGZPJMESA-N 0 0 499.336 6.066 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(F)cc1 ZINC000408571296 570204688 /nfs/dbraw/zinc/20/46/88/570204688.db2.gz OHFILAUUPJFIBZ-QHCPKHFHSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(F)cc1 ZINC000408571295 570204699 /nfs/dbraw/zinc/20/46/99/570204699.db2.gz OHFILAUUPJFIBZ-HSZRJFAPSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000408572007 570204842 /nfs/dbraw/zinc/20/48/42/570204842.db2.gz QJHHGPAXBCFIKI-DEOSSOPVSA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)c(Cl)c2)n1-c1ccccc1 ZINC000408572312 570204878 /nfs/dbraw/zinc/20/48/78/570204878.db2.gz QVTGJPQRAUSOSZ-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(F)cc1 ZINC000408572159 570204918 /nfs/dbraw/zinc/20/49/18/570204918.db2.gz QRWMJYUWOIGOKS-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1ccc(COc2c(Cl)cc([C@H](C[N+](=O)[O-])c3c[nH]c4ccccc43)cc2Cl)cc1 ZINC000408572427 570204947 /nfs/dbraw/zinc/20/49/47/570204947.db2.gz RDSZWQBJPRPOBF-FQEVSTJZSA-N 0 0 455.341 6.771 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)cc1 ZINC000408572666 570205002 /nfs/dbraw/zinc/20/50/02/570205002.db2.gz RRCRVTNACLVSJQ-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000408572984 570205061 /nfs/dbraw/zinc/20/50/61/570205061.db2.gz RZZJTMCGZCGAGC-HXUWFJFHSA-N 0 0 454.885 5.957 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(F)cc1 ZINC000408573060 570205121 /nfs/dbraw/zinc/20/51/21/570205121.db2.gz SHKJJUBTLWHSKR-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1ccccc1 ZINC000408573162 570205124 /nfs/dbraw/zinc/20/51/24/570205124.db2.gz SQWDRZXPPHDQGP-QHCPKHFHSA-N 0 0 480.977 5.918 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccccc1 ZINC000408573104 570205125 /nfs/dbraw/zinc/20/51/25/570205125.db2.gz SLVJZYGJSOTUND-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Cl ZINC000408573463 570205182 /nfs/dbraw/zinc/20/51/82/570205182.db2.gz SYDLNWKVXKDNED-KRWDZBQOSA-N 0 0 453.351 5.391 40 5 JKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1Cl ZINC000408573355 570205199 /nfs/dbraw/zinc/20/51/99/570205199.db2.gz CHRLIVJMMXUWEE-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN COc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000408573691 570205240 /nfs/dbraw/zinc/20/52/40/570205240.db2.gz UDDATKIBTZPWNG-LJQANCHMSA-N 0 0 477.384 5.074 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)c(C)c1 ZINC000408574045 570205343 /nfs/dbraw/zinc/20/53/43/570205343.db2.gz UMGRSMMMXWRDHM-RUZDIDTESA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)ccc1[N+](=O)[O-] ZINC000408574019 570205365 /nfs/dbraw/zinc/20/53/65/570205365.db2.gz HEIBGTVHDPZINV-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1Cl ZINC000408574039 570205369 /nfs/dbraw/zinc/20/53/69/570205369.db2.gz HOUQBUAQMBQHCV-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1F ZINC000408574457 570205398 /nfs/dbraw/zinc/20/53/98/570205398.db2.gz UVPRAESGHMACRP-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)cc1 ZINC000408574538 570205463 /nfs/dbraw/zinc/20/54/63/570205463.db2.gz VDJFSYLJIJFYPB-XMMPIXPASA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(F)cc1 ZINC000408575075 570205593 /nfs/dbraw/zinc/20/55/93/570205593.db2.gz VYJPYSGNSMJMBW-QHCPKHFHSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(Cl)cc1 ZINC000408577085 570206091 /nfs/dbraw/zinc/20/60/91/570206091.db2.gz YNWTZDREMVVKEY-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN O=C(CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)n1)c1cccc([N+](=O)[O-])c1 ZINC000408582024 570206915 /nfs/dbraw/zinc/20/69/15/570206915.db2.gz LDQZTGHRYBHSMV-UHFFFAOYSA-N 0 0 498.280 5.808 40 5 JKBBRN O=c1oc2ccccc2cc1C1=Nc2ccccc2S[C@H](c2c3ccccc3cc3ccccc32)C1 ZINC000012360323 291603873 /nfs/dbraw/zinc/60/38/73/291603873.db2.gz PHTMIOQKPAPPOD-PMERELPUSA-N 0 0 483.592 8.457 40 5 JKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3c4ccccc4cc4ccccc43)C2=O)c1 ZINC000000980495 193996366 /nfs/dbraw/zinc/99/63/66/193996366.db2.gz PNCTYNGMMPRYSW-IWIPYMOSSA-N 0 0 452.535 5.976 40 5 JKBBRN Brc1ccc2[nH]c3nc4c(Br)cc(Br)cc4nc3c2c1 ZINC000001092801 194022372 /nfs/dbraw/zinc/02/23/72/194022372.db2.gz KVLKAAUDJHOMKB-UHFFFAOYSA-N 0 0 455.935 5.552 40 5 JKBBRN Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NCc1cccs1 ZINC000001327838 194088270 /nfs/dbraw/zinc/08/82/70/194088270.db2.gz MDWHTIYZHCGFHW-UHFFFAOYSA-N 0 0 450.614 5.480 40 5 JKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)N1c2ccccc2C[C@H]1C ZINC000001327844 194088194 /nfs/dbraw/zinc/08/81/94/194088194.db2.gz NVZHWGBIRDLBNI-OAHLLOKOSA-N 0 0 456.596 5.771 40 5 JKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)NCc4cccs4)c3cc2c1 ZINC000001327837 194088230 /nfs/dbraw/zinc/08/82/30/194088230.db2.gz CDDSLVWVUPFPKW-UHFFFAOYSA-N 0 0 450.614 5.480 40 5 JKBBRN CCOC(=O)c1cnc2c3[nH]c4ccc(Br)cc4c3cc(Br)c2c1Cl ZINC000001567228 194128013 /nfs/dbraw/zinc/12/80/13/194128013.db2.gz AXAIRFHZCRKHEI-UHFFFAOYSA-N 0 0 482.559 6.224 40 5 JKBBRN COC(=O)c1c(-c2ccccc2)cc2c3cc(-c4ccccc4)c(C(=O)OC)n3c3ccccc3n21 ZINC000001628621 194129754 /nfs/dbraw/zinc/12/97/54/194129754.db2.gz BFFOXZBJILCARI-UHFFFAOYSA-N 0 0 474.516 6.252 40 5 JKBBRN Clc1nc2cc(Br)c(Br)cc2c2ccc(Br)cc12 ZINC000001722493 194132213 /nfs/dbraw/zinc/13/22/13/194132213.db2.gz RAYVUAJIWMUQRQ-UHFFFAOYSA-N 0 0 450.355 6.329 40 5 JKBBRN CCCn1c2nnc(SCc3cc(=O)oc4ccc5ccccc5c34)n2c2ccccc2c1=O ZINC000003375475 194307284 /nfs/dbraw/zinc/30/72/84/194307284.db2.gz LHOHNDVZIVBQOU-UHFFFAOYSA-N 0 0 468.538 5.006 40 5 JKBBRN O=C(Oc1c2ccc([N+](=O)[O-])cc2n(C(=O)c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000003844602 194364036 /nfs/dbraw/zinc/36/40/36/194364036.db2.gz KEAWUUOYHLSPTF-UHFFFAOYSA-N 0 0 462.461 6.124 40 5 JKBBRN Clc1c(Cl)c(Cl)c2c(c1Cl)OC[C@H](c1ccc3cc4ccccc4cc3c1)O2 ZINC000003844426 194364079 /nfs/dbraw/zinc/36/40/79/194364079.db2.gz DGUGRHYLLRMJBK-MRXNPFEDSA-N 0 0 450.148 8.119 40 5 JKBBRN CCCc1cc2nc1ccc1[nH]c(cc1CCC)c1cc(CCC)c(ccc3[nH]c2cc3CCC)n1 ZINC000003847137 194364323 /nfs/dbraw/zinc/36/43/23/194364323.db2.gz QMBOWCIYCNOEAU-UHFFFAOYSA-N 0 0 478.684 8.680 40 5 JKBBRN CCCc1c(CCC)c2ccc([nH]2)c2ccc(n2)c(CCC)c(CCC)c2ccc([nH]2)c2ccc1n2 ZINC000003847138 194364339 /nfs/dbraw/zinc/36/43/39/194364339.db2.gz MAVXPCQZWFTYRZ-UHFFFAOYSA-N 0 0 478.684 8.680 40 5 JKBBRN Cn1c(=O)c2ccc3c4ccc5c6nc7ccccc7n6c(=O)c6ccc(c7ccc(c2c37)c1=O)c4c56 ZINC000005706912 194407039 /nfs/dbraw/zinc/40/70/39/194407039.db2.gz CHAPEJMGBAWRFE-UHFFFAOYSA-N 0 0 477.479 5.139 40 5 JKBBRN CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610281 195183292 /nfs/dbraw/zinc/18/32/92/195183292.db2.gz BFTOROQZNFBAAZ-DTQAZKPQSA-N 0 0 495.495 5.639 40 5 JKBBRN CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610147 195183361 /nfs/dbraw/zinc/18/33/61/195183361.db2.gz YKAJSJRFMGHCCC-UHFFFAOYSA-N 0 0 470.533 5.134 40 5 JKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610589 195183529 /nfs/dbraw/zinc/18/35/29/195183529.db2.gz HEQHMHKTGDBKMT-UHFFFAOYSA-N 0 0 470.533 5.305 40 5 JKBBRN CCc1nc(SCc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)n[nH]1 ZINC000020611430 195185208 /nfs/dbraw/zinc/18/52/08/195185208.db2.gz IWEKMPQAJWVACK-UHFFFAOYSA-N 0 0 473.967 5.688 40 5 JKBBRN CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 ZINC000020671790 195198685 /nfs/dbraw/zinc/19/86/85/195198685.db2.gz ZZFMMAODYBQIDL-LJQANCHMSA-N 0 0 473.558 5.361 40 5 JKBBRN O=C(c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000020759059 195216867 /nfs/dbraw/zinc/21/68/67/195216867.db2.gz ISKOQFXSECZSKS-DHZHZOJOSA-N 0 0 498.586 5.063 40 5 biogenic JKBBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020797360 195226037 /nfs/dbraw/zinc/22/60/37/195226037.db2.gz FYGZNPJSOKWVKZ-QHCPKHFHSA-N 0 0 473.920 5.834 40 5 JKBBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000020797357 195226099 /nfs/dbraw/zinc/22/60/99/195226099.db2.gz FYGZNPJSOKWVKZ-HSZRJFAPSA-N 0 0 473.920 5.834 40 5 JKBBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)n2c(nc3ccccc32)N1 ZINC000020969966 195257401 /nfs/dbraw/zinc/25/74/01/195257401.db2.gz AGSDRFYPEDUQOA-JOCHJYFZSA-N 0 0 477.883 5.665 40 5 JKBBRN CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020970179 195257591 /nfs/dbraw/zinc/25/75/91/195257591.db2.gz KMWDXCOAKYKNGV-XMMPIXPASA-N 0 0 453.502 5.435 40 5 JKBBRN CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020970353 195257674 /nfs/dbraw/zinc/25/76/74/195257674.db2.gz JHLRPPKJNRYALT-DEOSSOPVSA-N 0 0 469.501 5.271 40 5 JKBBRN CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 ZINC000021005498 195265762 /nfs/dbraw/zinc/26/57/62/195265762.db2.gz PXKKIHMUKRXSNO-JOCHJYFZSA-N 0 0 459.893 5.526 40 5 JKBBRN CCOC(=O)C1C(c2ccccc2)=Nc2nc3ccccc3n2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000021005578 195265769 /nfs/dbraw/zinc/26/57/69/195265769.db2.gz GSVWDSLHHGLUCD-HSZRJFAPSA-N 0 0 474.904 5.587 40 5 JKBBRN Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-] ZINC000021305751 195293722 /nfs/dbraw/zinc/29/37/22/195293722.db2.gz ULEHLPRDUUNWBD-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)c3)oc2cc1C ZINC000021578702 195316436 /nfs/dbraw/zinc/31/64/36/195316436.db2.gz YAJGUDGRWIERMM-UHFFFAOYSA-N 0 0 486.528 5.417 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5cc(C)c(C)cc5o4)ccc3C)o2)c([N+](=O)[O-])c1 ZINC000021578780 195316681 /nfs/dbraw/zinc/31/66/81/195316681.db2.gz XRXHLZNDIIAPIG-UHFFFAOYSA-N 0 0 497.507 6.849 40 5 JKBBRN COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)c1 ZINC000021579339 195316818 /nfs/dbraw/zinc/31/68/18/195316818.db2.gz RDKXOEDMGMQBIS-UHFFFAOYSA-N 0 0 455.426 5.924 40 5 JKBBRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000021595551 195317801 /nfs/dbraw/zinc/31/78/01/195317801.db2.gz ZFXYGLSVXAKMFI-DHZHZOJOSA-N 0 0 465.937 6.396 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)cc2[N+](=O)[O-])CC1 ZINC000021595493 195317880 /nfs/dbraw/zinc/31/78/80/195317880.db2.gz OJKXFCPYGAMEIX-UHFFFAOYSA-N 0 0 456.502 5.892 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)c(C)c1 ZINC000021595562 195317898 /nfs/dbraw/zinc/31/78/98/195317898.db2.gz OFCHVSSPPFELKE-UHFFFAOYSA-N 0 0 477.929 7.140 40 5 JKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)c1 ZINC000059294038 195396670 /nfs/dbraw/zinc/39/66/70/195396670.db2.gz UJYWKJUVFHLWDN-UHFFFAOYSA-N 0 0 477.929 7.140 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5F)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000059294080 195396769 /nfs/dbraw/zinc/39/67/69/195396769.db2.gz YNHSBDZDRCGYOQ-UHFFFAOYSA-N 0 0 474.492 6.031 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2c(-c3ccccc3)cc(C(=S)N3CCOCC3)c2-c2ccccc2)cc1 ZINC000059427700 195401644 /nfs/dbraw/zinc/40/16/44/195401644.db2.gz DERZDAGGDSXNLH-UHFFFAOYSA-N 0 0 469.566 5.727 40 5 JKBBRN O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])sc2c1 ZINC000059474794 195403965 /nfs/dbraw/zinc/40/39/65/195403965.db2.gz SAQJCBBSRNPZOE-UHFFFAOYSA-N 0 0 492.582 5.507 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 ZINC000059489692 195407102 /nfs/dbraw/zinc/40/71/02/195407102.db2.gz GVHYSNVABNPALP-UHFFFAOYSA-N 0 0 469.519 5.897 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc(NC(=O)CSc3ccccn3)cc2s1 ZINC000059855217 195412769 /nfs/dbraw/zinc/41/27/69/195412769.db2.gz TZATUGIGPOJQFY-UHFFFAOYSA-N 0 0 498.611 5.631 40 5 JKBBRN O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1Cl ZINC000106683260 195457274 /nfs/dbraw/zinc/45/72/74/195457274.db2.gz OSSBQUVVDQBJCA-NVNXTCNLSA-N 0 0 453.701 5.247 40 5 JKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCc1cccc(C)c1 ZINC000106722592 195460473 /nfs/dbraw/zinc/46/04/73/195460473.db2.gz JEZQDUDBDYKFQT-OYKKKHCWSA-N 0 0 490.537 5.727 40 5 JKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224879142 195473490 /nfs/dbraw/zinc/47/34/90/195473490.db2.gz CXMAZBSWPQSHGL-MRXNPFEDSA-N 0 0 492.403 5.310 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000020456487 519021136 /nfs/dbraw/zinc/02/11/36/519021136.db2.gz SAYZVGICKHCBNG-UHFFFAOYSA-N 0 0 467.547 5.087 40 5 JKBBRN CC(=O)Nc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 ZINC000016321171 519709120 /nfs/dbraw/zinc/70/91/20/519709120.db2.gz CPYSMMUXFLBEJH-IKPAITLHSA-N 0 0 461.546 7.054 40 5 JKBBRN CC(C)COC(=O)c1cc2cccc3c4cccc5cccc(c54)c(c1C(=O)OCC(C)C)c23 ZINC000083411148 519750872 /nfs/dbraw/zinc/75/08/72/519750872.db2.gz SDKNPMBAQGMLAD-UHFFFAOYSA-N 0 0 452.550 7.363 40 5 JKBBRN CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000032111841 519840831 /nfs/dbraw/zinc/84/08/31/519840831.db2.gz TXLUODTWKMNMDD-UHFFFAOYSA-N 0 0 460.515 5.653 40 5 JKBBRN CCOc1ccc(Oc2cc(NC(=O)C(=S)Nc3cccc(C)c3C)cc([N+](=O)[O-])c2)cc1 ZINC000020176911 521180407 /nfs/dbraw/zinc/18/04/07/521180407.db2.gz DWNLYGIFCPQJFU-UHFFFAOYSA-N 0 0 465.531 5.781 40 5 JKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000020258335 523106612 /nfs/dbraw/zinc/10/66/12/523106612.db2.gz YRUMQBNGOXJQKM-UHFFFAOYSA-N 0 0 498.870 5.463 40 5 JKBBRN Cc1cccc(NCc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2-c2ccccc2)c1 ZINC000020408337 524688111 /nfs/dbraw/zinc/68/81/11/524688111.db2.gz PUPUDQJTXICDTJ-UHFFFAOYSA-N 0 0 471.546 5.265 40 5 JKBBRN Cc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c([N+](=O)[O-])c1 ZINC000024522183 524931024 /nfs/dbraw/zinc/93/10/24/524931024.db2.gz CULLILOECVSYHZ-UHFFFAOYSA-N 0 0 464.433 6.474 40 5 JKBBRN Cc1ccc(NCc2nnc(SCc3nc4cc([N+](=O)[O-])ccc4[nH]3)n2-c2ccccc2)cc1 ZINC000020367890 525289651 /nfs/dbraw/zinc/28/96/51/525289651.db2.gz MQTYCDMJPVTPBH-UHFFFAOYSA-N 0 0 471.546 5.265 40 5 JKBBRN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1 ZINC000020459493 525602338 /nfs/dbraw/zinc/60/23/38/525602338.db2.gz JVBBXIJBGIZZSU-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN O=C(Oc1cccc(N2CCN(C(=O)c3c4ccccc4nc4ccccc43)CC2)c1)c1ccccc1 ZINC000026522408 526445875 /nfs/dbraw/zinc/44/58/75/526445875.db2.gz AIBKONTYPMRBGL-UHFFFAOYSA-N 0 0 487.559 5.570 40 5 JKBBRN Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc([N+](=O)[O-])c2)c2ccccc2)c1C ZINC000026770799 526884313 /nfs/dbraw/zinc/88/43/13/526884313.db2.gz FNPMKAZZCWIIST-XMMPIXPASA-N 0 0 457.555 6.727 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000020457499 527261756 /nfs/dbraw/zinc/26/17/56/527261756.db2.gz FKXFNDJPLVZHPP-UHFFFAOYSA-N 0 0 498.451 5.800 40 5 JKBBRN Nc1ccc2c(c1)nc1ccccc1c2SCCSc1c2ccccc2nc2cc(N)ccc21 ZINC000005615616 527509044 /nfs/dbraw/zinc/50/90/44/527509044.db2.gz MRJHDAKEJAELBN-UHFFFAOYSA-N 0 0 478.646 7.138 40 5 JKBBRN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(-c2ncc(-c3ccccc3)o2)cc1 ZINC000000821792 553786745 /nfs/dbraw/zinc/78/67/45/553786745.db2.gz RROIJFQBYTWPAL-UHFFFAOYSA-N 0 0 461.433 5.871 40 5 JKBBRN O=C(Nc1cccc(OC(=O)c2ccc(Oc3ccccc3)cc2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000000832267 553790736 /nfs/dbraw/zinc/79/07/36/553790736.db2.gz NIWFZYKXLSFGKP-UHFFFAOYSA-N 0 0 454.438 5.859 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C(=O)c1sc2ccccc2c1Cl)C1CCCCC1 ZINC000000853527 553799113 /nfs/dbraw/zinc/79/91/13/553799113.db2.gz GTYRVNPQBSCFFY-UHFFFAOYSA-N 0 0 485.993 6.185 40 5 JKBBRN O=C(CN(Cc1ccco1)C(=O)c1cccc([N+](=O)[O-])c1)Nc1c(Cl)cc(Cl)cc1Cl ZINC000000857097 553800867 /nfs/dbraw/zinc/80/08/67/553800867.db2.gz BGTWICJQLSKVLL-UHFFFAOYSA-N 0 0 482.707 5.429 40 5 JKBBRN O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 ZINC000000882916 553819772 /nfs/dbraw/zinc/81/97/72/553819772.db2.gz QVBDZNHCYNSFMA-UHFFFAOYSA-N 0 0 494.964 5.172 40 5 JKBBRN CCCC/C(Br)=C(/Br)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001600699 553980183 /nfs/dbraw/zinc/98/01/83/553980183.db2.gz QOICWSKPFGEAMF-YPKPFQOOSA-N 0 0 480.109 5.242 40 5 JKBBRN O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)O[C@@H](C(Cl)(Cl)Cl)O[C@@H]2C(Cl)(Cl)Cl ZINC000001615449 553980484 /nfs/dbraw/zinc/98/04/84/553980484.db2.gz FHFYDARLLMBMPK-JGVFFNPUSA-N 0 0 460.868 5.020 40 5 JKBBRN O=[N+]([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)c2ccc3c(c2)[C@@H](O)c2ccccc2-3)cc1 ZINC000001608854 553980494 /nfs/dbraw/zinc/98/04/94/553980494.db2.gz HSIQHLQAKLYRAP-MHZLTWQESA-N 0 0 467.481 5.772 40 5 JKBBRN CC(=O)Nc1ccc2c(cccc2[N+](=O)[O-])c1-c1c(NC(C)=O)ccc2c1cccc2[N+](=O)[O-] ZINC000001610573 553980511 /nfs/dbraw/zinc/98/05/11/553980511.db2.gz HJROUXUOYTYMDG-UHFFFAOYSA-N 0 0 458.430 5.393 40 5 JKBBRN COc1ccc(OC)c(/C=C/c2cc(/C=C/c3cc(OC)ccc3OC)c([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000001714442 553984736 /nfs/dbraw/zinc/98/47/36/553984736.db2.gz NCPLDOOQUOIPTK-KQQUZDAGSA-N 0 0 492.484 5.878 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000001860228 553997573 /nfs/dbraw/zinc/99/75/73/553997573.db2.gz JDNYEIMNRFKYBI-AWEZNQCLSA-N 0 0 463.921 7.131 40 5 JKBBRN CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000001916428 554003820 /nfs/dbraw/zinc/00/38/20/554003820.db2.gz LMXYHSUJJQBCLF-UHFFFAOYSA-N 0 0 490.379 5.796 40 5 JKBBRN CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)C(=O)O2)cc1 ZINC000002188105 554084185 /nfs/dbraw/zinc/08/41/85/554084185.db2.gz WIZPILKXRNDVFI-HZHRSRAPSA-N 0 0 470.481 5.456 40 5 JKBBRN Cc1ccc(-n2nc3ccccc3n2)cc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000002548203 554235436 /nfs/dbraw/zinc/23/54/36/554235436.db2.gz CAIHNOBYYSMXJC-UHFFFAOYSA-N 0 0 453.458 5.458 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000002744294 554323027 /nfs/dbraw/zinc/32/30/27/554323027.db2.gz QNCNBHGULSXKBW-WQRHYEAKSA-N 0 0 484.917 5.632 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1cccc2ccccc21 ZINC000002751243 554326390 /nfs/dbraw/zinc/32/63/90/554326390.db2.gz PMYUNBICVBQAND-UHFFFAOYSA-N 0 0 455.469 7.410 40 5 JKBBRN Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2[N+](=O)[O-])c(C(=O)c2ccccc2)c1 ZINC000003015446 554423343 /nfs/dbraw/zinc/42/33/43/554423343.db2.gz BKFGKLZRXTXECI-UHFFFAOYSA-N 0 0 479.492 5.639 40 5 JKBBRN O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 ZINC000003143806 554426985 /nfs/dbraw/zinc/42/69/85/554426985.db2.gz JQBPXHSHWFMRSH-QOMWVZHYSA-N 0 0 477.520 5.272 40 5 JKBBRN O=C(OCC(F)(F)C(F)F)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000003146085 554427732 /nfs/dbraw/zinc/42/77/32/554427732.db2.gz QFFMRIMSAZICPA-UHFFFAOYSA-N 0 0 499.800 6.890 40 5 JKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4Cl)n3-c3ccccc3)c[nH]c2c1 ZINC000003667545 554469839 /nfs/dbraw/zinc/46/98/39/554469839.db2.gz WXBNGNUEEFNPSM-UHFFFAOYSA-N 0 0 461.934 6.270 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2cccc3ccccc23)cc1/C=C\c1cccc2ccccc12 ZINC000005080560 554486265 /nfs/dbraw/zinc/48/62/65/554486265.db2.gz RGHATJSZJXJOTP-IQRFGFHNSA-N 0 0 472.500 8.150 40 5 JKBBRN O=[N+]([O-])/C=C/c1cn(CCCCCCCCn2cc(/C=C/[N+](=O)[O-])c3ccccc32)c2ccccc12 ZINC000005741532 554493546 /nfs/dbraw/zinc/49/35/46/554493546.db2.gz AOHDCEYPGMZIKQ-MXWIWYRXSA-N 0 0 486.572 7.132 40 5 JKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000005945000 554497163 /nfs/dbraw/zinc/49/71/63/554497163.db2.gz XIDFETJJECSENZ-UHFFFAOYSA-N 0 0 470.529 6.379 40 5 JKBBRN CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000006074026 554501757 /nfs/dbraw/zinc/50/17/57/554501757.db2.gz SPVVKABHUIDWRR-MHZLTWQESA-N 0 0 454.482 5.122 40 5 JKBBRN C[C@H](Sc1nnc(C2CCCCC2)n1-c1cccc(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000006177160 554514688 /nfs/dbraw/zinc/51/46/88/554514688.db2.gz UCAVKFJTLNAAKP-HNNXBMFYSA-N 0 0 485.997 5.996 40 5 JKBBRN Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006246613 554523170 /nfs/dbraw/zinc/52/31/70/554523170.db2.gz MPONSKWNNSGYCC-KRWDZBQOSA-N 0 0 459.531 5.270 40 5 JKBBRN Cc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc(Cl)cc2)cc1 ZINC000006280184 554524506 /nfs/dbraw/zinc/52/45/06/554524506.db2.gz AXWMVAKCIKCZLJ-UHFFFAOYSA-N 0 0 479.949 5.535 40 5 JKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000006297376 554528846 /nfs/dbraw/zinc/52/88/46/554528846.db2.gz CONHCSICRSXMBL-UHFFFAOYSA-N 0 0 494.554 5.016 40 5 JKBBRN Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442623 554536760 /nfs/dbraw/zinc/53/67/60/554536760.db2.gz BRXHFTRQFVGZKU-SFHVURJKSA-N 0 0 488.573 5.215 40 5 JKBBRN Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)c1 ZINC000006442645 554536765 /nfs/dbraw/zinc/53/67/65/554536765.db2.gz BRXHFTRQFVGZKU-GOSISDBHSA-N 0 0 488.573 5.215 40 5 JKBBRN Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2-c2cccc(Cl)c2)c1 ZINC000006442744 554537246 /nfs/dbraw/zinc/53/72/46/554537246.db2.gz QFMFRHIVOCVUQA-UHFFFAOYSA-N 0 0 479.949 5.535 40 5 JKBBRN O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474718 554544333 /nfs/dbraw/zinc/54/43/33/554544333.db2.gz JJNQDZKAWCCYEK-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc(Cl)c1 ZINC000006474757 554544575 /nfs/dbraw/zinc/54/45/75/554544575.db2.gz AGZIUBCTYDSOIV-UHFFFAOYSA-N 0 0 465.922 5.227 40 5 JKBBRN CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)c2c1 ZINC000006631075 554556409 /nfs/dbraw/zinc/55/64/09/554556409.db2.gz OHOUIMLYKAGELX-UHFFFAOYSA-N 0 0 490.541 5.343 40 5 JKBBRN CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12 ZINC000006860424 554559145 /nfs/dbraw/zinc/55/91/45/554559145.db2.gz HDZKNFGAVRCTPT-UHFFFAOYSA-N 0 0 463.606 7.052 40 5 JKBBRN COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 ZINC000007060202 554563634 /nfs/dbraw/zinc/56/36/34/554563634.db2.gz GCYPHNFEEFGGGB-UHFFFAOYSA-N 0 0 491.813 5.238 40 5 JKBBRN Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2c(C)c1 ZINC000008831114 554721171 /nfs/dbraw/zinc/72/11/71/554721171.db2.gz RRZUBPYSZPZTTL-UHFFFAOYSA-N 0 0 452.517 5.208 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cc(Br)ccc1Cl ZINC000008831312 554721825 /nfs/dbraw/zinc/72/18/25/554721825.db2.gz JVHBBWDXXXAQCE-UHFFFAOYSA-N 0 0 463.140 5.099 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl ZINC000008831905 554724447 /nfs/dbraw/zinc/72/44/47/554724447.db2.gz DOKQJALWZJAEAG-RUDMXATFSA-N 0 0 454.269 6.362 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000008831953 554724641 /nfs/dbraw/zinc/72/46/41/554724641.db2.gz FJROTLSCPYDFCK-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000008831994 554724901 /nfs/dbraw/zinc/72/49/01/554724901.db2.gz HIQHTYPHLOTMRR-KPKJPENVSA-N 0 0 457.486 6.187 40 5 JKBBRN COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1OC ZINC000008832064 554725084 /nfs/dbraw/zinc/72/50/84/554725084.db2.gz HDRDENHRTXOABW-UHFFFAOYSA-N 0 0 451.460 5.248 40 5 JKBBRN Cc1cc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)ccc1[N+](=O)[O-] ZINC000008832114 554725273 /nfs/dbraw/zinc/72/52/73/554725273.db2.gz FWDPVEYCPAMBRF-UHFFFAOYSA-N 0 0 457.873 6.770 40 5 JKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000008832173 554725441 /nfs/dbraw/zinc/72/54/41/554725441.db2.gz ZMYRYIIXNKCAQT-YRNVUSSQSA-N 0 0 461.909 5.505 40 5 JKBBRN Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008832228 554725883 /nfs/dbraw/zinc/72/58/83/554725883.db2.gz PDNKHBFPDIHIJF-YCRREMRBSA-N 0 0 451.845 5.082 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000008832388 554726551 /nfs/dbraw/zinc/72/65/51/554726551.db2.gz RVJZGFAKIVURKV-UHFFFAOYSA-N 0 0 469.497 5.529 40 5 JKBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)c1C ZINC000008833091 554729607 /nfs/dbraw/zinc/72/96/07/554729607.db2.gz YAROVTGERGJLMJ-UXBLZVDNSA-N 0 0 490.368 6.305 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1F ZINC000008833308 554730510 /nfs/dbraw/zinc/73/05/10/554730510.db2.gz HRKVPOOQWMQMHE-ZZXKWVIFSA-N 0 0 480.304 5.827 40 5 JKBBRN CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)ccc3O)nc2c1 ZINC000008835208 554733787 /nfs/dbraw/zinc/73/37/87/554733787.db2.gz FIPBEKUBMABLBQ-UHFFFAOYSA-N 0 0 476.514 5.106 40 5 JKBBRN COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000008835344 554734199 /nfs/dbraw/zinc/73/41/99/554734199.db2.gz PCXYWZKJIOLQST-UHFFFAOYSA-N 0 0 476.514 5.155 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000008835494 554734623 /nfs/dbraw/zinc/73/46/23/554734623.db2.gz VAUBWFOPSNOERY-WEVVVXLNSA-N 0 0 492.340 5.697 40 5 JKBBRN 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O=C(c1ccc(-c2ccc(Br)cc2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008898651 554789416 /nfs/dbraw/zinc/78/94/16/554789416.db2.gz WOXPAPDKHTUOKI-UHFFFAOYSA-N 0 0 490.741 5.233 40 5 JKBBRN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000008898802 554789525 /nfs/dbraw/zinc/78/95/25/554789525.db2.gz DEAFRPVHZSAAJC-UHFFFAOYSA-N 0 0 474.542 5.269 40 5 JKBBRN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)sc2c1 ZINC000008899042 554789794 /nfs/dbraw/zinc/78/97/94/554789794.db2.gz KPJKJCYJQCQYGQ-UHFFFAOYSA-N 0 0 474.542 5.269 40 5 JKBBRN O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008899192 554790083 /nfs/dbraw/zinc/79/00/83/554790083.db2.gz ZQUNHHSIEQFNDM-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008899596 554790723 /nfs/dbraw/zinc/79/07/23/554790723.db2.gz FCQCJNYGMLQCSI-UHFFFAOYSA-N 0 0 497.507 7.047 40 5 JKBBRN 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CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)ccc3o2)cc1 ZINC000008903004 554796985 /nfs/dbraw/zinc/79/69/85/554796985.db2.gz RQNAFLQQGUBITC-UHFFFAOYSA-N 0 0 467.481 7.039 40 5 JKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(OC)cc4[N+](=O)[O-])o3)sc2c1 ZINC000008903254 554797259 /nfs/dbraw/zinc/79/72/59/554797259.db2.gz HVIVNEGAHXWFDV-UHFFFAOYSA-N 0 0 495.513 5.682 40 5 JKBBRN COc1ccc([C@@H]2[C@@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@@H]2C(=O)c2ccc(Cl)cc2)cc1OC ZINC000008974442 554845823 /nfs/dbraw/zinc/84/58/23/554845823.db2.gz QDIXKEGDBTYJGN-QUKDMSEQSA-N 0 0 490.943 5.253 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)ccc1OCc1ccc(C)cc1 ZINC000008990023 554851756 /nfs/dbraw/zinc/85/17/56/554851756.db2.gz OFQLODSXQNGHPS-XKZIYDEJSA-N 0 0 458.470 5.225 40 5 JKBBRN O=C(CSc1nc(-c2ccccc2)nc2c3ccccc3ccc12)Nc1ccc([N+](=O)[O-])cc1 ZINC000009057298 554876512 /nfs/dbraw/zinc/87/65/12/554876512.db2.gz PVFURVIFXALSCT-UHFFFAOYSA-N 0 0 466.522 6.089 40 5 JKBBRN COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009058356 554877352 /nfs/dbraw/zinc/87/73/52/554877352.db2.gz GISPFPVXUXPFEA-UHFFFAOYSA-N 0 0 487.921 5.218 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000009062386 554879890 /nfs/dbraw/zinc/87/98/90/554879890.db2.gz AXSRENZNQPAZKV-UHFFFAOYSA-N 0 0 498.282 5.456 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 ZINC000009062465 554880219 /nfs/dbraw/zinc/88/02/19/554880219.db2.gz DUEMKYBMLQOGGN-UHFFFAOYSA-N 0 0 479.905 5.271 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000009142430 554935908 /nfs/dbraw/zinc/93/59/08/554935908.db2.gz CLURXXUQCXJZSZ-UHFFFAOYSA-N 0 0 470.721 5.942 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)o1 ZINC000009200033 554971478 /nfs/dbraw/zinc/97/14/78/554971478.db2.gz MZJJUWAUCFRNQU-UHFFFAOYSA-N 0 0 460.515 5.197 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1c(F)cccc1Cl ZINC000009232643 555005018 /nfs/dbraw/zinc/00/50/18/555005018.db2.gz KLQHYTWFFKCCSE-WSDLNYQXSA-N 0 0 498.919 6.203 40 5 JKBBRN O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]2C=Cc3ccccc3N21 ZINC000009636673 555344310 /nfs/dbraw/zinc/34/43/10/555344310.db2.gz NVSRYIFVBUTHEE-XQUALCHDSA-N 0 0 475.342 5.345 40 5 JKBBRN Nc1ccc2nc3cc(Nc4ccccc4)/c(=N\c4ccccc4)cc-3n(-c3ccccc3)c2c1 ZINC000013282694 555370894 /nfs/dbraw/zinc/37/08/94/555370894.db2.gz MQJDQAXDVFYIPJ-KGGMANCPSA-N 0 0 453.549 6.689 40 5 JKBBRN O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013371644 555392287 /nfs/dbraw/zinc/39/22/87/555392287.db2.gz PXDHZVMLLCEIQT-UHFFFAOYSA-N 0 0 461.861 6.013 40 5 JKBBRN Cc1cccc(-c2nnc(SCC(=O)N(Cc3ccc(Cl)cc3)c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000013371982 555392681 /nfs/dbraw/zinc/39/26/81/555392681.db2.gz LBEASIHFOKZSMA-UHFFFAOYSA-N 0 0 494.960 5.932 40 5 JKBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5C)o4)cc3n2)cc1 ZINC000013371656 555392694 /nfs/dbraw/zinc/39/26/94/555392694.db2.gz PFEOQVVYBQISMV-UHFFFAOYSA-N 0 0 453.458 5.458 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc43)cc2)o1 ZINC000013382065 555393539 /nfs/dbraw/zinc/39/35/39/555393539.db2.gz YBZMJDXETBGJCI-UHFFFAOYSA-N 0 0 491.503 6.821 40 5 JKBBRN O=C(Oc1ccc(Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000013424200 555398070 /nfs/dbraw/zinc/39/80/70/555398070.db2.gz BGGZYYMQNFJYOJ-UHFFFAOYSA-N 0 0 498.447 5.532 40 5 JKBBRN CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509722 555481561 /nfs/dbraw/zinc/48/15/61/555481561.db2.gz LQMWGLFJLVHCOI-UHFFFAOYSA-N 0 0 477.952 5.945 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 ZINC000013509758 555481816 /nfs/dbraw/zinc/48/18/16/555481816.db2.gz LLNVFGDSLUCAJN-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] ZINC000013509734 555481822 /nfs/dbraw/zinc/48/18/22/555481822.db2.gz WITVOWWVEIIZIC-UHFFFAOYSA-N 0 0 492.967 6.336 40 5 JKBBRN COc1ccc(-c2nsc3c2ncnc3S[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000013510951 555482844 /nfs/dbraw/zinc/48/28/44/555482844.db2.gz KBCBBLNRBUYWNW-CYBMUJFWSA-N 0 0 481.559 5.098 40 5 JKBBRN O=C(CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21)Nc1ccc(Cl)c(Cl)c1 ZINC000013511036 555483030 /nfs/dbraw/zinc/48/30/30/555483030.db2.gz VWDJJRZNMJISFF-UHFFFAOYSA-N 0 0 492.369 5.699 40 5 JKBBRN CCc1cccc(CC)c1NC(=O)CSc1ncnc2c(-c3ccc([N+](=O)[O-])cc3)nsc21 ZINC000013511016 555483066 /nfs/dbraw/zinc/48/30/66/555483066.db2.gz JKQGJLJQBNNANA-UHFFFAOYSA-N 0 0 479.587 5.517 40 5 JKBBRN Cc1ccc(OCc2nnc(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)o2)cc1C ZINC000019928036 555543300 /nfs/dbraw/zinc/54/33/00/555543300.db2.gz DRDQYSQSNZAMHW-UHFFFAOYSA-N 0 0 483.333 5.211 40 5 JKBBRN 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CCc1cc2nc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)oc2c(Br)c1 ZINC000010119752 555631184 /nfs/dbraw/zinc/63/11/84/555631184.db2.gz VRRBLKRYMAPUQC-UHFFFAOYSA-N 0 0 466.291 5.980 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2c(Br)c1 ZINC000010119753 555631230 /nfs/dbraw/zinc/63/12/30/555631230.db2.gz CKFUSZABKRTHEX-UHFFFAOYSA-N 0 0 466.291 5.980 40 5 JKBBRN CCc1cc2nc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)oc2c(Br)c1 ZINC000010119812 555631462 /nfs/dbraw/zinc/63/14/62/555631462.db2.gz PSCUEMTZEZOONW-UHFFFAOYSA-N 0 0 496.317 5.745 40 5 JKBBRN COc1cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc(OC)c1OC ZINC000010120245 555632514 /nfs/dbraw/zinc/63/25/14/555632514.db2.gz BVXQOZBAGIVSBE-JXMROGBWSA-N 0 0 475.457 5.081 40 5 JKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)oc2cc1C ZINC000010120415 555633117 /nfs/dbraw/zinc/63/31/17/555633117.db2.gz YYDVNDFDHJTQTE-UHFFFAOYSA-N 0 0 467.481 6.210 40 5 JKBBRN CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1 ZINC000013871602 555637880 /nfs/dbraw/zinc/63/78/80/555637880.db2.gz QPIJPSIKJDHFPI-AWEZNQCLSA-N 0 0 489.985 5.293 40 5 JKBBRN CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2CC)cc1 ZINC000013871603 555637919 /nfs/dbraw/zinc/63/79/19/555637919.db2.gz QPIJPSIKJDHFPI-CQSZACIVSA-N 0 0 489.985 5.293 40 5 JKBBRN C[C@]1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000013896870 555644260 /nfs/dbraw/zinc/64/42/60/555644260.db2.gz XTVFVZDEWCQZJA-GDLZYMKVSA-N 0 0 461.521 6.682 40 5 JKBBRN COc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1-c1ccc(CO)o1 ZINC000020139643 555662591 /nfs/dbraw/zinc/66/25/91/555662591.db2.gz SCKWMKVVPVAOSN-UHFFFAOYSA-N 0 0 458.879 5.476 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000020142665 555663859 /nfs/dbraw/zinc/66/38/59/555663859.db2.gz OTUZBBMPCMZTHA-UHFFFAOYSA-N 0 0 469.925 5.489 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020145340 555664378 /nfs/dbraw/zinc/66/43/78/555664378.db2.gz ZMKXJFUPWIMZQQ-XYOKQWHBSA-N 0 0 464.861 5.912 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 ZINC000020145354 555664384 /nfs/dbraw/zinc/66/43/84/555664384.db2.gz AFZHLYJWSMGPQO-UKTHLTGXSA-N 0 0 460.442 5.268 40 5 JKBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1 ZINC000020151055 555667969 /nfs/dbraw/zinc/66/79/69/555667969.db2.gz KGRUSDGUKICNHG-KPKJPENVSA-N 0 0 474.469 5.576 40 5 JKBBRN O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020195588 555695666 /nfs/dbraw/zinc/69/56/66/555695666.db2.gz OIXDXFGONSOLNM-UHFFFAOYSA-N 0 0 458.714 5.071 40 5 JKBBRN CCc1nnc2sc(-c3ccc(C)c(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CCCC4)c3)nn12 ZINC000010372887 555700541 /nfs/dbraw/zinc/70/05/41/555700541.db2.gz IUBYGNZCGGCEMW-UHFFFAOYSA-N 0 0 476.562 5.082 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372862 555700597 /nfs/dbraw/zinc/70/05/97/555700597.db2.gz PCPRBGDUNIBABY-UHFFFAOYSA-N 0 0 461.484 6.054 40 5 JKBBRN Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014269429 555759174 /nfs/dbraw/zinc/75/91/74/555759174.db2.gz CZFNXCJEQRRWSG-UHFFFAOYSA-N 0 0 460.309 5.053 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000014269448 555759237 /nfs/dbraw/zinc/75/92/37/555759237.db2.gz CSJRSOUNBVQYQS-UHFFFAOYSA-N 0 0 466.302 5.297 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000014269794 555760353 /nfs/dbraw/zinc/76/03/53/555760353.db2.gz DLGULRYVMIFYIL-JXMROGBWSA-N 0 0 462.314 5.688 40 5 JKBBRN Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C ZINC000014269968 555760712 /nfs/dbraw/zinc/76/07/12/555760712.db2.gz NTTUIUOSLLMQCV-UHFFFAOYSA-N 0 0 464.330 5.905 40 5 JKBBRN Cc1nc(SCc2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2)n[nH]1 ZINC000020293595 555762230 /nfs/dbraw/zinc/76/22/30/555762230.db2.gz ZQYFESPOUXMTRL-UHFFFAOYSA-N 0 0 459.940 5.434 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc2c(Cl)cccc12 ZINC000014270394 555762625 /nfs/dbraw/zinc/76/26/25/555762625.db2.gz DMCLSTAIYODJHP-UHFFFAOYSA-N 0 0 464.728 5.291 40 5 JKBBRN O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000014270497 555762822 /nfs/dbraw/zinc/76/28/22/555762822.db2.gz WZPNWBZRRGRWOX-UHFFFAOYSA-N 0 0 468.947 5.652 40 5 JKBBRN COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014271993 555768471 /nfs/dbraw/zinc/76/84/71/555768471.db2.gz NFJFYTGNTRJXQP-YRNVUSSQSA-N 0 0 465.918 6.185 40 5 JKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014272188 555769070 /nfs/dbraw/zinc/76/90/70/555769070.db2.gz PMHWEZFIJSXWRQ-UHFFFAOYSA-N 0 0 462.893 5.909 40 5 JKBBRN CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014272294 555769400 /nfs/dbraw/zinc/76/94/00/555769400.db2.gz QJEOPGGQMYAUGT-UHFFFAOYSA-N 0 0 472.501 5.054 40 5 JKBBRN CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014272248 555769425 /nfs/dbraw/zinc/76/94/25/555769425.db2.gz QEJVJTYSLXCSDY-UHFFFAOYSA-N 0 0 472.501 5.054 40 5 JKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1 ZINC000014272362 555769660 /nfs/dbraw/zinc/76/96/60/555769660.db2.gz OTFRVXWVYSCGRI-UHFFFAOYSA-N 0 0 453.454 6.532 40 5 JKBBRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000014272368 555769678 /nfs/dbraw/zinc/76/96/78/555769678.db2.gz SYXYCVBKTHVMRB-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000014272759 555771014 /nfs/dbraw/zinc/77/10/14/555771014.db2.gz RQSWGXSXSOIFQG-UHFFFAOYSA-N 0 0 459.506 5.412 40 5 JKBBRN COc1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 ZINC000014272996 555771907 /nfs/dbraw/zinc/77/19/07/555771907.db2.gz XMMIAMQPIUMTRJ-WEVVVXLNSA-N 0 0 457.895 5.223 40 5 JKBBRN COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1ccccc1Cl ZINC000014273019 555771960 /nfs/dbraw/zinc/77/19/60/555771960.db2.gz DTWLYMREBKUMCC-UHFFFAOYSA-N 0 0 460.273 5.415 40 5 JKBBRN COc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1cccs1 ZINC000014273000 555771964 /nfs/dbraw/zinc/77/19/64/555771964.db2.gz BZLOCPCUUSJJAB-UHFFFAOYSA-N 0 0 463.471 5.430 40 5 JKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014273180 555772495 /nfs/dbraw/zinc/77/24/95/555772495.db2.gz UHNHCTDDCMIFTL-UHFFFAOYSA-N 0 0 455.470 5.221 40 5 JKBBRN CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000014273961 555775373 /nfs/dbraw/zinc/77/53/73/555775373.db2.gz YMXPJSPUVCZNBB-UHFFFAOYSA-N 0 0 474.542 5.331 40 5 JKBBRN Cc1c(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cccc1[N+](=O)[O-] ZINC000014273967 555775379 /nfs/dbraw/zinc/77/53/79/555775379.db2.gz FRYRKACSFLMIHQ-UHFFFAOYSA-N 0 0 488.569 5.639 40 5 JKBBRN O=C(NC(=S)Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014274105 555775638 /nfs/dbraw/zinc/77/56/38/555775638.db2.gz PPKFITZLRZTFEN-UHFFFAOYSA-N 0 0 492.538 5.295 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000014274564 555777071 /nfs/dbraw/zinc/77/70/71/555777071.db2.gz IRCLXVRJPPVGQY-WEVVVXLNSA-N 0 0 492.340 5.697 40 5 JKBBRN O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014274758 555778019 /nfs/dbraw/zinc/77/80/19/555778019.db2.gz QRQJHWXXAKKSRR-UHFFFAOYSA-N 0 0 487.541 5.130 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3O)oc2c(C)c1 ZINC000014275057 555779357 /nfs/dbraw/zinc/77/93/57/555779357.db2.gz MANMFALRXJQKJK-UHFFFAOYSA-N 0 0 476.514 5.161 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353314 555781175 /nfs/dbraw/zinc/78/11/75/555781175.db2.gz SJTDXABTSRJYIX-HNNXBMFYSA-N 0 0 488.569 6.352 40 5 JKBBRN COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000014275694 555781452 /nfs/dbraw/zinc/78/14/52/555781452.db2.gz DKJNYSYWPBKLPO-UHFFFAOYSA-N 0 0 476.514 5.155 40 5 JKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000014275944 555782278 /nfs/dbraw/zinc/78/22/78/555782278.db2.gz ARDCHLKBAJEKOB-UHFFFAOYSA-N 0 0 474.778 6.205 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014276009 555782523 /nfs/dbraw/zinc/78/25/23/555782523.db2.gz YFNNJJCRIBINMZ-UHFFFAOYSA-N 0 0 480.727 5.398 40 5 JKBBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277731 555786619 /nfs/dbraw/zinc/78/66/19/555786619.db2.gz FRECWKVPWUUDAX-UHFFFAOYSA-N 0 0 476.920 6.217 40 5 JKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014277653 555786639 /nfs/dbraw/zinc/78/66/39/555786639.db2.gz WMCCVKQFJXPJMI-UHFFFAOYSA-N 0 0 475.913 7.037 40 5 JKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014277755 555786795 /nfs/dbraw/zinc/78/67/95/555786795.db2.gz BTBXBNROAFHUQK-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000014277775 555786821 /nfs/dbraw/zinc/78/68/21/555786821.db2.gz GSXJRSLTYCMUHC-UHFFFAOYSA-N 0 0 494.290 7.222 40 5 JKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277872 555787188 /nfs/dbraw/zinc/78/71/88/555787188.db2.gz KPIHVMMQJBMSRX-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 ZINC000014277948 555787417 /nfs/dbraw/zinc/78/74/17/555787417.db2.gz NMVVYBXGGKOHIE-QGZVFWFLSA-N 0 0 481.508 7.429 40 5 JKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000014278173 555787934 /nfs/dbraw/zinc/78/79/34/555787934.db2.gz XJTQVCWCTRVNIE-FNORWQNLSA-N 0 0 486.336 6.937 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000014278855 555789668 /nfs/dbraw/zinc/78/96/68/555789668.db2.gz CFAIGTCMKNCMEZ-UHFFFAOYSA-N 0 0 484.512 5.836 40 5 JKBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020412133 555789896 /nfs/dbraw/zinc/78/98/96/555789896.db2.gz YMRAYHIYAJIPAC-UHFFFAOYSA-N 0 0 458.923 6.205 40 5 JKBBRN CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000014279226 555790809 /nfs/dbraw/zinc/79/08/09/555790809.db2.gz ZWDBEDKSLHJJRC-UHFFFAOYSA-N 0 0 496.951 5.065 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C(C)C)cc2)cc1 ZINC000014411428 555810647 /nfs/dbraw/zinc/81/06/47/555810647.db2.gz XPBDUABSOJSDGF-UHFFFAOYSA-N 0 0 481.574 5.169 40 5 JKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000021580668 555852528 /nfs/dbraw/zinc/85/25/28/555852528.db2.gz YAFDHTFDNJMDIE-UHFFFAOYSA-N 0 0 454.442 5.659 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4oc(-c5ccc(F)cc5)nc4c3)cc2[N+](=O)[O-])CC1 ZINC000021595919 555854262 /nfs/dbraw/zinc/85/42/62/555854262.db2.gz ZSNARNYDNRNJHJ-UHFFFAOYSA-N 0 0 474.492 6.031 40 5 JKBBRN CCCCCCSc1nnc2c(n1)O[C@H](c1cc([N+](=O)[O-])ccc1OC)Nc1ccccc1-2 ZINC000015015448 555855745 /nfs/dbraw/zinc/85/57/45/555855745.db2.gz CHEFFJPVOZGECD-OAQYLSRUSA-N 0 0 467.551 5.631 40 5 JKBBRN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3C)o1)Nc1ccccc1-2 ZINC000015018371 555858968 /nfs/dbraw/zinc/85/89/68/555858968.db2.gz IONIJTWQWAWRMH-QHCPKHFHSA-N 0 0 489.557 6.411 40 5 JKBBRN COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c([N+](=O)[O-])c1 ZINC000022108227 555875311 /nfs/dbraw/zinc/87/53/11/555875311.db2.gz WJBNWJGIKUVPFI-OPIFHRFKSA-N 0 0 478.504 5.027 40 5 JKBBRN Nc1cc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)ccc1Cl ZINC000015135370 555879692 /nfs/dbraw/zinc/87/96/92/555879692.db2.gz GTXDPDHASWRQOR-GNVQSUKOSA-N 0 0 453.954 7.331 40 5 JKBBRN COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2ccccc2)cc1OC ZINC000015277047 555892598 /nfs/dbraw/zinc/89/25/98/555892598.db2.gz NWBLJMIVNNCRMR-QPLCGJKRSA-N 0 0 461.543 5.617 40 5 JKBBRN Cc1cc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000022257631 555905314 /nfs/dbraw/zinc/90/53/14/555905314.db2.gz MJPLEWKGRFZOKT-UHFFFAOYSA-N 0 0 493.347 5.466 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000022534513 555932976 /nfs/dbraw/zinc/93/29/76/555932976.db2.gz OHOANFBKJBVSRA-WEVVVXLNSA-N 0 0 452.677 6.572 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000022562637 555934627 /nfs/dbraw/zinc/93/46/27/555934627.db2.gz VUVCIBBFXNXOKC-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1[N+](=O)[O-] ZINC000022566938 555936233 /nfs/dbraw/zinc/93/62/33/555936233.db2.gz BIFNRBCCSFKYMV-MRXNPFEDSA-N 0 0 459.502 6.568 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022571347 555937434 /nfs/dbraw/zinc/93/74/34/555937434.db2.gz SYHCYPPSEXONBB-UHFFFAOYSA-N 0 0 462.893 5.909 40 5 JKBBRN O=C(Nc1cccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1)c1cccc(Cl)c1 ZINC000022574642 555938376 /nfs/dbraw/zinc/93/83/76/555938376.db2.gz IRGRNMOZECTYEK-UHFFFAOYSA-N 0 0 464.909 5.353 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)o2)cc1Cl ZINC000022576337 555938634 /nfs/dbraw/zinc/93/86/34/555938634.db2.gz XGEBTPRNZRAVKM-CSKARUKUSA-N 0 0 465.918 6.592 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000022707863 555944274 /nfs/dbraw/zinc/94/42/74/555944274.db2.gz BKDFHYUDLBAYDB-JXMROGBWSA-N 0 0 471.922 5.352 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2c(C)c1 ZINC000022708185 555944792 /nfs/dbraw/zinc/94/47/92/555944792.db2.gz TYAUDVRBEFMZAF-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CCc1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)nc2c1 ZINC000022708191 555944839 /nfs/dbraw/zinc/94/48/39/555944839.db2.gz CEQYNQOHMNILFF-UHFFFAOYSA-N 0 0 472.501 5.054 40 5 JKBBRN Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3)oc2cc1C ZINC000022708193 555944842 /nfs/dbraw/zinc/94/48/42/555944842.db2.gz PVYSDIZJAURNHR-UHFFFAOYSA-N 0 0 472.501 5.109 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000022709046 555945176 /nfs/dbraw/zinc/94/51/76/555945176.db2.gz RZJHNVLGFDMYQO-UHFFFAOYSA-N 0 0 473.312 5.925 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000022710566 555945748 /nfs/dbraw/zinc/94/57/48/555945748.db2.gz AVKGYMPNQKEBPG-OAHLLOKOSA-N 0 0 474.542 6.043 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl ZINC000022712269 555946338 /nfs/dbraw/zinc/94/63/38/555946338.db2.gz SUKAQJBHFCRYHO-RMKNXTFCSA-N 0 0 476.341 5.996 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022715409 555947217 /nfs/dbraw/zinc/94/72/17/555947217.db2.gz CNVFOXUXCLMVNM-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000022742313 555949910 /nfs/dbraw/zinc/94/99/10/555949910.db2.gz ZSKCLFZVTLCCIO-JXMROGBWSA-N 0 0 484.946 5.644 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000022745027 555950502 /nfs/dbraw/zinc/95/05/02/555950502.db2.gz VGKMSYMITFYQAR-UHFFFAOYSA-N 0 0 487.339 6.234 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)ccc3o2)c(Cl)c1 ZINC000022751194 555952650 /nfs/dbraw/zinc/95/26/50/555952650.db2.gz YIWPXJNZIZHDRZ-UHFFFAOYSA-N 0 0 492.919 5.454 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022753181 555953060 /nfs/dbraw/zinc/95/30/60/555953060.db2.gz DCFAPDGNHUVJHR-UHFFFAOYSA-N 0 0 494.507 5.645 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022757644 555954393 /nfs/dbraw/zinc/95/43/93/555954393.db2.gz PDHIXABWHGBIKR-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN O=c1oc2ccccc2cc1C1=Nc2ccccc2S[C@@H](c2c3ccccc3cc3ccccc32)C1 ZINC000012360324 555957214 /nfs/dbraw/zinc/95/72/14/555957214.db2.gz PHTMIOQKPAPPOD-SSEXGKCCSA-N 0 0 483.592 8.457 40 5 JKBBRN CC(C)(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000012485525 555987313 /nfs/dbraw/zinc/98/73/13/555987313.db2.gz BJCCTOQITFVGFK-UHFFFAOYSA-N 0 0 477.362 6.089 40 5 JKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc32)c([N+](=O)[O-])c1 ZINC000012486802 555987994 /nfs/dbraw/zinc/98/79/94/555987994.db2.gz DMGVEUKJCCWLTK-UHFFFAOYSA-N 0 0 464.934 5.898 40 5 JKBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Br)c1OCc1ccccc1 ZINC000015791014 556007155 /nfs/dbraw/zinc/00/71/55/556007155.db2.gz DQCHLRCBKPRBGJ-UHFFFAOYSA-N 0 0 471.307 5.506 40 5 JKBBRN COc1cccc(-c2ccc(Cn3c(Cc4ccccc4)nc4ccc([N+](=O)[O-])cc4c3=O)cc2)c1 ZINC000012834095 556116435 /nfs/dbraw/zinc/11/64/35/556116435.db2.gz VTRDSXISXMFVQE-UHFFFAOYSA-N 0 0 477.520 5.619 40 5 JKBBRN O=C(/C=C/c1ccccc1)Nc1cc(Oc2ccc3oc4c(c3c2)CCCC4)cc([N+](=O)[O-])c1 ZINC000012844344 556117160 /nfs/dbraw/zinc/11/71/60/556117160.db2.gz UTXLMOGCGRHKAZ-JLHYYAGUSA-N 0 0 454.482 6.664 40 5 JKBBRN C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000012844615 556117520 /nfs/dbraw/zinc/11/75/20/556117520.db2.gz HINHXKDKGSJSKQ-NSHDSACASA-N 0 0 482.871 5.843 40 5 JKBBRN O=C1[C@@H](c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000012851007 556117781 /nfs/dbraw/zinc/11/77/81/556117781.db2.gz CACWZHSYVDZDDS-LAJGZZDBSA-N 0 0 493.519 6.025 40 5 JKBBRN Cc1c(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)cccc1-c1nc2cc(Cl)ccc2o1 ZINC000016185134 556127976 /nfs/dbraw/zinc/12/79/76/556127976.db2.gz MADNNFYKTIQPAU-FLIBITNWSA-N 0 0 492.944 5.891 40 5 JKBBRN Cc1cc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)ccc1Br ZINC000016282264 556132207 /nfs/dbraw/zinc/13/22/07/556132207.db2.gz WESDRDDTRAWHQE-BJMVGYQFSA-N 0 0 478.302 6.126 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1)C1c2ccccc2Oc2ccccc21 ZINC000024522319 556133324 /nfs/dbraw/zinc/13/33/24/556133324.db2.gz BLTINWHZVVAYNT-UHFFFAOYSA-N 0 0 487.895 7.022 40 5 JKBBRN COc1ccc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c([N+](=O)[O-])c1 ZINC000024522187 556133346 /nfs/dbraw/zinc/13/33/46/556133346.db2.gz QXMLGPHFDYBDQV-UHFFFAOYSA-N 0 0 480.432 6.174 40 5 JKBBRN O=C1c2cc3oc4ccccc4c4ccccc4oc3cc2C(=O)N1c1ccc(Br)cc1 ZINC000024522855 556133709 /nfs/dbraw/zinc/13/37/09/556133709.db2.gz WWPXBTFDZYCOMH-UHFFFAOYSA-N 0 0 484.305 7.020 40 5 JKBBRN Cc1ccc(N2C[C@@H](C(=O)OCc3ccc(Oc4ccc([N+](=O)[O-])cc4Cl)cc3)CC2=O)cc1 ZINC000016292918 556133811 /nfs/dbraw/zinc/13/38/11/556133811.db2.gz USEDSWUCQARZAV-SFHVURJKSA-N 0 0 480.904 5.445 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1nc2ccc(Cl)cc2s1 ZINC000016384227 556136637 /nfs/dbraw/zinc/13/66/37/556136637.db2.gz PLAHAHFQHWHFQR-QHHAFSJGSA-N 0 0 453.332 5.038 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(I)c1 ZINC000016399221 556137424 /nfs/dbraw/zinc/13/74/24/556137424.db2.gz VORUTSGDYNSKNT-UHFFFAOYSA-N 0 0 475.238 5.349 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000016428435 556138696 /nfs/dbraw/zinc/13/86/96/556138696.db2.gz SUGDKWMNUWBSRV-UHFFFAOYSA-N 0 0 460.277 6.190 40 5 JKBBRN O=C(OCc1ccc(I)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000016449413 556139360 /nfs/dbraw/zinc/13/93/60/556139360.db2.gz FAQDXUDLIOPDLK-UHFFFAOYSA-N 0 0 491.306 5.708 40 5 JKBBRN O=[N+]([O-])c1ccc([C@H]2N(c3ccccc3)N=C(c3ccccc3)N2c2ccc(Cl)cc2)cc1 ZINC000016478042 556140018 /nfs/dbraw/zinc/14/00/18/556140018.db2.gz TWXFHGWLUBQADO-AREMUKBSSA-N 0 0 454.917 6.635 40 5 JKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000016492649 556141187 /nfs/dbraw/zinc/14/11/87/556141187.db2.gz PQOIPPHIHYOVFT-UHFFFAOYSA-N 0 0 463.287 5.930 40 5 JKBBRN O=C(CSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000016492476 556141261 /nfs/dbraw/zinc/14/12/61/556141261.db2.gz MMXJQSQIQPWXHJ-UHFFFAOYSA-N 0 0 470.337 6.487 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016611160 556147408 /nfs/dbraw/zinc/14/74/08/556147408.db2.gz FXPOVZKWPPQCCB-OAHLLOKOSA-N 0 0 474.542 6.043 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611097 556147478 /nfs/dbraw/zinc/14/74/78/556147478.db2.gz FEXYFBCBNRJKCB-OAHLLOKOSA-N 0 0 488.569 6.352 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000016611261 556147947 /nfs/dbraw/zinc/14/79/47/556147947.db2.gz HBWWQHSXMWYJCJ-OAHLLOKOSA-N 0 0 474.542 6.043 40 5 JKBBRN CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)ccc3o2)cc1 ZINC000016691991 556153491 /nfs/dbraw/zinc/15/34/91/556153491.db2.gz GMSSSIXGVVOJFS-UHFFFAOYSA-N 0 0 476.514 5.237 40 5 JKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1nc2c(s1)CCCC2 ZINC000013086144 556285847 /nfs/dbraw/zinc/28/58/47/556285847.db2.gz SUWCCXNXCXEDQZ-UHFFFAOYSA-N 0 0 477.640 5.767 40 5 JKBBRN Cc1ccc(N2C(=O)[C@@H]3[C@H](c4c(F)cccc4Cl)N(c4cccc([N+](=O)[O-])c4)O[C@@H]3C2=O)c(C)c1 ZINC000018113642 556289237 /nfs/dbraw/zinc/28/92/37/556289237.db2.gz XRNUNXKWWYCCAH-VJBWXMMDSA-N 0 0 495.894 5.055 40 5 JKBBRN O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000018322437 556319256 /nfs/dbraw/zinc/31/92/56/556319256.db2.gz VIEKUDIJUOYQGJ-QURFURGYSA-N 0 0 452.554 6.637 40 5 JKBBRN CCCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000019075495 556327994 /nfs/dbraw/zinc/32/79/94/556327994.db2.gz XNRAVHVBOLVALA-UHFFFAOYSA-N 0 0 493.512 5.836 40 5 JKBBRN CCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000019075490 556328004 /nfs/dbraw/zinc/32/80/04/556328004.db2.gz OLZSMJYXJRSMGL-UHFFFAOYSA-N 0 0 465.458 5.056 40 5 JKBBRN Cc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)C1c1cccc([N+](=O)[O-])c1 ZINC000031772126 556402909 /nfs/dbraw/zinc/40/29/09/556402909.db2.gz DSJRXXZWWWCRNC-UHFFFAOYSA-N 0 0 496.567 5.724 40 5 JKBBRN Cc1ccccc1NC(=O)C1=C(C)NC(C)=C(C(=O)Nc2ccccc2C)C1c1ccc([N+](=O)[O-])cc1 ZINC000031829876 556408610 /nfs/dbraw/zinc/40/86/10/556408610.db2.gz JGCYPORZVOCZAD-UHFFFAOYSA-N 0 0 496.567 5.724 40 5 JKBBRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111938 556420867 /nfs/dbraw/zinc/42/08/67/556420867.db2.gz UQDIYDDOCCFOQY-UHFFFAOYSA-N 0 0 479.876 5.573 40 5 JKBBRN Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1[N+](=O)[O-] ZINC000032114525 556421086 /nfs/dbraw/zinc/42/10/86/556421086.db2.gz NUJKMWXIIJRICM-UHFFFAOYSA-N 0 0 459.458 5.228 40 5 JKBBRN Cc1cc(NC(=O)COc2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114714 556421325 /nfs/dbraw/zinc/42/13/25/556421325.db2.gz FAHXAVJLKUXIGF-UHFFFAOYSA-N 0 0 479.876 5.573 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000032114848 556421548 /nfs/dbraw/zinc/42/15/48/556421548.db2.gz RFTDFPJFRHBDGI-UHFFFAOYSA-N 0 0 474.763 5.495 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114786 556421595 /nfs/dbraw/zinc/42/15/95/556421595.db2.gz MUKRRYXYLYTFCS-UHFFFAOYSA-N 0 0 474.498 5.029 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 ZINC000032115316 556422470 /nfs/dbraw/zinc/42/24/70/556422470.db2.gz QFNVJUMQWXGPOW-QPJJXVBHSA-N 0 0 455.804 5.987 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115404 556422698 /nfs/dbraw/zinc/42/26/98/556422698.db2.gz LOSNIKZMOFAJQW-UHFFFAOYSA-N 0 0 488.525 5.337 40 5 JKBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000032124843 556428214 /nfs/dbraw/zinc/42/82/14/556428214.db2.gz HMDGJEVVONPLSH-MFOYZWKCSA-N 0 0 485.370 5.223 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000032125133 556428825 /nfs/dbraw/zinc/42/88/25/556428825.db2.gz JEUAGCMVNSWWCS-HNNXBMFYSA-N 0 0 493.947 7.221 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000032125451 556429790 /nfs/dbraw/zinc/42/97/90/556429790.db2.gz XLWQWTPLIRNOBJ-ZDUSSCGKSA-N 0 0 484.339 7.476 40 5 JKBBRN O=C(NC(=S)Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032126312 556430251 /nfs/dbraw/zinc/43/02/51/556430251.db2.gz IGILOALPBCGQRP-UHFFFAOYSA-N 0 0 493.353 5.898 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cc(-c3ccccc3)nc/c2=N\N(Cc2ccccc2)c2ccccc2)cc1 ZINC000032220673 556433673 /nfs/dbraw/zinc/43/36/73/556433673.db2.gz SDKUZVDMXWMLJN-OWWNRXNESA-N 0 0 473.536 5.970 40 5 JKBBRN COc1ccc([C@@H]2SC(=Cc3ccc([N+](=O)[O-])cc3)C(=O)N2N=c2[nH]c3ccccc3s2)cc1 ZINC000032597630 556449436 /nfs/dbraw/zinc/44/94/36/556449436.db2.gz LSLKQMRSFGRNGQ-CVGPFBNFSA-N 0 0 490.566 5.855 40 5 JKBBRN O=[N+]([O-])/C=C\c1cn(CCCCCCCCn2cc(/C=C\[N+](=O)[O-])c3ccccc32)c2ccccc12 ZINC000008651983 569592532 /nfs/dbraw/zinc/59/25/32/569592532.db2.gz AOHDCEYPGMZIKQ-IKBKFCNISA-N 0 0 486.572 7.132 40 5 JKBBRN Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cccc1-c1nc2ccccc2o1 ZINC000057313258 569596604 /nfs/dbraw/zinc/59/66/04/569596604.db2.gz YRLWOVZLMVLLNE-JQIJEIRASA-N 0 0 465.465 6.623 40 5 JKBBRN Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1 ZINC000057313243 569596608 /nfs/dbraw/zinc/59/66/08/569596608.db2.gz MVEXSPYOMSHLDJ-UKTHLTGXSA-N 0 0 499.910 7.277 40 5 JKBBRN CCOC(=O)c1c2c(sc1NC(=O)/C=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCCC2 ZINC000057313522 569596715 /nfs/dbraw/zinc/59/67/15/569596715.db2.gz WOXCUOJSPSYPQD-WYMLVPIESA-N 0 0 466.515 5.624 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1)c1cc2ccccc2o1 ZINC000057314122 569596857 /nfs/dbraw/zinc/59/68/57/569596857.db2.gz XTDUUJBYORALBM-UHFFFAOYSA-N 0 0 491.912 6.714 40 5 JKBBRN COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3)nc2c1 ZINC000057314185 569596973 /nfs/dbraw/zinc/59/69/73/569596973.db2.gz OTILYKALAYPHAI-NTCAYCPXSA-N 0 0 481.464 6.324 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br ZINC000057315815 569597220 /nfs/dbraw/zinc/59/72/20/569597220.db2.gz CNQZZGAXSZOBOU-DHZHZOJOSA-N 0 0 472.320 5.144 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)cc2[N+](=O)[O-])CC1 ZINC000057315934 569597332 /nfs/dbraw/zinc/59/73/32/569597332.db2.gz CQKABKOFZARSBE-UHFFFAOYSA-N 0 0 492.963 5.989 40 5 JKBBRN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)ccc2o1 ZINC000057315988 569597341 /nfs/dbraw/zinc/59/73/41/569597341.db2.gz GYQRHCFZLHSHEU-UHFFFAOYSA-N 0 0 470.529 6.200 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057316035 569597351 /nfs/dbraw/zinc/59/73/51/569597351.db2.gz WZBUFNMRUSKHBT-UHFFFAOYSA-N 0 0 468.762 6.753 40 5 JKBBRN Cc1cccc(-c2nc3cc(NC(=O)c4ccc(N5CCC(C)CC5)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000057316049 569597496 /nfs/dbraw/zinc/59/74/96/569597496.db2.gz VNCYFUAWXKRBBA-UHFFFAOYSA-N 0 0 470.529 6.200 40 5 JKBBRN Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)c1 ZINC000057316153 569597515 /nfs/dbraw/zinc/59/75/15/569597515.db2.gz OAHZTIALFJJUAS-JQIJEIRASA-N 0 0 467.481 6.067 40 5 JKBBRN Cc1nnc2sc(-c3ccccc3NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)nn12 ZINC000057316215 569597549 /nfs/dbraw/zinc/59/75/49/569597549.db2.gz XAPSHPZCADGHKB-UHFFFAOYSA-N 0 0 470.923 5.190 40 5 JKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000057317031 569598234 /nfs/dbraw/zinc/59/82/34/569598234.db2.gz NGGLVDOHHOONRR-UHFFFAOYSA-N 0 0 470.323 5.148 40 5 JKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000057317044 569598247 /nfs/dbraw/zinc/59/82/47/569598247.db2.gz KDIDRVDFSCASAG-UHFFFAOYSA-N 0 0 484.350 5.538 40 5 JKBBRN CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nn12 ZINC000057316992 569598257 /nfs/dbraw/zinc/59/82/57/569598257.db2.gz DTNXKVYUBSLSBF-ACCUITESSA-N 0 0 486.513 5.235 40 5 JKBBRN CC1CCN(c2ccc(C(=O)NCc3ccc(-c4ccc(Br)cc4)o3)cc2[N+](=O)[O-])CC1 ZINC000057317090 569598327 /nfs/dbraw/zinc/59/83/27/569598327.db2.gz QWFDRHFUJZLJMZ-UHFFFAOYSA-N 0 0 498.377 5.784 40 5 JKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000057317079 569598368 /nfs/dbraw/zinc/59/83/68/569598368.db2.gz DUVFFEVOMFCZAM-UHFFFAOYSA-N 0 0 467.275 5.807 40 5 JKBBRN CC1CCN(c2ccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)cc2Cl)CC1 ZINC000059294243 569602473 /nfs/dbraw/zinc/60/24/73/569602473.db2.gz LYLQSCROOIXNOH-UHFFFAOYSA-N 0 0 464.374 6.605 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294608 569602658 /nfs/dbraw/zinc/60/26/58/569602658.db2.gz JTDQHNMGIRGUSC-UHFFFAOYSA-N 0 0 467.865 6.663 40 5 JKBBRN Cc1cccc(C(=O)Nc2ccc(-c3cc(-c4ccccc4)c4c(ccc5ccccc54)n3)cc2)c1 ZINC000059417682 569602967 /nfs/dbraw/zinc/60/29/67/569602967.db2.gz HJTFBYDBJIGJAN-UHFFFAOYSA-N 0 0 464.568 8.283 40 5 JKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccc(Cl)cc4Cl)n3-c3ccccc3)c[nH]c2c1 ZINC000059459169 569604090 /nfs/dbraw/zinc/60/40/90/569604090.db2.gz LWJDESNEOANBHO-UHFFFAOYSA-N 0 0 496.379 6.923 40 5 JKBBRN COc1ccc(-c2nc(NC(=O)c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463626 569604322 /nfs/dbraw/zinc/60/43/22/569604322.db2.gz UKMXERBGCPGKBB-UHFFFAOYSA-N 0 0 476.470 5.554 40 5 JKBBRN Cc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463634 569604350 /nfs/dbraw/zinc/60/43/50/569604350.db2.gz CETUUDAVERXRGQ-UHFFFAOYSA-N 0 0 474.498 6.163 40 5 JKBBRN O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)sc2c1 ZINC000059474817 569604523 /nfs/dbraw/zinc/60/45/23/569604523.db2.gz WJYSTYUVDQNNGK-UHFFFAOYSA-N 0 0 492.582 5.507 40 5 JKBBRN CC1=NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000059482980 569604844 /nfs/dbraw/zinc/60/48/44/569604844.db2.gz PLVSDXYDRVMCDY-QHCPKHFHSA-N 0 0 474.502 5.444 40 5 JKBBRN CC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000059482990 569604859 /nfs/dbraw/zinc/60/48/59/569604859.db2.gz MZINCGZQTYLKQV-MUUNZHRXSA-N 0 0 491.576 6.565 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000059559229 569606876 /nfs/dbraw/zinc/60/68/76/569606876.db2.gz NQOAEVHTFWCYJY-MDWZMJQESA-N 0 0 476.964 5.222 40 5 JKBBRN C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000033413222 569626080 /nfs/dbraw/zinc/62/60/80/569626080.db2.gz QDQWZUNCJKZKOV-RMKNXTFCSA-N 0 0 475.520 5.722 40 5 JKBBRN C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccc(C)cc1)[N+](=O)[O-] ZINC000033636568 569629355 /nfs/dbraw/zinc/62/93/55/569629355.db2.gz NOVRRJZRMVLIQJ-YRNVUSSQSA-N 0 0 455.102 5.377 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2Cl)cc1 ZINC000033713376 569631450 /nfs/dbraw/zinc/63/14/50/569631450.db2.gz NVAKCSKQJFUGRT-UHFFFAOYSA-N 0 0 482.005 5.321 40 5 JKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 ZINC000033733604 569632611 /nfs/dbraw/zinc/63/26/11/569632611.db2.gz JOAQWCUVYLQVLW-SREVYHEPSA-N 0 0 463.259 5.551 40 5 JKBBRN CC(C)C[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc([N+](=O)[O-])cc2)n1C ZINC000033747488 569633427 /nfs/dbraw/zinc/63/34/27/569633427.db2.gz PUNZJXHBOPCVSE-IBGZPJMESA-N 0 0 473.986 5.186 40 5 JKBBRN O=C1[C@H](c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000033926909 569637755 /nfs/dbraw/zinc/63/77/55/569637755.db2.gz CACWZHSYVDZDDS-JUDWXZBOSA-N 0 0 493.519 6.025 40 5 JKBBRN O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000034880630 569668707 /nfs/dbraw/zinc/66/87/07/569668707.db2.gz TWFYCSBUUURGOJ-UHFFFAOYSA-N 0 0 484.965 5.625 40 5 JKBBRN O=C(Nc1ccc2nn(-c3cccc4ccccc43)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035074842 569674226 /nfs/dbraw/zinc/67/42/26/569674226.db2.gz RPVRSYYTRQJMJX-UHFFFAOYSA-N 0 0 475.464 5.994 40 5 JKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229348 569700674 /nfs/dbraw/zinc/70/06/74/569700674.db2.gz AIZNDLVENKOJSA-GFCCVEGCSA-N 0 0 452.736 5.642 40 5 JKBBRN CC1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229278 569700589 /nfs/dbraw/zinc/70/05/89/569700589.db2.gz ZWDUNTTWRBZRCC-UHFFFAOYSA-N 0 0 452.736 5.499 40 5 JKBBRN CCc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br ZINC000072228860 569700664 /nfs/dbraw/zinc/70/06/64/569700664.db2.gz MELRTADOLGYJDV-UHFFFAOYSA-N 0 0 486.160 5.317 40 5 JKBBRN Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)COc1c(C)cc(Br)cc1Br ZINC000072228859 569700665 /nfs/dbraw/zinc/70/06/65/569700665.db2.gz JPRBOCIJQDRRSJ-UHFFFAOYSA-N 0 0 472.133 5.063 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072230003 569700734 /nfs/dbraw/zinc/70/07/34/569700734.db2.gz WZGSSNHIBAHZRR-QHCPKHFHSA-N 0 0 451.910 5.182 40 5 JKBBRN O=Cc1cc(Br)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000035657390 569706083 /nfs/dbraw/zinc/70/60/83/569706083.db2.gz XQUVWXUTHBLLCO-UHFFFAOYSA-N 0 0 469.007 5.743 40 5 JKBBRN CCOC(OCC)c1ccc([C@@H]2N=C(c3ccccc3)[C@@H]3[C@H](c4ccc([N+](=O)[O-])cc4)N32)cc1 ZINC000095101143 569721735 /nfs/dbraw/zinc/72/17/35/569721735.db2.gz KGEYAYVLHDNGOM-KDFQGOFQSA-N 0 0 457.530 5.593 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000035955702 569736311 /nfs/dbraw/zinc/73/63/11/569736311.db2.gz QEKIEKMHKQUNFP-XVOBZGQLSA-N 0 0 499.592 5.030 40 5 JKBBRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000036007854 569747758 /nfs/dbraw/zinc/74/77/58/569747758.db2.gz UHPPXIHCOSIWHP-KYVQNOJUSA-N 0 0 482.923 5.672 40 5 JKBBRN O=[N+]([O-])c1ccc(Oc2cc(Oc3ccc([N+](=O)[O-])cc3)cc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000097956657 569747814 /nfs/dbraw/zinc/74/78/14/569747814.db2.gz DXYUVOVIDRJKFE-UHFFFAOYSA-N 0 0 489.396 6.788 40 5 JKBBRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000036020244 569750074 /nfs/dbraw/zinc/75/00/74/569750074.db2.gz MUSCJXZNWNRCOK-FPUALCIBSA-N 0 0 470.549 9.486 40 5 JKBBRN CC(C)[C@H]1CC[C@@H](C)C[C@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000036020242 569750106 /nfs/dbraw/zinc/75/01/06/569750106.db2.gz MUSCJXZNWNRCOK-OWDCXRFMSA-N 0 0 470.549 9.486 40 5 JKBBRN CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1CCc1cccc(OC)c1C(=O)OC ZINC000100032917 569751627 /nfs/dbraw/zinc/75/16/27/569751627.db2.gz WQHFVWSPYJVZBZ-UHFFFAOYSA-N 0 0 459.542 5.373 40 5 JKBBRN O=[N+]([O-])c1ccc(SCCCCCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100985204 569778604 /nfs/dbraw/zinc/77/86/04/569778604.db2.gz ZSJAEGLWXCUCKA-UHFFFAOYSA-N 0 0 482.496 5.764 40 5 JKBBRN Cc1ccc(-n2c(O)c3c(c2O)[C@@H](c2c4ccccc4cc4ccccc42)N(c2ccccc2)O3)cc1 ZINC000101101595 569782818 /nfs/dbraw/zinc/78/28/18/569782818.db2.gz JPCDTXWJEMQXSW-JBOQNHBVSA-N 0 0 484.555 6.353 40 5 JKBBRN Cc1ccc(Sc2nc(Nc3ccc([N+](=O)[O-])cc3)sc2Sc2ccc(C)cc2)cc1 ZINC000038335870 569801429 /nfs/dbraw/zinc/80/14/29/569801429.db2.gz IITMXILKCIMDQZ-UHFFFAOYSA-N 0 0 465.625 7.714 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000039750733 569811343 /nfs/dbraw/zinc/81/13/43/569811343.db2.gz CBFARTMKRCCAIU-AWNIVKPZSA-N 0 0 489.875 5.202 40 5 JKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2cccc3ccccc32)cc1 ZINC000039762953 569811576 /nfs/dbraw/zinc/81/15/76/569811576.db2.gz AZFVWUPNHDKIED-UHFFFAOYSA-N 0 0 479.452 5.303 40 5 JKBBRN O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000039762784 569811613 /nfs/dbraw/zinc/81/16/13/569811613.db2.gz JCWWKARWNNWZTC-ZHACJKMWSA-N 0 0 477.527 5.079 40 5 JKBBRN O=C1[C@@H]2[C@H](c3ccc(-c4ccc([N+](=O)[O-])cc4)s3)N(c3ccccc3)O[C@@H]2C(=O)N1c1ccccc1 ZINC000102723457 569817473 /nfs/dbraw/zinc/81/74/73/569817473.db2.gz YAGSEIQCOXLKEW-DSITVLBTSA-N 0 0 497.532 5.374 40 5 JKBBRN O=C1[C@H]2[C@H](ON(c3ccccc3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(F)cc1 ZINC000102741969 569819355 /nfs/dbraw/zinc/81/93/55/569819355.db2.gz KHIKRHXUAYKXPT-SDHSZQHLSA-N 0 0 499.454 5.045 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102761716 569822199 /nfs/dbraw/zinc/82/21/99/569822199.db2.gz DBBQJJJRVZFRHU-SDHOMARFSA-N 0 0 499.910 5.453 40 5 JKBBRN O=C1[C@@H]2[C@H](c3cc([N+](=O)[O-])ccc3Cl)N(c3ccccc3)O[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102761715 569822221 /nfs/dbraw/zinc/82/22/21/569822221.db2.gz DBBQJJJRVZFRHU-DSITVLBTSA-N 0 0 499.910 5.453 40 5 JKBBRN O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102761720 569822328 /nfs/dbraw/zinc/82/23/28/569822328.db2.gz DBBQJJJRVZFRHU-GVAUOCQISA-N 0 0 499.910 5.453 40 5 JKBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1ccccc1Cl ZINC000040398710 569825951 /nfs/dbraw/zinc/82/59/51/569825951.db2.gz YMNJOWZXBDMWIW-UHFFFAOYSA-N 0 0 482.754 5.709 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccccc1Br ZINC000106727924 569855227 /nfs/dbraw/zinc/85/52/27/569855227.db2.gz MPPCGGFRESWPKL-NVNXTCNLSA-N 0 0 453.701 5.247 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000106685904 569854602 /nfs/dbraw/zinc/85/46/02/569854602.db2.gz FUEGHCISJWWMLO-JAIQZWGSSA-N 0 0 470.890 5.753 40 5 JKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1F ZINC000106697144 569854748 /nfs/dbraw/zinc/85/47/48/569854748.db2.gz CSYRKDMWQSKPKQ-ODLFYWEKSA-N 0 0 451.435 5.158 40 5 JKBBRN COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000106697961 569854756 /nfs/dbraw/zinc/85/47/56/569854756.db2.gz RPJRMADCWMOUOM-QRVIBDJDSA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106699047 569854776 /nfs/dbraw/zinc/85/47/76/569854776.db2.gz YKCVQMXLNNVNDZ-TVPGTPATSA-N 0 0 478.140 6.445 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1 ZINC000106702916 569854834 /nfs/dbraw/zinc/85/48/34/569854834.db2.gz RVUNSQWTUYNPEX-UUYOSTAYSA-N 0 0 491.481 5.840 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000106705745 569854885 /nfs/dbraw/zinc/85/48/85/569854885.db2.gz NTZMRBBYHOQDTN-BKUYFWCQSA-N 0 0 477.498 5.336 40 5 JKBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106712197 569855031 /nfs/dbraw/zinc/85/50/31/569855031.db2.gz VGUQREIUSQFROZ-ODLFYWEKSA-N 0 0 474.325 5.929 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)o1 ZINC000106724478 569855137 /nfs/dbraw/zinc/85/51/37/569855137.db2.gz ATTIRPYXTCYYOV-JAIQZWGSSA-N 0 0 499.342 6.162 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc32)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728601 569855208 /nfs/dbraw/zinc/85/52/08/569855208.db2.gz NYNXGOCCHBQJPD-QQXSKIMKSA-N 0 0 496.544 6.564 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727429 569855246 /nfs/dbraw/zinc/85/52/46/569855246.db2.gz VDSLJHILHUCSLP-CFRMEGHHSA-N 0 0 487.512 5.973 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106735270 569855290 /nfs/dbraw/zinc/85/52/90/569855290.db2.gz JIDIDMKFSXWLPF-TVPGTPATSA-N 0 0 461.685 5.931 40 5 JKBBRN O=C1S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106741208 569855376 /nfs/dbraw/zinc/85/53/76/569855376.db2.gz ALFBQCIFBOXCQO-ODLFYWEKSA-N 0 0 457.870 5.415 40 5 JKBBRN O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745932 569855422 /nfs/dbraw/zinc/85/54/22/569855422.db2.gz UKULJVRAPPNXKM-OYKKKHCWSA-N 0 0 469.522 5.834 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C ZINC000107647649 569856837 /nfs/dbraw/zinc/85/68/37/569856837.db2.gz CKLYRPQFSVGNSO-LJQANCHMSA-N 0 0 473.986 5.279 40 5 JKBBRN O=C(Oc1c(Br)cc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000107982680 569858142 /nfs/dbraw/zinc/85/81/42/569858142.db2.gz OMSAFQJBFYAMIA-ONEGZZNKSA-N 0 0 495.938 5.985 40 5 JKBBRN COc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccc([N+](=O)[O-])cc4)sc3n2)cc1 ZINC000108605785 569859565 /nfs/dbraw/zinc/85/95/65/569859565.db2.gz NTSJHDDMBZVPPQ-UHFFFAOYSA-N 0 0 495.560 6.669 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 ZINC000113928929 569862290 /nfs/dbraw/zinc/86/22/90/569862290.db2.gz MVLNLIIZKQRFLL-MHZLTWQESA-N 0 0 494.507 5.864 40 5 JKBBRN C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]3(C)[C@H]1CC2 ZINC000118925233 569863741 /nfs/dbraw/zinc/86/37/41/569863741.db2.gz GILPMOAHSFSFMF-IXKNJLPQSA-N 0 0 468.550 6.381 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]([N+](=O)[O-])[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000123228998 569864269 /nfs/dbraw/zinc/86/42/69/569864269.db2.gz JQQAXXNZGKFEGG-FDXOKOSPSA-N 0 0 468.122 7.085 40 5 JKBBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)[C@H]([N+](=O)[O-])C[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000123235690 569864273 /nfs/dbraw/zinc/86/42/73/569864273.db2.gz LKHJDALEYCAKSL-OAQJTHNDSA-N 0 0 475.714 7.295 40 5 JKBBRN O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1cccc([N+](=O)[O-])c1 ZINC000138524389 569865882 /nfs/dbraw/zinc/86/58/82/569865882.db2.gz HRRDTPYGCKINRA-ACKJMCFBSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2C)cc1 ZINC000138685935 569866249 /nfs/dbraw/zinc/86/62/49/569866249.db2.gz OTHBHHSFHWAOKV-UHFFFAOYSA-N 0 0 469.497 5.531 40 5 JKBBRN O=C(Nc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000139074313 569867006 /nfs/dbraw/zinc/86/70/06/569867006.db2.gz YPDYVWCGSRFDAD-VGNMNXCYSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)c2C)cc1 ZINC000139123103 569867231 /nfs/dbraw/zinc/86/72/31/569867231.db2.gz QWGIXERHUUOMPT-UHFFFAOYSA-N 0 0 455.470 5.222 40 5 JKBBRN O=C(CSc1nc2ccccc2s1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000142929959 569867560 /nfs/dbraw/zinc/86/75/60/569867560.db2.gz MOSJVMPCMGEBEF-UHFFFAOYSA-N 0 0 453.570 6.087 40 5 JKBBRN O=c1/c(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)sc2nc3ccccc3n12 ZINC000169091618 569868123 /nfs/dbraw/zinc/86/81/23/569868123.db2.gz YVDOCMBJVSCORO-JAIQZWGSSA-N 0 0 498.347 5.251 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205698958 569874179 /nfs/dbraw/zinc/87/41/79/569874179.db2.gz MGDIMRBLFURNSL-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000205700773 569874199 /nfs/dbraw/zinc/87/41/99/569874199.db2.gz TZVXFJLUEOFLDW-RGVLZGJSSA-N 0 0 465.443 5.308 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(Cl)cc1 ZINC000210809466 569875982 /nfs/dbraw/zinc/87/59/82/569875982.db2.gz LZFGWXAIEAHAIU-OEAKJJBVSA-N 0 0 472.953 6.321 40 5 JKBBRN Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000210807545 569876032 /nfs/dbraw/zinc/87/60/32/569876032.db2.gz VGDFUAVGFNBWEQ-BUVRLJJBSA-N 0 0 452.535 5.976 40 5 JKBBRN COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)cc1 ZINC000210813206 569876048 /nfs/dbraw/zinc/87/60/48/569876048.db2.gz RUGFDGIWGJBQRE-BUVRLJJBSA-N 0 0 468.534 5.677 40 5 JKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 ZINC000214042015 569876222 /nfs/dbraw/zinc/87/62/22/569876222.db2.gz TYEUFEDLXYLFFK-CIAFOILYSA-N 0 0 477.454 5.532 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 ZINC000214081781 569876274 /nfs/dbraw/zinc/87/62/74/569876274.db2.gz ICUZCOOEZRRNNS-RGVLZGJSSA-N 0 0 470.890 5.753 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214181885 569876376 /nfs/dbraw/zinc/87/63/76/569876376.db2.gz ICRLPVZUTYRQEN-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214170683 569876387 /nfs/dbraw/zinc/87/63/87/569876387.db2.gz HVEJYIXRRRKGRP-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214136623 569876408 /nfs/dbraw/zinc/87/64/08/569876408.db2.gz LJNRYJKRZWKXMK-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(F)cc1 ZINC000214242867 569876485 /nfs/dbraw/zinc/87/64/85/569876485.db2.gz HZJAXEOTFWFKJG-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1F ZINC000214324999 569876539 /nfs/dbraw/zinc/87/65/39/569876539.db2.gz IATGTPGLPHXLDG-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214362121 569876614 /nfs/dbraw/zinc/87/66/14/569876614.db2.gz KIHUPSXPYOAMBP-RGVLZGJSSA-N 0 0 481.461 5.166 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1F ZINC000214358622 569876622 /nfs/dbraw/zinc/87/66/22/569876622.db2.gz NJPYSONDFYLWQO-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214406181 569876646 /nfs/dbraw/zinc/87/66/46/569876646.db2.gz NYXAFINRETXKBE-KEBDBYFISA-N 0 0 489.336 6.707 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)cc1 ZINC000214449808 569876714 /nfs/dbraw/zinc/87/67/14/569876714.db2.gz MLUBVGDNJLSMJS-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000214458953 569876722 /nfs/dbraw/zinc/87/67/22/569876722.db2.gz CVTOGORFXJDCBQ-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000214602480 569876736 /nfs/dbraw/zinc/87/67/36/569876736.db2.gz KTHPTFGGUIBVDE-WSDLNYQXSA-N 0 0 491.481 5.840 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)c1 ZINC000214609380 569876740 /nfs/dbraw/zinc/87/67/40/569876740.db2.gz JKEQZBLGKMBFMT-WSDLNYQXSA-N 0 0 491.481 5.840 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214787616 569876952 /nfs/dbraw/zinc/87/69/52/569876952.db2.gz ZOBYGHNYRGZYTA-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214814983 569876956 /nfs/dbraw/zinc/87/69/56/569876956.db2.gz RLFJYPLLBHKPPA-KEBDBYFISA-N 0 0 489.336 6.707 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214795216 569876961 /nfs/dbraw/zinc/87/69/61/569876961.db2.gz PMTGXBBOJCUGKI-KEBDBYFISA-N 0 0 489.336 6.707 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214895539 569877002 /nfs/dbraw/zinc/87/70/02/569877002.db2.gz FTMCUMJBFGESAA-RGVLZGJSSA-N 0 0 499.342 6.162 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc5ccccc54)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214842545 569877018 /nfs/dbraw/zinc/87/70/18/569877018.db2.gz AVWVTBIKLDKQEL-ZVHZXABRSA-N 0 0 486.505 6.253 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1cccc2ccccc21 ZINC000214948967 569877068 /nfs/dbraw/zinc/87/70/68/569877068.db2.gz WFODGUACVNFVPG-WGOQTCKBSA-N 0 0 496.544 6.564 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1O[C@@H](C)CC ZINC000215010142 569877125 /nfs/dbraw/zinc/87/71/25/569877125.db2.gz NJECNARPVLGTHV-PCXKXAPESA-N 0 0 456.520 5.407 40 5 JKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc([N+](=O)[O-])c1C ZINC000215028834 569877126 /nfs/dbraw/zinc/87/71/26/569877126.db2.gz CGFGOAKIICCTQP-SRZZPIQSSA-N 0 0 479.470 5.616 40 5 JKBBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 ZINC000214987565 569877129 /nfs/dbraw/zinc/87/71/29/569877129.db2.gz FSRGCTVWDQDWFS-FYJGNVAPSA-N 0 0 478.482 5.268 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1Br ZINC000215092955 569877149 /nfs/dbraw/zinc/87/71/49/569877149.db2.gz VCFVIBLZRXORBV-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Br)C3=O)o2)c([N+](=O)[O-])c1 ZINC000215056767 569877184 /nfs/dbraw/zinc/87/71/84/569877184.db2.gz JSVIQWAHRHNFFF-RGVLZGJSSA-N 0 0 499.342 6.162 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215254586 569877259 /nfs/dbraw/zinc/87/72/59/569877259.db2.gz ZKHAYTPQLUVJGT-LPYMAVHISA-N 0 0 464.474 5.549 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000215245616 569877295 /nfs/dbraw/zinc/87/72/95/569877295.db2.gz JQWRLAHUXLDIFN-XQNSMLJCSA-N 0 0 476.510 5.289 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1c(F)cccc1Cl ZINC000215280982 569877330 /nfs/dbraw/zinc/87/73/30/569877330.db2.gz XBOQPYRFTDTVCL-DJKKODMXSA-N 0 0 493.299 6.537 40 5 JKBBRN CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 ZINC000222716260 569889414 /nfs/dbraw/zinc/88/94/14/569889414.db2.gz GIUAJPMCSYTDJS-JQOQJDEVSA-N 0 0 450.520 5.238 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223119045 569899943 /nfs/dbraw/zinc/89/99/43/569899943.db2.gz VTVCNVXSPCEKSZ-BJKOFHAPSA-N 0 0 478.574 5.564 40 5 JKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223316907 569907247 /nfs/dbraw/zinc/90/72/47/569907247.db2.gz KADRWVQONTWITR-OAQYLSRUSA-N 0 0 492.041 5.204 40 5 JKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223316849 569907271 /nfs/dbraw/zinc/90/72/71/569907271.db2.gz KADRWVQONTWITR-NRFANRHFSA-N 0 0 492.041 5.204 40 5 JKBBRN CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223320832 569907405 /nfs/dbraw/zinc/90/74/05/569907405.db2.gz QXHJMBPTBVCNBY-WXVAWEFUSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223403358 569910036 /nfs/dbraw/zinc/91/00/36/569910036.db2.gz IVBFWPNYAXUHGV-LOSJGSFVSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)o1 ZINC000223403255 569910047 /nfs/dbraw/zinc/91/00/47/569910047.db2.gz IVBFWPNYAXUHGV-JWQCQUIFSA-N 0 0 486.553 5.431 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 ZINC000223406878 569910169 /nfs/dbraw/zinc/91/01/69/569910169.db2.gz CFUVXHXCTQPFDQ-BJKOFHAPSA-N 0 0 456.527 5.423 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223433420 569911258 /nfs/dbraw/zinc/91/12/58/569911258.db2.gz YJDLXXSJXAJMPE-AJTFRIOCSA-N 0 0 487.600 5.001 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223446032 569911586 /nfs/dbraw/zinc/91/15/86/569911586.db2.gz GMZYFTCXYNFXGF-LOSJGSFVSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223445984 569911601 /nfs/dbraw/zinc/91/16/01/569911601.db2.gz GMZYFTCXYNFXGF-RPBOFIJWSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223446155 569911622 /nfs/dbraw/zinc/91/16/22/569911622.db2.gz FNQASHCNXUWEIF-DQEYMECFSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223446080 569911631 /nfs/dbraw/zinc/91/16/31/569911631.db2.gz GMZYFTCXYNFXGF-JWQCQUIFSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223446321 569911641 /nfs/dbraw/zinc/91/16/41/569911641.db2.gz FNQASHCNXUWEIF-JWQCQUIFSA-N 0 0 486.553 5.431 40 5 JKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223452150 569911791 /nfs/dbraw/zinc/91/17/91/569911791.db2.gz XSJTZNKLQFTOTC-IBGZPJMESA-N 0 0 480.392 5.166 40 5 JKBBRN CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223499284 569913660 /nfs/dbraw/zinc/91/36/60/569913660.db2.gz OBVJXRAMKRIPEK-LJQANCHMSA-N 0 0 480.392 5.166 40 5 JKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223499224 569913691 /nfs/dbraw/zinc/91/36/91/569913691.db2.gz OBVJXRAMKRIPEK-IBGZPJMESA-N 0 0 480.392 5.166 40 5 JKBBRN CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223543878 569915395 /nfs/dbraw/zinc/91/53/95/569915395.db2.gz MBVTVLOUHXSSEJ-IBGZPJMESA-N 0 0 480.392 5.166 40 5 JKBBRN CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000223749484 569922053 /nfs/dbraw/zinc/92/20/53/569922053.db2.gz VGGGQVBGCVYVCL-JOCHJYFZSA-N 0 0 492.041 5.205 40 5 JKBBRN COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223782800 569923208 /nfs/dbraw/zinc/92/32/08/569923208.db2.gz OPUCXQPATCPDGN-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000223830162 569924563 /nfs/dbraw/zinc/92/45/63/569924563.db2.gz HGPALJHWEJRCRU-LOSJGSFVSA-N 0 0 485.569 5.356 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223841235 569924868 /nfs/dbraw/zinc/92/48/68/569924868.db2.gz ROGYTNZJJMSZNA-DQEYMECFSA-N 0 0 486.553 5.826 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223841663 569924903 /nfs/dbraw/zinc/92/49/03/569924903.db2.gz DWKUNRHONIEVBR-JWQCQUIFSA-N 0 0 486.553 5.826 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223880877 569926108 /nfs/dbraw/zinc/92/61/08/569926108.db2.gz VQCYRGUTTFWNHL-PKTZIBPZSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881184 569926117 /nfs/dbraw/zinc/92/61/17/569926117.db2.gz XLPRHRMBLZTBNF-XZOQPEGZSA-N 0 0 458.499 5.133 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223918340 569927245 /nfs/dbraw/zinc/92/72/45/569927245.db2.gz IBDVVYJPLGBIKJ-JWQCQUIFSA-N 0 0 485.569 5.493 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223918287 569927260 /nfs/dbraw/zinc/92/72/60/569927260.db2.gz IBDVVYJPLGBIKJ-LOSJGSFVSA-N 0 0 485.569 5.493 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223989941 569929637 /nfs/dbraw/zinc/92/96/37/569929637.db2.gz GHVXCBOFWQEPBW-RPBOFIJWSA-N 0 0 499.552 5.385 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223997936 569929870 /nfs/dbraw/zinc/92/98/70/569929870.db2.gz DZWXDGJSYPPNNT-JWQCQUIFSA-N 0 0 499.552 5.385 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223998011 569929903 /nfs/dbraw/zinc/92/99/03/569929903.db2.gz DQBUQQFDGTZMDF-DQEYMECFSA-N 0 0 499.552 5.385 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)c1 ZINC000224036921 569931430 /nfs/dbraw/zinc/93/14/30/569931430.db2.gz LWVMJCQZYHKVGR-RPWUZVMVSA-N 0 0 486.509 5.156 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 ZINC000224037165 569931452 /nfs/dbraw/zinc/93/14/52/569931452.db2.gz QTALHFGZEVBEKP-RPWUZVMVSA-N 0 0 486.509 5.156 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc4c(c3)OCO4)o2)cc1 ZINC000224037108 569931457 /nfs/dbraw/zinc/93/14/57/569931457.db2.gz QTALHFGZEVBEKP-DNQXCXABSA-N 0 0 486.509 5.156 40 5 JKBBRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224157251 569934823 /nfs/dbraw/zinc/93/48/23/569934823.db2.gz WWKZDRWQWAXICI-XMMPIXPASA-N 0 0 483.634 5.003 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224185092 569935640 /nfs/dbraw/zinc/93/56/40/569935640.db2.gz PENFXJBLQVLKAB-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C ZINC000224196909 569936066 /nfs/dbraw/zinc/93/60/66/569936066.db2.gz RIBAFUCCGRISNP-SANMLTNESA-N 0 0 487.600 5.001 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000224213199 569936747 /nfs/dbraw/zinc/93/67/47/569936747.db2.gz JJCBYBWLUWAYKA-RPWUZVMVSA-N 0 0 455.543 5.266 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224215463 569936806 /nfs/dbraw/zinc/93/68/06/569936806.db2.gz ZVFUAJNQHHVJDY-ZEQRLZLVSA-N 0 0 456.527 5.735 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)o1 ZINC000224218748 569936951 /nfs/dbraw/zinc/93/69/51/569936951.db2.gz BLKGSFTYAPIOCW-JWQCQUIFSA-N 0 0 486.553 5.744 40 5 JKBBRN Cc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 ZINC000224228975 569937230 /nfs/dbraw/zinc/93/72/30/569937230.db2.gz WJLYPZQEUHWMEQ-SANMLTNESA-N 0 0 487.600 5.001 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224247949 569938018 /nfs/dbraw/zinc/93/80/18/569938018.db2.gz CWLMVSGLKKBFSB-ZEQRLZLVSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224254691 569938223 /nfs/dbraw/zinc/93/82/23/569938223.db2.gz XHDPJYUSXLJISX-DNQXCXABSA-N 0 0 456.527 5.735 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000224278440 569939038 /nfs/dbraw/zinc/93/90/38/569939038.db2.gz COODTFVAJXJTDQ-DQEYMECFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1C ZINC000224278697 569939040 /nfs/dbraw/zinc/93/90/40/569939040.db2.gz AYNZWEIUJWPMOS-LOSJGSFVSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000224278568 569939061 /nfs/dbraw/zinc/93/90/61/569939061.db2.gz COODTFVAJXJTDQ-JWQCQUIFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1C ZINC000224278484 569939078 /nfs/dbraw/zinc/93/90/78/569939078.db2.gz COODTFVAJXJTDQ-RPBOFIJWSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1C ZINC000224280934 569939171 /nfs/dbraw/zinc/93/91/71/569939171.db2.gz JTNGBWNXIIYFGK-JWQCQUIFSA-N 0 0 470.554 6.044 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224313146 569940081 /nfs/dbraw/zinc/94/00/81/569940081.db2.gz MCBNOXOFFGSRNE-DQEYMECFSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)c1 ZINC000224313197 569940086 /nfs/dbraw/zinc/94/00/86/569940086.db2.gz MCBNOXOFFGSRNE-RPBOFIJWSA-N 0 0 469.570 5.574 40 5 JKBBRN Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 ZINC000224322302 569940513 /nfs/dbraw/zinc/94/05/13/569940513.db2.gz ZBKDHPOZKUOPTF-RPBOFIJWSA-N 0 0 470.554 6.044 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224345690 569941329 /nfs/dbraw/zinc/94/13/29/569941329.db2.gz KTHDXBZXYUHAHS-RPBOFIJWSA-N 0 0 469.570 5.520 40 5 JKBBRN CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224354629 569941711 /nfs/dbraw/zinc/94/17/11/569941711.db2.gz ANQAHXJPDVQWOH-RPBOFIJWSA-N 0 0 470.554 5.989 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000224380357 569942600 /nfs/dbraw/zinc/94/26/00/569942600.db2.gz MMOKTWKZURPYQM-UIOOFZCWSA-N 0 0 484.581 6.550 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000224386932 569942873 /nfs/dbraw/zinc/94/28/73/569942873.db2.gz AECILSYTIXBVES-UIOOFZCWSA-N 0 0 484.581 6.550 40 5 JKBBRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224396348 569943181 /nfs/dbraw/zinc/94/31/81/569943181.db2.gz YEYCFHLSDHOWPQ-HXUWFJFHSA-N 0 0 498.432 5.078 40 5 JKBBRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224411408 569943792 /nfs/dbraw/zinc/94/37/92/569943792.db2.gz FFPFBANLKWGVAP-NRFANRHFSA-N 0 0 492.403 5.310 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 ZINC000224412069 569943823 /nfs/dbraw/zinc/94/38/23/569943823.db2.gz XJNYBLAIYLFYDM-GOTSBHOMSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)c1 ZINC000224451796 569944952 /nfs/dbraw/zinc/94/49/52/569944952.db2.gz RACSCUPHXNYNFJ-XZOQPEGZSA-N 0 0 460.490 5.566 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 ZINC000224482585 569945864 /nfs/dbraw/zinc/94/58/64/569945864.db2.gz NCRIPZPOVUDLAS-DHIUTWEWSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 ZINC000224482652 569945871 /nfs/dbraw/zinc/94/58/71/569945871.db2.gz NCRIPZPOVUDLAS-XZOQPEGZSA-N 0 0 476.945 6.080 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)c1 ZINC000224482487 569945889 /nfs/dbraw/zinc/94/58/89/569945889.db2.gz LCIBJRSBXOMSRL-XZOQPEGZSA-N 0 0 476.945 6.080 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224515810 569946981 /nfs/dbraw/zinc/94/69/81/569946981.db2.gz ZROWFRIXLYAKTE-UHFFFAOYSA-N 0 0 462.546 6.431 40 5 JKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000224545631 569947868 /nfs/dbraw/zinc/94/78/68/569947868.db2.gz GBVPRKCHWVJARF-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000224552532 569948163 /nfs/dbraw/zinc/94/81/63/569948163.db2.gz ILJUWMAOWNVLKS-DNQXCXABSA-N 0 0 472.526 5.436 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(-c2ccccc2)cc1 ZINC000224559987 569948433 /nfs/dbraw/zinc/94/84/33/569948433.db2.gz VMSLVSDNBKJWKQ-UHFFFAOYSA-N 0 0 482.536 6.800 40 5 JKBBRN COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000224581107 569949425 /nfs/dbraw/zinc/94/94/25/569949425.db2.gz ARGKCSMDZUYZMR-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000224581056 569949437 /nfs/dbraw/zinc/94/94/37/569949437.db2.gz ARGKCSMDZUYZMR-RPWUZVMVSA-N 0 0 472.526 5.436 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1 ZINC000224760649 569956460 /nfs/dbraw/zinc/95/64/60/569956460.db2.gz VSQBFGHTARQQHE-XZOQPEGZSA-N 0 0 490.635 6.380 40 5 JKBBRN O=[N+]([O-])c1ccc(Sc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1 ZINC000224760602 569956483 /nfs/dbraw/zinc/95/64/83/569956483.db2.gz VSQBFGHTARQQHE-PKTZIBPZSA-N 0 0 490.635 6.380 40 5 JKBBRN Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000224780041 569957293 /nfs/dbraw/zinc/95/72/93/569957293.db2.gz YDTBNWQNCIHLDZ-BJKOFHAPSA-N 0 0 487.610 5.657 40 5 JKBBRN Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224790177 569957695 /nfs/dbraw/zinc/95/76/95/569957695.db2.gz PNZXEEQEETUBCA-DNQXCXABSA-N 0 0 487.610 5.657 40 5 JKBBRN Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000224790311 569957733 /nfs/dbraw/zinc/95/77/33/569957733.db2.gz PNZXEEQEETUBCA-ZEQRLZLVSA-N 0 0 487.610 5.657 40 5 JKBBRN Cc1ccccc1CN(C(=O)Cc1ccccc1[N+](=O)[O-])[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 ZINC000224792593 569957835 /nfs/dbraw/zinc/95/78/35/569957835.db2.gz WRUUBASAWIQFJM-NDEPHWFRSA-N 0 0 499.611 5.145 40 5 JKBBRN CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224847995 569960244 /nfs/dbraw/zinc/96/02/44/569960244.db2.gz DBIPONLFWWUTRW-FQEVSTJZSA-N 0 0 480.392 5.024 40 5 JKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 ZINC000224879054 569961526 /nfs/dbraw/zinc/96/15/26/569961526.db2.gz ILDRYYWQAOJYQP-PKTZIBPZSA-N 0 0 491.960 5.317 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3cc(Cl)ccc3O)o2)cc1 ZINC000224887390 569961929 /nfs/dbraw/zinc/96/19/29/569961929.db2.gz BALQOEMNPSHEND-PKTZIBPZSA-N 0 0 492.944 5.786 40 5 JKBBRN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F ZINC000224916756 569963303 /nfs/dbraw/zinc/96/33/03/569963303.db2.gz IUJUNNAEZSIYKP-RPWUZVMVSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1F ZINC000224916795 569963314 /nfs/dbraw/zinc/96/33/14/569963314.db2.gz IUJUNNAEZSIYKP-BJKOFHAPSA-N 0 0 474.517 5.874 40 5 JKBBRN Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cccc1[N+](=O)[O-] ZINC000224946921 569964450 /nfs/dbraw/zinc/96/44/50/569964450.db2.gz YFFXMSYBNYQBIT-UHFFFAOYSA-N 0 0 478.302 6.240 40 5 JKBBRN CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000224947436 569964488 /nfs/dbraw/zinc/96/44/88/569964488.db2.gz AYJXPNQDLKAAKN-HNNXBMFYSA-N 0 0 498.432 5.078 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 ZINC000224956087 569965068 /nfs/dbraw/zinc/96/50/68/569965068.db2.gz JJSLTYGVCPFMAU-UHFFFAOYSA-N 0 0 478.302 6.240 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1F ZINC000408603017 569969749 /nfs/dbraw/zinc/96/97/49/569969749.db2.gz AHHQNQSNYFQSBY-UHFFFAOYSA-N 0 0 461.287 5.696 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(I)c1OCc1ccccc1 ZINC000408604076 569970201 /nfs/dbraw/zinc/97/02/01/569970201.db2.gz DGWICGBGIVFWER-UHFFFAOYSA-N 0 0 490.297 5.399 40 5 JKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000408607232 569971343 /nfs/dbraw/zinc/97/13/43/569971343.db2.gz KCQABIPNTLJDIK-UHFFFAOYSA-N 0 0 490.343 5.848 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000408608033 569971637 /nfs/dbraw/zinc/97/16/37/569971637.db2.gz MBLWDVVAQSWBNN-UHFFFAOYSA-N 0 0 477.395 6.325 40 5 JKBBRN COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408608217 569971757 /nfs/dbraw/zinc/97/17/57/569971757.db2.gz KXFDHIOVWXNSTR-UHFFFAOYSA-N 0 0 457.324 5.865 40 5 JKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408609845 569972246 /nfs/dbraw/zinc/97/22/46/569972246.db2.gz PBVMZOQQJZVORJ-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)o1 ZINC000225055408 569972298 /nfs/dbraw/zinc/97/22/98/569972298.db2.gz KLQOVDLNVAPPGI-IZZNHLLZSA-N 0 0 499.596 5.725 40 5 JKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 ZINC000408613558 569973406 /nfs/dbraw/zinc/97/34/06/569973406.db2.gz YBJGSDMQFSHRGN-UHFFFAOYSA-N 0 0 457.324 5.947 40 5 JKBBRN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000408617346 569976160 /nfs/dbraw/zinc/97/61/60/569976160.db2.gz CQOFPOIPIIUTBO-UHFFFAOYSA-N 0 0 493.463 5.284 40 5 JKBBRN O=C(Nc1ccccc1I)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408620185 569977667 /nfs/dbraw/zinc/97/76/67/569977667.db2.gz KXMJXGCYAJZCMR-UHFFFAOYSA-N 0 0 468.634 5.365 40 5 JKBBRN O=C(Nc1cccc(I)c1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408622565 569978846 /nfs/dbraw/zinc/97/88/46/569978846.db2.gz RFAMNLFJSHQIBA-UHFFFAOYSA-N 0 0 468.634 5.365 40 5 JKBBRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 ZINC000408638384 569987832 /nfs/dbraw/zinc/98/78/32/569987832.db2.gz CAQINDQZQJYDPB-HNNXBMFYSA-N 0 0 451.866 5.032 40 5 JKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225290942 569988611 /nfs/dbraw/zinc/98/86/11/569988611.db2.gz WAXCCNJWVDDGEC-HHHXNRCGSA-N 0 0 487.600 5.002 40 5 JKBBRN Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1C ZINC000408640005 569988651 /nfs/dbraw/zinc/98/86/51/569988651.db2.gz HUSZCNXWQLZREM-LJQANCHMSA-N 0 0 459.502 5.304 40 5 JKBBRN Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)c1 ZINC000408640302 569988852 /nfs/dbraw/zinc/98/88/52/569988852.db2.gz IRLNBGBCSHWKGM-FQEVSTJZSA-N 0 0 487.556 6.119 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c([N+](=O)[O-])c4)C3)cc2)cc1C ZINC000408641201 569989241 /nfs/dbraw/zinc/98/92/41/569989241.db2.gz LBUWGZXPNSQEQE-LJQANCHMSA-N 0 0 459.502 5.304 40 5 JKBBRN CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)cc2)cc1 ZINC000408642328 569989721 /nfs/dbraw/zinc/98/97/21/569989721.db2.gz OAVVGNBNJBEJFD-GOSISDBHSA-N 0 0 473.529 5.676 40 5 JKBBRN CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225315977 569990037 /nfs/dbraw/zinc/99/00/37/569990037.db2.gz RRKPCWMNFJNOCS-HHHXNRCGSA-N 0 0 487.600 5.002 40 5 JKBBRN Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000408644892 569990982 /nfs/dbraw/zinc/99/09/82/569990982.db2.gz IRVUHRGYUPJVEW-UHFFFAOYSA-N 0 0 459.433 5.053 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O ZINC000408646168 569991767 /nfs/dbraw/zinc/99/17/67/569991767.db2.gz VSGILTSKDDXKSJ-FQEVSTJZSA-N 0 0 497.507 5.541 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O ZINC000408647149 569992234 /nfs/dbraw/zinc/99/22/34/569992234.db2.gz WLJXSNMGSPAEPE-GOSISDBHSA-N 0 0 475.501 5.004 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225352964 569992350 /nfs/dbraw/zinc/99/23/50/569992350.db2.gz KKWJOPIUFCYVDR-CLJLJLNGSA-N 0 0 499.596 5.745 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000225352747 569992354 /nfs/dbraw/zinc/99/23/54/569992354.db2.gz AQUOMLPFICGHDD-FTJBHMTQSA-N 0 0 499.596 5.745 40 5 JKBBRN CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000225352899 569992367 /nfs/dbraw/zinc/99/23/67/569992367.db2.gz KKWJOPIUFCYVDR-FTJBHMTQSA-N 0 0 499.596 5.745 40 5 JKBBRN CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225353984 569992483 /nfs/dbraw/zinc/99/24/83/569992483.db2.gz KNTMNHXMWBSXQS-RUZDIDTESA-N 0 0 497.661 5.127 40 5 JKBBRN C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 ZINC000408658927 569999313 /nfs/dbraw/zinc/99/93/13/569999313.db2.gz VGNCVYFHMOGWCZ-OXJNMPFZSA-N 0 0 492.915 5.083 40 5 JKBBRN C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccc(Cl)cc1 ZINC000408658931 569999319 /nfs/dbraw/zinc/99/93/19/569999319.db2.gz VGNCVYFHMOGWCZ-UZLBHIALSA-N 0 0 492.915 5.083 40 5 JKBBRN Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] ZINC000408659336 569999476 /nfs/dbraw/zinc/99/94/76/569999476.db2.gz KTOPUOIXFGBOBM-LJQANCHMSA-N 0 0 458.514 5.188 40 5 JKBBRN Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1 ZINC000408667544 570005440 /nfs/dbraw/zinc/00/54/40/570005440.db2.gz BKIZUDDPZZHMPF-UHFFFAOYSA-N 0 0 467.481 6.200 40 5 JKBBRN Cc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000408669575 570006619 /nfs/dbraw/zinc/00/66/19/570006619.db2.gz WWMJHBRWMYKLGT-WSCWJOSJSA-N 0 0 496.560 5.316 40 5 JKBBRN O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21)Nc1cccc([N+](=O)[O-])c1 ZINC000408670475 570007120 /nfs/dbraw/zinc/00/71/20/570007120.db2.gz QHKSACWNBLZWMD-UHFFFAOYSA-N 0 0 461.861 5.259 40 5 JKBBRN O=C(Nc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408672677 570008337 /nfs/dbraw/zinc/00/83/37/570008337.db2.gz OOZUNJFKYLWVES-UHFFFAOYSA-N 0 0 453.454 5.892 40 5 JKBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Cl)ccc1OC ZINC000408674986 570009829 /nfs/dbraw/zinc/00/98/29/570009829.db2.gz OESPNYZPFYRXBX-UHFFFAOYSA-N 0 0 467.334 5.164 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225616217 570009924 /nfs/dbraw/zinc/00/99/24/570009924.db2.gz LNTHZLGCWRNOAK-VGSWGCGISA-N 0 0 492.041 5.204 40 5 JKBBRN CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)c3)C(=O)[C@@H]2C1 ZINC000408675476 570010235 /nfs/dbraw/zinc/01/02/35/570010235.db2.gz AWGNSTPVQPUERU-LOSJGSFVSA-N 0 0 481.508 5.360 40 5 JKBBRN CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408677668 570010939 /nfs/dbraw/zinc/01/09/39/570010939.db2.gz DXWDLROCFFQEKG-LOSJGSFVSA-N 0 0 481.508 5.360 40 5 JKBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@H]2C1 ZINC000408677669 570010943 /nfs/dbraw/zinc/01/09/43/570010943.db2.gz DXWDLROCFFQEKG-RPBOFIJWSA-N 0 0 481.508 5.360 40 5 JKBBRN CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(-c5ccc([N+](=O)[O-])cc5)cc4)cc3)C(=O)[C@@H]2C1 ZINC000408677667 570010957 /nfs/dbraw/zinc/01/09/57/570010957.db2.gz DXWDLROCFFQEKG-JWQCQUIFSA-N 0 0 481.508 5.360 40 5 JKBBRN CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 ZINC000225633123 570011093 /nfs/dbraw/zinc/01/10/93/570011093.db2.gz KAVVUSRDVVJMID-HNNXBMFYSA-N 0 0 498.432 5.077 40 5 JKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000408681744 570012695 /nfs/dbraw/zinc/01/26/95/570012695.db2.gz INYWEVVTJAHMHZ-QFIPXVFZSA-N 0 0 478.353 5.998 40 5 JKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCC(C)C ZINC000225677213 570014075 /nfs/dbraw/zinc/01/40/75/570014075.db2.gz VEONUTUJMROCIO-UHFFFAOYSA-N 0 0 454.523 5.257 40 5 JKBBRN O=C(Nc1ccccc1C(=O)N1[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000408686773 570014177 /nfs/dbraw/zinc/01/41/77/570014177.db2.gz SUAMGBQQIMPRGO-VGNMNXCYSA-N 0 0 491.503 5.296 40 5 JKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)c(Cl)c2)c1 ZINC000408693603 570016286 /nfs/dbraw/zinc/01/62/86/570016286.db2.gz AUOSGBPTWLRYLJ-UHFFFAOYSA-N 0 0 468.300 5.710 40 5 JKBBRN CC[C@@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000225726205 570018156 /nfs/dbraw/zinc/01/81/56/570018156.db2.gz LBGZDRSCKVKESQ-QRWLVFNGSA-N 0 0 480.392 5.166 40 5 JKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1O[C@@H](C)CC ZINC000225757227 570020427 /nfs/dbraw/zinc/02/04/27/570020427.db2.gz AOLDYDGWKVPOLR-SFHVURJKSA-N 0 0 468.550 5.789 40 5 JKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1O[C@H](C)CC ZINC000225757262 570020436 /nfs/dbraw/zinc/02/04/36/570020436.db2.gz AOLDYDGWKVPOLR-GOSISDBHSA-N 0 0 468.550 5.789 40 5 JKBBRN COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408724746 570027888 /nfs/dbraw/zinc/02/78/88/570027888.db2.gz AIYZLBWDFQJGQR-MTJSOVHGSA-N 0 0 493.453 5.545 40 5 JKBBRN O=C(N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000408736410 570030492 /nfs/dbraw/zinc/03/04/92/570030492.db2.gz BTICZRKZHFLEEZ-AREMUKBSSA-N 0 0 479.536 5.093 40 5 JKBBRN CC(C)c1ccccc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 ZINC000408736761 570030528 /nfs/dbraw/zinc/03/05/28/570030528.db2.gz HESQADPMGYPLNW-DEOSSOPVSA-N 0 0 461.518 5.194 40 5 JKBBRN CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C(=O)[C@@H]12 ZINC000408752775 570034805 /nfs/dbraw/zinc/03/48/05/570034805.db2.gz GTSFDIVUDZWNDA-IXWSDTCWSA-N 0 0 486.527 5.833 40 5 JKBBRN CCOc1ccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)cc1 ZINC000408755281 570035286 /nfs/dbraw/zinc/03/52/86/570035286.db2.gz CUEPWFWDFLBOOI-UHFFFAOYSA-N 0 0 487.899 6.344 40 5 JKBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc2ccccc2c1 ZINC000408755812 570035453 /nfs/dbraw/zinc/03/54/53/570035453.db2.gz FTUNKFCGHRHQGI-UHFFFAOYSA-N 0 0 493.906 7.099 40 5 JKBBRN O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(O)cc1 ZINC000408757297 570035764 /nfs/dbraw/zinc/03/57/64/570035764.db2.gz LTEZKYAIHRFGDU-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN Cc1cccc(N2C(=O)c3cccc4c(Nc5cccc(Cl)c5)c([N+](=O)[O-])cc(c34)C2=O)c1C ZINC000408758190 570036096 /nfs/dbraw/zinc/03/60/96/570036096.db2.gz WQEKXLFLVJCSNE-UHFFFAOYSA-N 0 0 471.900 6.562 40 5 JKBBRN O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1O ZINC000408757872 570036109 /nfs/dbraw/zinc/03/61/09/570036109.db2.gz RBJWSTWIQYCNFC-UHFFFAOYSA-N 0 0 459.845 5.651 40 5 JKBBRN Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1[N+](=O)[O-] ZINC000226630186 570038135 /nfs/dbraw/zinc/03/81/35/570038135.db2.gz OPUIDKILAPUACF-STPMEKMUSA-N 0 0 462.505 5.327 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)S2)cc1 ZINC000408778221 570040646 /nfs/dbraw/zinc/04/06/46/570040646.db2.gz RDYLTVCKQJMHSC-RWTNITNYSA-N 0 0 492.513 5.457 40 5 JKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000408777793 570040702 /nfs/dbraw/zinc/04/07/02/570040702.db2.gz JDMMDSYVIBPFAZ-GJFKPFFXSA-N 0 0 461.543 5.336 40 5 JKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1 ZINC000408779423 570041027 /nfs/dbraw/zinc/04/10/27/570041027.db2.gz DTSDRJJFDZUDSW-VZIOXZNFSA-N 0 0 451.504 5.025 40 5 JKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1 ZINC000408786728 570043280 /nfs/dbraw/zinc/04/32/80/570043280.db2.gz VPMXSRNKIYQADX-LWUPDDLQSA-N 0 0 461.543 5.336 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3\SC(Nc4cc(Cl)ccc4OC)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408800316 570045315 /nfs/dbraw/zinc/04/53/15/570045315.db2.gz LVAAUVZTEFAQQB-UHFFFAOYSA-N 0 0 486.913 5.288 40 5 JKBBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1Nc1ccccc1 ZINC000408801658 570045834 /nfs/dbraw/zinc/04/58/34/570045834.db2.gz WRFQPQSYHMTHNS-NDDKWJIQSA-N 0 0 488.589 6.909 40 5 JKBBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000408803000 570046318 /nfs/dbraw/zinc/04/63/18/570046318.db2.gz KFWAZUYQRUUANU-UHFFFAOYSA-N 0 0 491.332 5.933 40 5 JKBBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)S1 ZINC000408806421 570047735 /nfs/dbraw/zinc/04/77/35/570047735.db2.gz DVJTUHXNQXKHEA-UHFFFAOYSA-N 0 0 496.952 5.599 40 5 JKBBRN CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408809780 570048811 /nfs/dbraw/zinc/04/88/11/570048811.db2.gz JBCKRLNSKZFUIZ-YVLHZVERSA-N 0 0 493.335 5.001 40 5 JKBBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 ZINC000408818225 570051177 /nfs/dbraw/zinc/05/11/77/570051177.db2.gz UVURKWCVCCKXPY-UHFFFAOYSA-N 0 0 450.496 5.243 40 5 JKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc1 ZINC000408821209 570051954 /nfs/dbraw/zinc/05/19/54/570051954.db2.gz DRWJOWVATDUJDW-UHFFFAOYSA-N 0 0 459.527 6.263 40 5 JKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccc3[N+](=O)[O-])nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408822259 570052146 /nfs/dbraw/zinc/05/21/46/570052146.db2.gz AUPGXQPVGIFZGA-UHFFFAOYSA-N 0 0 460.471 5.854 40 5 JKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 ZINC000408827039 570052450 /nfs/dbraw/zinc/05/24/50/570052450.db2.gz KDLCWPSPDVIQQU-UHFFFAOYSA-N 0 0 491.572 7.156 40 5 JKBBRN COc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408829273 570052571 /nfs/dbraw/zinc/05/25/71/570052571.db2.gz FHXGOEYUWRXQGR-UHFFFAOYSA-N 0 0 489.597 6.549 40 5 JKBBRN Cc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408833994 570052876 /nfs/dbraw/zinc/05/28/76/570052876.db2.gz SOKFZJVZCJULDC-UHFFFAOYSA-N 0 0 494.370 6.709 40 5 JKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl ZINC000408834609 570053001 /nfs/dbraw/zinc/05/30/01/570053001.db2.gz WPZNUCBUVKLDAE-UHFFFAOYSA-N 0 0 470.337 6.944 40 5 JKBBRN Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408835747 570053158 /nfs/dbraw/zinc/05/31/58/570053158.db2.gz XYOXMHKPJSRTRV-UHFFFAOYSA-N 0 0 460.471 5.854 40 5 JKBBRN O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1c2ccccc2cc2ccccc21 ZINC000408838227 570053323 /nfs/dbraw/zinc/05/33/23/570053323.db2.gz CWMHSHSYHLFCLE-FYJGNVAPSA-N 0 0 474.368 7.859 40 5 JKBBRN O=C(Oc1ccccc1/C=C1/N=C(c2sc3cc([N+](=O)[O-])ccc3c2Cl)OC1=O)c1ccco1 ZINC000408849451 570055147 /nfs/dbraw/zinc/05/51/47/570055147.db2.gz YSFLHQAOHIVRJK-XNTDXEJSSA-N 0 0 494.868 5.620 40 5 JKBBRN O=C1OC(c2sc3cc([N+](=O)[O-])ccc3c2Cl)=N/C1=C/c1cccc(Br)c1 ZINC000408848990 570055173 /nfs/dbraw/zinc/05/51/73/570055173.db2.gz XPDIRLDCZXWWNG-NTUHNPAUSA-N 0 0 463.696 5.570 40 5 JKBBRN O=C1S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C(=O)N1c1ccccc1 ZINC000408903446 570069991 /nfs/dbraw/zinc/06/99/91/570069991.db2.gz YAJKNLZKFOJTBD-PCLIKHOPSA-N 0 0 482.517 6.568 40 5 JKBBRN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1[N+](=O)[O-] ZINC000408906566 570070795 /nfs/dbraw/zinc/07/07/95/570070795.db2.gz HLYFXHBSPUPXAK-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408906821 570071017 /nfs/dbraw/zinc/07/10/17/570071017.db2.gz IOTBXDLHQQUVJH-XQNSMLJCSA-N 0 0 452.963 5.838 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408917340 570075714 /nfs/dbraw/zinc/07/57/14/570075714.db2.gz RJZVVEMYIQTWEM-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408919025 570076381 /nfs/dbraw/zinc/07/63/81/570076381.db2.gz RSKVFQMTYGOORE-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@H]12 ZINC000408919637 570076652 /nfs/dbraw/zinc/07/66/52/570076652.db2.gz ZLVBFZBJBQIABB-GMMLXXJASA-N 0 0 452.510 5.172 40 5 JKBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(C)c(C)cc3[N+](=O)[O-])C(=O)[C@@H]12 ZINC000408919640 570076670 /nfs/dbraw/zinc/07/66/70/570076670.db2.gz ZLVBFZBJBQIABB-QDBPJBAASA-N 0 0 452.510 5.172 40 5 JKBBRN Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000408923988 570078048 /nfs/dbraw/zinc/07/80/48/570078048.db2.gz IWCPGCDOMQFYRG-MDWZMJQESA-N 0 0 471.922 5.009 40 5 JKBBRN O=C1N/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000408931523 570080163 /nfs/dbraw/zinc/08/01/63/570080163.db2.gz MSEOBUPDJPQQDC-ZDLGFXPLSA-N 0 0 458.257 5.255 40 5 JKBBRN COc1ccc(N(C)C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408973419 570089224 /nfs/dbraw/zinc/08/92/24/570089224.db2.gz ARLUUFVCKRRUCD-UHFFFAOYSA-N 0 0 476.565 5.721 40 5 JKBBRN 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CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c([N+](=O)[O-])c3)cs2)nnc1-c1ccc(C)cc1 ZINC000409170337 570154721 /nfs/dbraw/zinc/15/47/21/570154721.db2.gz UWRAEYRYVDCXFL-UHFFFAOYSA-N 0 0 494.602 5.344 40 5 JKBBRN Cc1cccc(C)c1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000409173930 570155972 /nfs/dbraw/zinc/15/59/72/570155972.db2.gz PPQHAZANEKNUPK-AREMUKBSSA-N 0 0 460.486 5.098 40 5 JKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000409174274 570156184 /nfs/dbraw/zinc/15/61/84/570156184.db2.gz QNIGDSBWWDWHCE-FYJGNVAPSA-N 0 0 477.498 5.092 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409174647 570156299 /nfs/dbraw/zinc/15/62/99/570156299.db2.gz WKELNASJJBGIIO-RGVLZGJSSA-N 0 0 497.916 5.492 40 5 JKBBRN Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000409174815 570156431 /nfs/dbraw/zinc/15/64/31/570156431.db2.gz PEFRPWMHYLUPOY-WSDLNYQXSA-N 0 0 491.525 5.455 40 5 JKBBRN 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Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C ZINC000409177055 570157235 /nfs/dbraw/zinc/15/72/35/570157235.db2.gz BUJVZYHGSUUTHP-AREMUKBSSA-N 0 0 460.486 5.098 40 5 JKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Br)cc2)nc2ccccc21 ZINC000409176914 570157305 /nfs/dbraw/zinc/15/73/05/570157305.db2.gz ATOAKRHSXDWLAN-UHFFFAOYSA-N 0 0 463.287 5.930 40 5 JKBBRN Cc1cccc(OCc2ccc(C(=O)OCc3cccc(Oc4ccc([N+](=O)[O-])cc4)c3)cc2)c1 ZINC000409177272 570157414 /nfs/dbraw/zinc/15/74/14/570157414.db2.gz GKSBEZYTRZLBPN-UHFFFAOYSA-N 0 0 469.493 6.632 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000409177611 570157596 /nfs/dbraw/zinc/15/75/96/570157596.db2.gz COIORBURDRMQNA-DQEYMECFSA-N 0 0 498.491 5.200 40 5 JKBBRN Cc1c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409178543 570158022 /nfs/dbraw/zinc/15/80/22/570158022.db2.gz MKMSRUFMIZBNMJ-OAQYLSRUSA-N 0 0 454.822 5.246 40 5 JKBBRN 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O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000409181916 570159656 /nfs/dbraw/zinc/15/96/56/570159656.db2.gz GRAKWHFATOWTJB-DEOSSOPVSA-N 0 0 466.877 5.134 40 5 JKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000409182132 570159682 /nfs/dbraw/zinc/15/96/82/570159682.db2.gz JJWIPFTZWGCUQV-FQEVSTJZSA-N 0 0 485.246 5.047 40 5 JKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409182361 570159807 /nfs/dbraw/zinc/15/98/07/570159807.db2.gz KIPGZCAUMWBSDL-UHFFFAOYSA-N 0 0 471.252 5.059 40 5 JKBBRN O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000409182518 570159826 /nfs/dbraw/zinc/15/98/26/570159826.db2.gz MBAVORPPYDHUPA-UHFFFAOYSA-N 0 0 466.298 5.091 40 5 JKBBRN COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000409182610 570159947 /nfs/dbraw/zinc/15/99/47/570159947.db2.gz NDPNIOLLWMXZJK-MHZLTWQESA-N 0 0 490.512 5.106 40 5 JKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1c2ccccc2nc2c1CCCC2 ZINC000409183022 570160112 /nfs/dbraw/zinc/16/01/12/570160112.db2.gz RLCMZTDHYBNILZ-UHFFFAOYSA-N 0 0 454.482 6.171 40 5 JKBBRN Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000409183959 570160303 /nfs/dbraw/zinc/16/03/03/570160303.db2.gz VGSRDCUYFAPRTB-UHFFFAOYSA-N 0 0 468.893 5.811 40 5 JKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409183862 570160314 /nfs/dbraw/zinc/16/03/14/570160314.db2.gz VUDGUDPYAMDXMF-AREMUKBSSA-N 0 0 487.895 6.822 40 5 JKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2)cc1 ZINC000409184379 570160434 /nfs/dbraw/zinc/16/04/34/570160434.db2.gz XULPXGLGGHSLRQ-UHFFFAOYSA-N 0 0 487.533 5.931 40 5 JKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O ZINC000409188609 570161176 /nfs/dbraw/zinc/16/11/76/570161176.db2.gz FMGSCQJLOYASFS-JTHDKOFASA-N 0 0 474.856 5.212 40 5 JKBBRN CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000409191164 570161946 /nfs/dbraw/zinc/16/19/46/570161946.db2.gz UBVAFYODKKBLBE-VXAIQDGOSA-N 0 0 498.491 5.265 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191810 570162249 /nfs/dbraw/zinc/16/22/49/570162249.db2.gz NVADCRFZTJJLFL-VCHYOVAHSA-N 0 0 461.282 6.403 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O ZINC000409192984 570162662 /nfs/dbraw/zinc/16/26/62/570162662.db2.gz HSWDAVXROBIQDJ-WBDHZMATSA-N 0 0 474.856 5.212 40 5 JKBBRN Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)S3)cc1 ZINC000409195200 570163292 /nfs/dbraw/zinc/16/32/92/570163292.db2.gz NMTBRMGVCKKWKD-HSZRJFAPSA-N 0 0 457.515 5.173 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409196869 570163800 /nfs/dbraw/zinc/16/38/00/570163800.db2.gz ZLUJSUODMBJWPL-WSDLNYQXSA-N 0 0 496.928 6.077 40 5 JKBBRN 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O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409205474 570167000 /nfs/dbraw/zinc/16/70/00/570167000.db2.gz NOEWDHRFAHELBQ-UHFFFAOYSA-N 0 0 472.155 7.400 40 5 JKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000409206988 570167477 /nfs/dbraw/zinc/16/74/77/570167477.db2.gz YBGQHDPNENTARV-UHFFFAOYSA-N 0 0 482.161 6.855 40 5 JKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2C)cc1 ZINC000409206999 570167484 /nfs/dbraw/zinc/16/74/84/570167484.db2.gz YFZNXCRJLWAGBV-LCUIJRPUSA-N 0 0 463.946 6.032 40 5 JKBBRN CCOc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409207580 570167787 /nfs/dbraw/zinc/16/77/87/570167787.db2.gz XYENZMLPNPWHDZ-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c(C)c1 ZINC000409208551 570168225 /nfs/dbraw/zinc/16/82/25/570168225.db2.gz GSHQJDYCNVMKQZ-WSDLNYQXSA-N 0 0 491.525 5.455 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409208766 570168364 /nfs/dbraw/zinc/16/83/64/570168364.db2.gz DEUXGPJSDMMVAR-KGENOOAVSA-N 0 0 477.498 5.070 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409209619 570168884 /nfs/dbraw/zinc/16/88/84/570168884.db2.gz GVRKDCRUUVUUQA-SSDVNMTOSA-N 0 0 496.928 6.077 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409211048 570169847 /nfs/dbraw/zinc/16/98/47/570169847.db2.gz MBTAPUYBRFWOLR-BUVRLJJBSA-N 0 0 490.537 5.461 40 5 JKBBRN O=C1S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1CCc1ccccc1 ZINC000409211348 570169893 /nfs/dbraw/zinc/16/98/93/570169893.db2.gz LOTLTVOUIOHYEF-HYARGMPZSA-N 0 0 491.481 5.574 40 5 JKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)cc1 ZINC000409211416 570169920 /nfs/dbraw/zinc/16/99/20/570169920.db2.gz JBEAQXGEVDFBPV-IUXPMGMMSA-N 0 0 480.329 5.139 40 5 JKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1CCc1ccccc1 ZINC000409214352 570171664 /nfs/dbraw/zinc/17/16/64/570171664.db2.gz USQGXYKMESCAPU-XQNSMLJCSA-N 0 0 460.511 5.453 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409216346 570172686 /nfs/dbraw/zinc/17/26/86/570172686.db2.gz KBARHGLMUZGSGR-CIAFOILYSA-N 0 0 466.902 6.068 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)Nc4ccccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409216501 570172827 /nfs/dbraw/zinc/17/28/27/570172827.db2.gz IOJAIWFKNPVHBL-CIAFOILYSA-N 0 0 477.498 5.147 40 5 JKBBRN O=C(CN1C(=O)SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)c1ccccc1 ZINC000409223606 570175268 /nfs/dbraw/zinc/17/52/68/570175268.db2.gz HCAQFOMMQVCZQB-OEAKJJBVSA-N 0 0 474.494 5.093 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(F)c(Cl)c1 ZINC000409223802 570175418 /nfs/dbraw/zinc/17/54/18/570175418.db2.gz IBUIRXHRJRDLFW-YDZHTSKRSA-N 0 0 490.943 6.461 40 5 JKBBRN O=C1N/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000409235677 570179634 /nfs/dbraw/zinc/17/96/34/570179634.db2.gz PQVRESAFVBZKTJ-XDHOZWIPSA-N 0 0 483.402 5.499 40 5 JKBBRN Cc1c(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)(C)C)n2)cccc1[N+](=O)[O-] ZINC000328989144 570180843 /nfs/dbraw/zinc/18/08/43/570180843.db2.gz IJDKKLPJULAGEK-UHFFFAOYSA-N 0 0 461.444 6.213 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000409238828 570181009 /nfs/dbraw/zinc/18/10/09/570181009.db2.gz MBIDMHAXPYQCLA-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=[N+]([O-])c1cccc(CNc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC3CCCCC3)n2)c1 ZINC000329002258 570181100 /nfs/dbraw/zinc/18/11/00/570181100.db2.gz KHDARGJHFBCIFS-UHFFFAOYSA-N 0 0 487.482 5.151 40 5 JKBBRN Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)C2=O)c1 ZINC000409241610 570182106 /nfs/dbraw/zinc/18/21/06/570182106.db2.gz KIWILRQDFASRLK-UDWIEESQSA-N 0 0 497.429 5.807 40 5 JKBBRN CC(C)(C)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329023955 570182167 /nfs/dbraw/zinc/18/21/67/570182167.db2.gz OXEZZKQJHZKIGY-UHFFFAOYSA-N 0 0 465.407 6.044 40 5 JKBBRN CC[C@H](C)Nc1nc(Nc2cccc([N+](=O)[O-])c2C)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329062919 570183394 /nfs/dbraw/zinc/18/33/94/570183394.db2.gz XAPPSJZLFSKTPH-ZDUSSCGKSA-N 0 0 461.444 5.057 40 5 JKBBRN O=C1N/C(=C/c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C(=O)N1Cc1ccccc1 ZINC000409246305 570184256 /nfs/dbraw/zinc/18/42/56/570184256.db2.gz APZMLSLPJKXVLR-CIAFOILYSA-N 0 0 498.322 5.574 40 5 JKBBRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409249309 570185333 /nfs/dbraw/zinc/18/53/33/570185333.db2.gz HGUGTAMGQAMXMH-UHFFFAOYSA-N 0 0 491.525 5.469 40 5 JKBBRN CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409258228 570187283 /nfs/dbraw/zinc/18/72/83/570187283.db2.gz XCVNRQKKSGGVLP-UHFFFAOYSA-N 0 0 477.542 5.829 40 5 JKBBRN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)CCSc1ccc([N+](=O)[O-])cc1Cl ZINC000408529693 570187414 /nfs/dbraw/zinc/18/74/14/570187414.db2.gz NTFHKKZLWBFLOT-UHFFFAOYSA-N 0 0 478.961 6.288 40 5 JKBBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000409261557 570187606 /nfs/dbraw/zinc/18/76/06/570187606.db2.gz CZVFHUIJAUSUGB-UHFFFAOYSA-N 0 0 463.515 5.439 40 5 JKBBRN O=c1[nH]c(-c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)nc2sc3c(c21)CCCC3 ZINC000409264139 570188029 /nfs/dbraw/zinc/18/80/29/570188029.db2.gz PDBLTOXGXRMZBA-UHFFFAOYSA-N 0 0 456.527 5.854 40 5 JKBBRN O=c1[nH]c(-c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)nc2ccccc12 ZINC000409270526 570189140 /nfs/dbraw/zinc/18/91/40/570189140.db2.gz QKDIMTGATZNDRV-UHFFFAOYSA-N 0 0 452.264 5.252 40 5 JKBBRN Cc1c(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000409272896 570189408 /nfs/dbraw/zinc/18/94/08/570189408.db2.gz UDVWEIDDMIUWFW-UHFFFAOYSA-N 0 0 494.356 5.044 40 5 JKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408540976 570191513 /nfs/dbraw/zinc/19/15/13/570191513.db2.gz AIIGUDOKTYXXKI-YVMONPNESA-N 0 0 456.367 5.069 40 5 JKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408544946 570192664 /nfs/dbraw/zinc/19/26/64/570192664.db2.gz WGNKHWNQAOMRCS-YVMONPNESA-N 0 0 479.714 6.065 40 5 JKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1OC ZINC000408547171 570193636 /nfs/dbraw/zinc/19/36/36/570193636.db2.gz SUMAXUKDKYMVFG-UHFFFAOYSA-N 0 0 465.409 5.052 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1Cl ZINC000408554432 570196209 /nfs/dbraw/zinc/19/62/09/570196209.db2.gz CSPBOKSTYWEILV-UHFFFAOYSA-N 0 0 491.769 6.601 40 5 JKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc32)c1 ZINC000408555539 570196870 /nfs/dbraw/zinc/19/68/70/570196870.db2.gz GITXOLNUPJHAMZ-UHFFFAOYSA-N 0 0 463.331 6.702 40 5 JKBBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)cc1Cl ZINC000408555670 570196948 /nfs/dbraw/zinc/19/69/48/570196948.db2.gz HCUSMEUJUSKFEH-UHFFFAOYSA-N 0 0 460.317 5.840 40 5 JKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000408557335 570198156 /nfs/dbraw/zinc/19/81/56/570198156.db2.gz MSXLKEXKEZZFFQ-UHFFFAOYSA-N 0 0 469.925 5.585 40 5 JKBBRN Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)cc1Cl ZINC000408557399 570198188 /nfs/dbraw/zinc/19/81/88/570198188.db2.gz NEYPZIQBKFRFKX-UHFFFAOYSA-N 0 0 460.317 5.840 40 5 JKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1cccc(F)c1 ZINC000408559787 570200001 /nfs/dbraw/zinc/20/00/01/570200001.db2.gz WPBXHWAYCFNBPU-UHFFFAOYSA-N 0 0 461.287 5.696 40 5 JKBBRN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1 ZINC000408560053 570200277 /nfs/dbraw/zinc/20/02/77/570200277.db2.gz ZUXZOOZYXRVOGO-UHFFFAOYSA-N 0 0 489.937 5.008 40 5 JKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)cc1 ZINC000408560612 570200474 /nfs/dbraw/zinc/20/04/74/570200474.db2.gz DPZVJZROOGXLSI-ATJXCDBQSA-N 0 0 450.347 5.755 40 5 JKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561268 570200942 /nfs/dbraw/zinc/20/09/42/570200942.db2.gz HJAGOUWTDGJJBB-ATJXCDBQSA-N 0 0 495.344 5.663 40 5 JKBBRN CCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408561547 570201167 /nfs/dbraw/zinc/20/11/67/570201167.db2.gz JKZAYZDEDAEUIS-ATJXCDBQSA-N 0 0 450.347 5.755 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408562116 570201457 /nfs/dbraw/zinc/20/14/57/570201457.db2.gz MUFPFLSUGHMNLV-BZZOAKBMSA-N 0 0 457.983 6.109 40 5 JKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 ZINC000408562453 570201725 /nfs/dbraw/zinc/20/17/25/570201725.db2.gz PQVANFHCVPHYTQ-DAFNUICNSA-N 0 0 498.819 6.799 40 5 JKBBRN Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000408563204 570202072 /nfs/dbraw/zinc/20/20/72/570202072.db2.gz KDVAGCGQZSHBGM-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408564474 570202606 /nfs/dbraw/zinc/20/26/06/570202606.db2.gz DDMNBCGEEMQPKF-DVKBMCPXSA-N 0 0 498.366 5.094 40 5 JKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408564589 570202746 /nfs/dbraw/zinc/20/27/46/570202746.db2.gz ZUFURHSOYJMNRR-XDOYNYLZSA-N 0 0 460.899 5.010 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccccc1 ZINC000408564792 570202748 /nfs/dbraw/zinc/20/27/48/570202748.db2.gz AHAKCGYPYHWNKG-HSZRJFAPSA-N 0 0 480.977 5.918 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccccc1 ZINC000408564794 570202803 /nfs/dbraw/zinc/20/28/03/570202803.db2.gz AHIPWUGFRCHNMF-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccccc1 ZINC000408564793 570202816 /nfs/dbraw/zinc/20/28/16/570202816.db2.gz AHAKCGYPYHWNKG-QHCPKHFHSA-N 0 0 480.977 5.918 40 5 JKBBRN Cc1ccc(COc2ccc(Br)cc2[C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000408564816 570202878 /nfs/dbraw/zinc/20/28/78/570202878.db2.gz AJYTVVXRXJGSBC-QFIPXVFZSA-N 0 0 465.347 6.226 40 5 JKBBRN Cc1ccc(COc2ccc(Br)cc2[C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1 ZINC000408564811 570202909 /nfs/dbraw/zinc/20/29/09/570202909.db2.gz AJYTVVXRXJGSBC-JOCHJYFZSA-N 0 0 465.347 6.226 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1cccc(F)c1 ZINC000408564884 570202927 /nfs/dbraw/zinc/20/29/27/570202927.db2.gz AQNHEUUKUNIZAQ-FQEVSTJZSA-N 0 0 499.336 6.066 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(F)cc1 ZINC000408564985 570202953 /nfs/dbraw/zinc/20/29/53/570202953.db2.gz AWJVEMSRKYAYPM-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)cc1 ZINC000408565119 570203033 /nfs/dbraw/zinc/20/30/33/570203033.db2.gz BFUTWTPOJCOXGT-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1cccc(C)c1 ZINC000408565238 570203231 /nfs/dbraw/zinc/20/32/31/570203231.db2.gz BKSRCURFGSTAMN-XMMPIXPASA-N 0 0 460.559 5.573 40 5 JKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1cccc(F)c1 ZINC000408565283 570203233 /nfs/dbraw/zinc/20/32/33/570203233.db2.gz BNSVQGDNIOCDTG-NRFANRHFSA-N 0 0 468.912 6.347 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408565721 570203512 /nfs/dbraw/zinc/20/35/12/570203512.db2.gz CXELEHBALJNHRE-RUZDIDTESA-N 0 0 492.576 6.021 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408566035 570203653 /nfs/dbraw/zinc/20/36/53/570203653.db2.gz DPHHDATXJJDNAI-LJQANCHMSA-N 0 0 459.304 6.601 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1ccc(C)cc1 ZINC000408566245 570203730 /nfs/dbraw/zinc/20/37/30/570203730.db2.gz FDQXTAYYOOIYAT-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1[N+](=O)[O-] ZINC000409330173 570203815 /nfs/dbraw/zinc/20/38/15/570203815.db2.gz JXMXSNOFEFXAPN-MHZLTWQESA-N 0 0 465.509 5.969 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)c(Cl)c2)n1-c1ccccc1 ZINC000408567070 570203906 /nfs/dbraw/zinc/20/39/06/570203906.db2.gz GGQKWOIUEGGFCR-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000408568091 570204125 /nfs/dbraw/zinc/20/41/25/570204125.db2.gz HPSSHQMNVZGLAT-HXUWFJFHSA-N 0 0 496.317 5.826 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccccc1 ZINC000408569077 570204236 /nfs/dbraw/zinc/20/42/36/570204236.db2.gz IRJRGZPLUYAFHK-HSZRJFAPSA-N 0 0 480.977 5.918 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1 ZINC000408569070 570204273 /nfs/dbraw/zinc/20/42/73/570204273.db2.gz IPHNILGDYLZWBV-OAQYLSRUSA-N 0 0 495.373 6.317 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 ZINC000408569358 570204370 /nfs/dbraw/zinc/20/43/70/570204370.db2.gz VVVAEURPYQOLKK-FMNCTDSISA-N 0 0 498.366 5.094 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000408569523 570204377 /nfs/dbraw/zinc/20/43/77/570204377.db2.gz JKBWRQCWHRIMKA-FQEVSTJZSA-N 0 0 496.317 5.826 40 5 JKBBRN CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 ZINC000408569356 570204419 /nfs/dbraw/zinc/20/44/19/570204419.db2.gz VVVAEURPYQOLKK-DPQOWFAMSA-N 0 0 498.366 5.094 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1cccc(C)c1 ZINC000408569580 570204438 /nfs/dbraw/zinc/20/44/38/570204438.db2.gz JQUJYZCNCZMYMB-VWLOTQADSA-N 0 0 474.586 5.882 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Cl)c(OCC)c(Cl)c2)cc1 ZINC000408569847 570204444 /nfs/dbraw/zinc/20/44/44/570204444.db2.gz JYLSZANLHRSYAZ-LJQANCHMSA-N 0 0 497.404 5.790 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408570675 570204607 /nfs/dbraw/zinc/20/46/07/570204607.db2.gz LVCYSORLECJMGS-XMMPIXPASA-N 0 0 476.558 5.273 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(F)cc2)n1-c1cccc(C)c1 ZINC000408571153 570204649 /nfs/dbraw/zinc/20/46/49/570204649.db2.gz NWRRJXAHGVQNTF-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Br ZINC000408571164 570204651 /nfs/dbraw/zinc/20/46/51/570204651.db2.gz NYNOALISHWOAML-QGZVFWFLSA-N 0 0 483.775 5.110 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccccc1 ZINC000408571125 570204659 /nfs/dbraw/zinc/20/46/59/570204659.db2.gz NRXBKDAWJZTFLN-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Cl)c1OCc1ccccc1F ZINC000408571378 570204735 /nfs/dbraw/zinc/20/47/35/570204735.db2.gz ONYLQQZHDSOLQA-LJQANCHMSA-N 0 0 454.885 5.957 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccccc1 ZINC000408571332 570204763 /nfs/dbraw/zinc/20/47/63/570204763.db2.gz OJLVOUIQJLTLPR-XMMPIXPASA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(Cl)cc3)cc2)n1-c1ccc(C)cc1 ZINC000408571924 570204848 /nfs/dbraw/zinc/20/48/48/570204848.db2.gz PXBWICNVPDUQKH-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)cc1 ZINC000408571955 570204858 /nfs/dbraw/zinc/20/48/58/570204858.db2.gz QBMROLMQFNOAHL-DEOSSOPVSA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1cccc(C)c1 ZINC000408571910 570204860 /nfs/dbraw/zinc/20/48/60/570204860.db2.gz PVERCBBXMOHRLZ-XMMPIXPASA-N 0 0 460.559 5.573 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408572342 570204938 /nfs/dbraw/zinc/20/49/38/570204938.db2.gz QXRXPLYDZYUVPZ-OAQYLSRUSA-N 0 0 496.317 5.826 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408572668 570205020 /nfs/dbraw/zinc/20/50/20/570205020.db2.gz RRPYVYSGKWPKDB-SANMLTNESA-N 0 0 488.613 6.190 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)c(C)c1 ZINC000408574047 570205358 /nfs/dbraw/zinc/20/53/58/570205358.db2.gz UMGRSMMMXWRDHM-VWLOTQADSA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccccc1 ZINC000408574461 570205399 /nfs/dbraw/zinc/20/53/99/570205399.db2.gz UVQOKGJONBWBCV-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN CCOc1ccc(Br)cc1[C@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1cccc(C)c1 ZINC000408574521 570205426 /nfs/dbraw/zinc/20/54/26/570205426.db2.gz VCGMNKCCNDWXSI-IBGZPJMESA-N 0 0 477.384 5.155 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408574402 570205428 /nfs/dbraw/zinc/20/54/28/570205428.db2.gz USSCFRUKSTZYQP-SFHVURJKSA-N 0 0 475.759 7.116 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1ccc(Cl)cc1 ZINC000408574405 570205432 /nfs/dbraw/zinc/20/54/32/570205432.db2.gz USUUQKHGAAJMGQ-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408574642 570205453 /nfs/dbraw/zinc/20/54/53/570205453.db2.gz JONINGCAMAMJRB-UHFFFAOYSA-N 0 0 499.854 5.320 40 5 JKBBRN CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 ZINC000408574701 570205466 /nfs/dbraw/zinc/20/54/66/570205466.db2.gz CAKPNWUCULTUQS-XIEYBQDHSA-N 0 0 461.521 6.902 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000408575060 570205555 /nfs/dbraw/zinc/20/55/55/570205555.db2.gz VVXMUOQNVREOSZ-FQEVSTJZSA-N 0 0 469.310 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(F)cc1 ZINC000408575074 570205587 /nfs/dbraw/zinc/20/55/87/570205587.db2.gz VYJPYSGNSMJMBW-HSZRJFAPSA-N 0 0 482.512 5.543 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccccc1 ZINC000408575370 570205641 /nfs/dbraw/zinc/20/56/41/570205641.db2.gz WAWDPYUASPGRKP-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 ZINC000408576565 570205964 /nfs/dbraw/zinc/20/59/64/570205964.db2.gz XSFCMFRNQKOMGP-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408577043 570206095 /nfs/dbraw/zinc/20/60/95/570206095.db2.gz YMFDFSVBWLAXOJ-XMMPIXPASA-N 0 0 476.558 5.273 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(F)cc1 ZINC000408577774 570206171 /nfs/dbraw/zinc/20/61/71/570206171.db2.gz ZVPPATJEXNAQLO-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN COc1ccc2nc3sc4c(ncnc4SCC(=O)Nc4ccc(N(C)C)cc4)c3cc2c1 ZINC000001327825 194088198 /nfs/dbraw/zinc/08/81/98/194088198.db2.gz FOHUSGPJVZQJSX-UHFFFAOYSA-N 0 0 475.599 5.198 40 5 JKBBRN O=C(/C=C/c1ccc(OCc2ccccc2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000001781741 194138918 /nfs/dbraw/zinc/13/89/18/194138918.db2.gz FNCVPMMSEQVPBH-SDNWHVSQSA-N 0 0 457.511 5.949 40 5 JKBBRN CC(=O)Oc1c2cc(/C(Cl)=C/c3ccccc3)c([N+](=O)[O-])cc2n(C(C)=O)c1-c1ccccc1 ZINC000003844805 194364093 /nfs/dbraw/zinc/36/40/93/194364093.db2.gz OSXCWSPSRGIUPH-XKZIYDEJSA-N 0 0 474.900 6.539 40 5 JKBBRN C[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003844727 194364145 /nfs/dbraw/zinc/36/41/45/194364145.db2.gz VYEOHMXBLIEAPS-HZPDHXFCSA-N 0 0 464.430 5.339 40 5 JKBBRN COc1cc2c(cc1OC)c1c(OC)c(OC)cc3c1c(c2C(=O)c1ccccc1)N(C)CC3 ZINC000005224358 194404097 /nfs/dbraw/zinc/40/40/97/194404097.db2.gz MYSNZENUPZGNLK-UHFFFAOYSA-N 0 0 457.526 5.251 40 5 JKBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610291 195183241 /nfs/dbraw/zinc/18/32/41/195183241.db2.gz KNTHODNZTWKNTK-UHFFFAOYSA-N 0 0 469.457 5.240 40 5 JKBBRN CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(OC)cc5[N+](=O)[O-])o4)cc3n2)cc1 ZINC000020610300 195183328 /nfs/dbraw/zinc/18/33/28/195183328.db2.gz VBEYQBXUPZNFMB-UHFFFAOYSA-N 0 0 499.483 5.248 40 5 JKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000020610569 195183526 /nfs/dbraw/zinc/18/35/26/195183526.db2.gz IKOUDYKDVXGXNX-UHFFFAOYSA-N 0 0 491.960 6.573 40 5 JKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610600 195183648 /nfs/dbraw/zinc/18/36/48/195183648.db2.gz WCDBVYYVKMAGDQ-UUILKARUSA-N 0 0 461.909 5.757 40 5 JKBBRN COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1Cl ZINC000020610829 195183776 /nfs/dbraw/zinc/18/37/76/195183776.db2.gz SFVDUWQHDVBCAB-YCRREMRBSA-N 0 0 484.299 5.296 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)c([N+](=O)[O-])c1 ZINC000020610954 195184200 /nfs/dbraw/zinc/18/42/00/195184200.db2.gz UIKVUQAFRYVFKJ-UHFFFAOYSA-N 0 0 469.457 5.158 40 5 JKBBRN 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Cc1c(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c2ccccc2n1Cc1ccccc1 ZINC000106727031 195460871 /nfs/dbraw/zinc/46/08/71/195460871.db2.gz CRJWWUAMKIXKDL-MYYYXRDXSA-N 0 0 483.549 6.143 40 5 JKBBRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000224851231 195467802 /nfs/dbraw/zinc/46/78/02/195467802.db2.gz MOGKZXPJEVSSFF-MRXNPFEDSA-N 0 0 492.403 5.310 40 5 JKBBRN Brc1ccc2c(c1)[nH]c1nc3c(Br)cc(Br)cc3nc21 ZINC000016431043 518218025 /nfs/dbraw/zinc/21/80/25/518218025.db2.gz IDUZYRCLCCWNBV-UHFFFAOYSA-N 0 0 455.935 5.552 40 5 JKBBRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1Op1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1 ZINC000014920334 519803270 /nfs/dbraw/zinc/80/32/70/519803270.db2.gz MUSCJXZNWNRCOK-CRDCFYADSA-N 0 0 470.549 9.486 40 5 JKBBRN CC1(C)CC(COC(=O)c2c3ccccc3c3ccc4cccc5ccc2c3c45)CC(C)(C)N1O ZINC000005639602 520282492 /nfs/dbraw/zinc/28/24/92/520282492.db2.gz JVRALYMPNFPWDG-UHFFFAOYSA-N 0 0 465.593 7.552 40 5 JKBBRN CC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12CCCC12C3=CC=C1C=CC=C1C=CC(=CC=C3)C12C ZINC000068568393 520787948 /nfs/dbraw/zinc/78/79/48/520787948.db2.gz JUZKFQCYFDYRMJ-UHFFFAOYSA-N 0 0 476.663 8.999 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000022566953 521264636 /nfs/dbraw/zinc/26/46/36/521264636.db2.gz LGHODBAFVYVBSE-UHFFFAOYSA-N 0 0 459.506 5.241 40 5 JKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000022572932 521265243 /nfs/dbraw/zinc/26/52/43/521265243.db2.gz NJDMSDITKIGEQY-UHFFFAOYSA-N 0 0 463.925 5.885 40 5 JKBBRN COc1cc2oc3cc(=O)cc4oc(-c5ccccc5)cc(c43)c2c2c1CC[C@@H](c1ccccc1)O2 ZINC000014614772 523073857 /nfs/dbraw/zinc/07/38/57/523073857.db2.gz ZKOTWKIEVACBFM-QHCPKHFHSA-N 0 0 474.512 7.434 40 5 biogenic,in-vitro JKBBRN CCn1c2c3ccccc3c(C(=O)c3cc(OC)c(OC)c(OC)c3)n2c2c3ccccc3oc2c1=O ZINC000016756707 523255769 /nfs/dbraw/zinc/25/57/69/523255769.db2.gz HORLMQRCXSSWTQ-UHFFFAOYSA-N 0 0 496.519 5.430 40 5 JKBBRN 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ZINC000041124295 527294511 /nfs/dbraw/zinc/29/45/11/527294511.db2.gz JTLRZPGEFXWNQZ-UHFFFAOYSA-N 0 0 453.911 5.047 40 5 JKBBRN Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000022760915 527429351 /nfs/dbraw/zinc/42/93/51/527429351.db2.gz QAJLPLZCFFQWCV-UHFFFAOYSA-N 0 0 469.284 5.220 40 5 JKBBRN O=c1c2ccc(C3=C[C@@H](c4ccccc4)NN3c3ccccc3)c3cccc(c4nc5ccccc5n41)c32 ZINC000016478278 527462803 /nfs/dbraw/zinc/46/28/03/527462803.db2.gz FENKRRQVHGYMOU-NDEPHWFRSA-N 0 0 490.566 6.699 40 5 JKBBRN O=c1c2ccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)c3cccc(c4nc5ccccc5n41)c32 ZINC000016478299 527463259 /nfs/dbraw/zinc/46/32/59/527463259.db2.gz NTOGFCKPVHTJER-PMERELPUSA-N 0 0 490.566 6.948 40 5 JKBBRN COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1-c1ccc(C)cc1 ZINC000000793585 553782136 /nfs/dbraw/zinc/78/21/36/553782136.db2.gz JIEXEAZJLQWPOD-UHFFFAOYSA-N 0 0 489.557 5.199 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-] ZINC000000817531 553785912 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COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000006297404 554528832 /nfs/dbraw/zinc/52/88/32/554528832.db2.gz QXFFGSPVMGFQTG-UHFFFAOYSA-N 0 0 464.528 5.007 40 5 JKBBRN Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2-c2ccccc2)c1 ZINC000006442696 554537070 /nfs/dbraw/zinc/53/70/70/554537070.db2.gz YFNLMHDHCCGMKZ-UHFFFAOYSA-N 0 0 489.557 5.102 40 5 JKBBRN Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2cccc(Cl)c2)c1 ZINC000006442757 554537256 /nfs/dbraw/zinc/53/72/56/554537256.db2.gz RFSMIFSROOPFIY-MRXNPFEDSA-N 0 0 493.976 5.924 40 5 JKBBRN O=c1n(Cc2ccccc2)c2cc(Nc3ccccc3)c([N+](=O)[O-])cc2n1Cc1ccccc1 ZINC000006446412 554540744 /nfs/dbraw/zinc/54/07/44/554540744.db2.gz XJIDLBUACWZSRA-UHFFFAOYSA-N 0 0 450.498 5.551 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2nc3c([nH]2)c2ccccc2c2ccc(I)cc32)cc1 ZINC000006446942 554541260 /nfs/dbraw/zinc/54/12/60/554541260.db2.gz AKXBTPBUZMMQFO-UHFFFAOYSA-N 0 0 465.250 6.049 40 5 JKBBRN CCCCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000006471884 554543347 /nfs/dbraw/zinc/54/33/47/554543347.db2.gz XPDXDRYYPOAONP-SKCUWOTOSA-N 0 0 499.611 7.079 40 5 JKBBRN O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000006474714 554544322 /nfs/dbraw/zinc/54/43/22/554544322.db2.gz NIBQUDGFTQCABG-UHFFFAOYSA-N 0 0 497.536 5.432 40 5 JKBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)cc1 ZINC000006474892 554544725 /nfs/dbraw/zinc/54/47/25/554544725.db2.gz CYJCECNESIQUNF-UHFFFAOYSA-N 0 0 467.348 5.897 40 5 JKBBRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c1 ZINC000006844231 554558890 /nfs/dbraw/zinc/55/88/90/554558890.db2.gz LWJAINDQTMPPDI-UHFFFAOYSA-N 0 0 496.951 6.291 40 5 JKBBRN CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])c2c1 ZINC000006844273 554559005 /nfs/dbraw/zinc/55/90/05/554559005.db2.gz LWGZLZDLWLCVPX-UHFFFAOYSA-N 0 0 462.506 5.637 40 5 JKBBRN CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3OC)nc(-c3ccc(F)cc3)nc12 ZINC000006860528 554559048 /nfs/dbraw/zinc/55/90/48/554559048.db2.gz CNZQOQBTMGHIPI-UHFFFAOYSA-N 0 0 492.532 5.646 40 5 JKBBRN CCc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12 ZINC000006860551 554559095 /nfs/dbraw/zinc/55/90/95/554559095.db2.gz KDCDPUIYVVAHIT-UHFFFAOYSA-N 0 0 462.506 5.637 40 5 JKBBRN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000006924667 554562247 /nfs/dbraw/zinc/56/22/47/554562247.db2.gz KBHHZRYLTCNDTO-UHFFFAOYSA-N 0 0 468.296 6.378 40 5 JKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000008831038 554720940 /nfs/dbraw/zinc/72/09/40/554720940.db2.gz ODNTXMRREVVMQL-UHFFFAOYSA-N 0 0 460.515 5.455 40 5 JKBBRN COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000008831280 554721785 /nfs/dbraw/zinc/72/17/85/554721785.db2.gz HIQSRYMVRZCQAI-UHFFFAOYSA-N 0 0 466.302 5.297 40 5 JKBBRN O=C(COc1ccc(C2CCCCC2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000008831793 554723772 /nfs/dbraw/zinc/72/37/72/554723772.db2.gz SKCRWAZPHPSDGX-UHFFFAOYSA-N 0 0 457.958 5.024 40 5 JKBBRN O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008831865 554724223 /nfs/dbraw/zinc/72/42/23/554724223.db2.gz RGYROHFPUFAVFW-UHFFFAOYSA-N 0 0 461.909 5.644 40 5 JKBBRN COc1c(Br)cc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000008832278 554726144 /nfs/dbraw/zinc/72/61/44/554726144.db2.gz QQQNCBOVHDMZGJ-UHFFFAOYSA-N 0 0 464.497 5.034 40 5 JKBBRN O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000008832391 554726590 /nfs/dbraw/zinc/72/65/90/554726590.db2.gz WPMHHGPMGZLJTB-UHFFFAOYSA-N 0 0 455.253 5.927 40 5 JKBBRN Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008833016 554729429 /nfs/dbraw/zinc/72/94/29/554729429.db2.gz LXIODTMTJMAMAL-UHFFFAOYSA-N 0 0 491.411 5.091 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 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555771646 /nfs/dbraw/zinc/77/16/46/555771646.db2.gz JIQKQABUYIGRBQ-UHFFFAOYSA-N 0 0 462.243 5.329 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014274577 555777258 /nfs/dbraw/zinc/77/72/58/555777258.db2.gz WVMMWYVMWFNKKL-XBXARRHUSA-N 0 0 496.759 6.341 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000014275244 555780121 /nfs/dbraw/zinc/78/01/21/555780121.db2.gz APVWAKMDDXUBGX-UHFFFAOYSA-N 0 0 480.727 5.398 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000020353308 555781135 /nfs/dbraw/zinc/78/11/35/555781135.db2.gz PLUCLYQXDZMVJF-OAHLLOKOSA-N 0 0 474.542 6.043 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000020353318 555781203 /nfs/dbraw/zinc/78/12/03/555781203.db2.gz OEDOZVFHACPZGA-HNNXBMFYSA-N 0 0 488.569 6.352 40 5 JKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000014275696 555781374 /nfs/dbraw/zinc/78/13/74/555781374.db2.gz AZKGLPNGPHMKBZ-UHFFFAOYSA-N 0 0 490.541 5.545 40 5 JKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000014275824 555782014 /nfs/dbraw/zinc/78/20/14/555782014.db2.gz RPUHSHUVDQMQLT-UHFFFAOYSA-N 0 0 488.573 5.196 40 5 JKBBRN Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-] ZINC000014275894 555782084 /nfs/dbraw/zinc/78/20/84/555782084.db2.gz QOBYPMNKRCLDON-UHFFFAOYSA-N 0 0 496.552 5.226 40 5 JKBBRN O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000014276016 555782537 /nfs/dbraw/zinc/78/25/37/555782537.db2.gz GAKBCEFJSYNNGL-UHFFFAOYSA-N 0 0 497.802 5.128 40 5 JKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000014277282 555785655 /nfs/dbraw/zinc/78/56/55/555785655.db2.gz NBSOSMMHQSPTSC-UHFFFAOYSA-N 0 0 476.986 5.010 40 5 JKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000014277527 555786304 /nfs/dbraw/zinc/78/63/04/555786304.db2.gz ZQVRDIYLSBRSLS-UHFFFAOYSA-N 0 0 478.744 7.084 40 5 JKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000014277639 555786604 /nfs/dbraw/zinc/78/66/04/555786604.db2.gz INYBIZRROQDOIH-UHFFFAOYSA-N 0 0 474.542 5.269 40 5 JKBBRN Cc1ccc2nc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000014277820 555786807 /nfs/dbraw/zinc/78/68/07/555786807.db2.gz GPUHQFHOQZRPSB-UHFFFAOYSA-N 0 0 476.920 6.217 40 5 JKBBRN Cc1cc2nc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)oc2c(C)c1 ZINC000014277835 555786890 /nfs/dbraw/zinc/78/68/90/555786890.db2.gz CYQMYWPKJLPFBD-UHFFFAOYSA-N 0 0 490.947 6.526 40 5 JKBBRN CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014277908 555787129 /nfs/dbraw/zinc/78/71/29/555787129.db2.gz FUMXNJAHDQJFQR-UHFFFAOYSA-N 0 0 490.947 6.471 40 5 JKBBRN CCc1ccc2oc(-c3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3Cl)nc2c1 ZINC000014277846 555787192 /nfs/dbraw/zinc/78/71/92/555787192.db2.gz BHIDUYFMLDSJRJ-UHFFFAOYSA-N 0 0 490.947 6.471 40 5 JKBBRN O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000020410845 555787823 /nfs/dbraw/zinc/78/78/23/555787823.db2.gz NCOFLCKVIWWQLC-UHFFFAOYSA-N 0 0 462.289 5.251 40 5 JKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(I)ccc1Cl ZINC000014278164 555787995 /nfs/dbraw/zinc/78/79/95/555787995.db2.gz ZYGSPGZKNPNTEH-UHFFFAOYSA-N 0 0 485.690 5.229 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014278377 555788517 /nfs/dbraw/zinc/78/85/17/555788517.db2.gz SFAWRAFUVRBTFK-UHFFFAOYSA-N 0 0 480.883 6.048 40 5 JKBBRN CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)c(C)c1 ZINC000014278579 555788818 /nfs/dbraw/zinc/78/88/18/555788818.db2.gz BUEDKRUWPHNMOU-UHFFFAOYSA-N 0 0 488.548 5.053 40 5 JKBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000014278688 555789076 /nfs/dbraw/zinc/78/90/76/555789076.db2.gz KQMDKZXKHVQJHS-GORDUTHDSA-N 0 0 490.535 5.434 40 5 JKBBRN COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014278685 555789107 /nfs/dbraw/zinc/78/91/07/555789107.db2.gz UWZUZQLLPJPCPF-GORDUTHDSA-N 0 0 490.535 5.434 40 5 JKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 ZINC000014278781 555789427 /nfs/dbraw/zinc/78/94/27/555789427.db2.gz YFFFURNRXIESCW-PJQLUOCWSA-N 0 0 477.948 6.450 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)Nc3nc4ccc(C(=O)OC(C)C)cc4s3)o2)c([N+](=O)[O-])c1 ZINC000020411831 555789565 /nfs/dbraw/zinc/78/95/65/555789565.db2.gz ATDPSVCDSNWOQS-UHFFFAOYSA-N 0 0 465.487 5.590 40 5 JKBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000020412149 555789811 /nfs/dbraw/zinc/78/98/11/555789811.db2.gz YFIPELJDOAPQAQ-UHFFFAOYSA-N 0 0 451.523 5.327 40 5 JKBBRN COc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000014278983 555789973 /nfs/dbraw/zinc/78/99/73/555789973.db2.gz HYAFCHFMIZDZDH-UHFFFAOYSA-N 0 0 485.496 5.229 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000020412185 555790189 /nfs/dbraw/zinc/79/01/89/555790189.db2.gz UPRQEABTRRZSCU-UHFFFAOYSA-N 0 0 464.474 5.605 40 5 JKBBRN CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000014291163 555792520 /nfs/dbraw/zinc/79/25/20/555792520.db2.gz OOJOEQPGCSJLDU-UHFFFAOYSA-N 0 0 496.951 5.065 40 5 JKBBRN CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 ZINC000020528728 555793276 /nfs/dbraw/zinc/79/32/76/555793276.db2.gz SCBCUTQNFOUFDB-UHFFFAOYSA-N 0 0 492.963 5.025 40 5 JKBBRN CC(C)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020550258 555806968 /nfs/dbraw/zinc/80/69/68/555806968.db2.gz PCXHILDFDRITMU-XMMPIXPASA-N 0 0 464.363 6.836 40 5 JKBBRN CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)c1C ZINC000014405481 555808019 /nfs/dbraw/zinc/80/80/19/555808019.db2.gz CWOFAIKFPRRELR-OUKQBFOZSA-N 0 0 461.522 5.112 40 5 JKBBRN Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2C)cc1 ZINC000014413146 555812274 /nfs/dbraw/zinc/81/22/74/555812274.db2.gz FNUAJVKUBTXQHE-UHFFFAOYSA-N 0 0 487.965 5.007 40 5 JKBBRN C[C@@H]1CCC[C@@H](n2c(=O)c3ccc4c5c(ccc(c35)c2=O)c(=O)n([C@@H]2CCC[C@@H](C)[C@@H]2C)c4=O)[C@@H]1C ZINC000020569786 555823208 /nfs/dbraw/zinc/82/32/08/555823208.db2.gz AASLOMJBKLCZLF-GYDDAVKMSA-N 0 0 486.612 5.060 40 5 JKBBRN O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000014608266 555836814 /nfs/dbraw/zinc/83/68/14/555836814.db2.gz OEHJBSGYWYPNPN-UHFFFAOYSA-N 0 0 487.613 5.426 40 5 JKBBRN Cc1c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cccc1-c1nc2ncccc2o1 ZINC000021595863 555853938 /nfs/dbraw/zinc/85/39/38/555853938.db2.gz TWDMIRGEFOZPCL-UHFFFAOYSA-N 0 0 464.890 6.227 40 5 JKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)ccc3o2)cc1Cl ZINC000021596102 555854471 /nfs/dbraw/zinc/85/44/71/555854471.db2.gz GCZCEDDUDSUAAK-UHFFFAOYSA-N 0 0 498.347 7.485 40 5 JKBBRN COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\c2cccc(C)c2C)cc1OC ZINC000015277368 555892919 /nfs/dbraw/zinc/89/29/19/555892919.db2.gz JHJIAFODLSNUBO-DQSJHHFOSA-N 0 0 489.597 6.234 40 5 JKBBRN C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000015303449 555894014 /nfs/dbraw/zinc/89/40/14/555894014.db2.gz PHSQMKVKFHIXHK-MRXNPFEDSA-N 0 0 492.498 5.081 40 5 JKBBRN O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000015303436 555894034 /nfs/dbraw/zinc/89/40/34/555894034.db2.gz LHRNPVNUYVSXMF-UHFFFAOYSA-N 0 0 489.425 6.398 40 5 JKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000022532675 555932429 /nfs/dbraw/zinc/93/24/29/555932429.db2.gz RIBZEPYTPAKGRP-UHFFFAOYSA-N 0 0 451.866 5.934 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1Cl ZINC000022537851 555934231 /nfs/dbraw/zinc/93/42/31/555934231.db2.gz BSNJHVJRRSJFFJ-JXMROGBWSA-N 0 0 455.923 5.651 40 5 JKBBRN Cc1cc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000022562642 555934590 /nfs/dbraw/zinc/93/45/90/555934590.db2.gz QFMJVPUXXNHCPJ-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3C)nc2c1 ZINC000022562632 555934617 /nfs/dbraw/zinc/93/46/17/555934617.db2.gz YLNNLCXWJKIUIH-UHFFFAOYSA-N 0 0 456.502 5.872 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000022566007 555936220 /nfs/dbraw/zinc/93/62/20/555936220.db2.gz URWPEXSILGVYGQ-UHFFFAOYSA-N 0 0 458.908 5.245 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)c([N+](=O)[O-])c3)o2)cc1Cl ZINC000022567488 555936534 /nfs/dbraw/zinc/93/65/34/555936534.db2.gz COIBEUMYICVARE-RMKNXTFCSA-N 0 0 459.886 5.482 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1Cl ZINC000022567492 555936621 /nfs/dbraw/zinc/93/66/21/555936621.db2.gz GUBUKUXIBAWFAP-RMKNXTFCSA-N 0 0 459.886 5.482 40 5 JKBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1[N+](=O)[O-] ZINC000022568960 555936798 /nfs/dbraw/zinc/93/67/98/555936798.db2.gz ITVOSKMNBNWTHG-UHFFFAOYSA-N 0 0 461.474 5.679 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000022571763 555937809 /nfs/dbraw/zinc/93/78/09/555937809.db2.gz QKYJVZBIEWSKDM-UHFFFAOYSA-N 0 0 463.273 5.518 40 5 JKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000022706241 555943497 /nfs/dbraw/zinc/94/34/97/555943497.db2.gz JNFMJVKTQXMYKF-UXBLZVDNSA-N 0 0 470.337 6.830 40 5 JKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c(C)c1 ZINC000022706506 555943765 /nfs/dbraw/zinc/94/37/65/555943765.db2.gz BYOIINFVHNJZGN-UHFFFAOYSA-N 0 0 470.529 6.181 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000022709038 555945050 /nfs/dbraw/zinc/94/50/50/555945050.db2.gz YWPRDWGSKUFZSU-UHFFFAOYSA-N 0 0 473.312 5.925 40 5 JKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl ZINC000022708765 555945150 /nfs/dbraw/zinc/94/51/50/555945150.db2.gz JOSLVQHOGFYGPU-UHFFFAOYSA-N 0 0 472.935 5.553 40 5 JKBBRN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 ZINC000022715401 555947097 /nfs/dbraw/zinc/94/70/97/555947097.db2.gz FUJUAEYFGMDZIF-UHFFFAOYSA-N 0 0 478.892 5.145 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3)nc2c1 ZINC000022718358 555948031 /nfs/dbraw/zinc/94/80/31/555948031.db2.gz FUYSGHUSWVAUAR-KRWDZBQOSA-N 0 0 481.508 7.429 40 5 JKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2cc(Cl)ccc2c1Cl ZINC000022740556 555948945 /nfs/dbraw/zinc/94/89/45/555948945.db2.gz RLTPMEFFXBQHFK-UHFFFAOYSA-N 0 0 483.383 5.853 40 5 JKBBRN CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000022745031 555950392 /nfs/dbraw/zinc/95/03/92/555950392.db2.gz CCSZEVPSFGKEEN-UHFFFAOYSA-N 0 0 487.339 6.234 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 ZINC000022746470 555951401 /nfs/dbraw/zinc/95/14/01/555951401.db2.gz FAZYJPFBDWTHPD-OAHLLOKOSA-N 0 0 488.569 6.352 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl ZINC000022748375 555952109 /nfs/dbraw/zinc/95/21/09/555952109.db2.gz OFLIVKRNXWLIBZ-SOFGYWHQSA-N 0 0 490.368 6.305 40 5 JKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3)nc2c1 ZINC000022753016 555953063 /nfs/dbraw/zinc/95/30/63/555953063.db2.gz RDOIQRXHALWSJS-CQSZACIVSA-N 0 0 494.345 6.931 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000022757638 555954374 /nfs/dbraw/zinc/95/43/74/555954374.db2.gz SALBWQIVASBMBT-UHFFFAOYSA-N 0 0 497.338 6.562 40 5 JKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 ZINC000012485517 555987255 /nfs/dbraw/zinc/98/72/55/555987255.db2.gz STQZTRRHYPBKFP-UHFFFAOYSA-N 0 0 455.699 5.445 40 5 JKBBRN O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000012705748 556103539 /nfs/dbraw/zinc/10/35/39/556103539.db2.gz IJQGXGZACRHBLF-UHFFFAOYSA-N 0 0 496.957 6.220 40 5 JKBBRN COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 ZINC000012844483 556117146 /nfs/dbraw/zinc/11/71/46/556117146.db2.gz KJTVRMFIVTURSH-GFCCVEGCSA-N 0 0 478.452 5.199 40 5 JKBBRN COc1ccc(Nc2nc(/C=C/c3cccc([N+](=O)[O-])c3)cc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000016217194 556129911 /nfs/dbraw/zinc/12/99/11/556129911.db2.gz SMRNUEMOGURGLW-GFULKKFKSA-N 0 0 495.495 6.386 40 5 JKBBRN COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000016228427 556130457 /nfs/dbraw/zinc/13/04/57/556130457.db2.gz IWZPYVWXMYTTMZ-NRFANRHFSA-N 0 0 480.318 5.357 40 5 JKBBRN COc1ccccc1Nc1nc(Nc2ccc(Br)c3ccccc23)nc(C)c1[N+](=O)[O-] ZINC000016249511 556131084 /nfs/dbraw/zinc/13/10/84/556131084.db2.gz QMCUKTFOEFEILF-UHFFFAOYSA-N 0 0 480.322 6.105 40 5 JKBBRN Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc(-c2nc3ncccc3o2)c1O ZINC000016269598 556131934 /nfs/dbraw/zinc/13/19/34/556131934.db2.gz OMLTYBKAXPUVKN-UHFFFAOYSA-N 0 0 480.889 5.932 40 5 JKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(C)c(O)c(-c4nc5ncccc5o4)c3)o2)c([N+](=O)[O-])c1 ZINC000016269614 556132003 /nfs/dbraw/zinc/13/20/03/556132003.db2.gz GLKXWPJLOFKSNH-UHFFFAOYSA-N 0 0 486.440 5.333 40 5 JKBBRN CC(C)(c1ccccc1)c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000024522645 556133642 /nfs/dbraw/zinc/13/36/42/556133642.db2.gz ICVONAYDZALBEV-UHFFFAOYSA-N 0 0 473.956 7.945 40 5 JKBBRN CCCc1cc(-c2nc(-c3ccc(Oc4c(Cl)cccc4[N+](=O)[O-])cc3)cs2)ccn1 ZINC000024522893 556133647 /nfs/dbraw/zinc/13/36/47/556133647.db2.gz FUNOQOCDUPRYBB-UHFFFAOYSA-N 0 0 451.935 7.179 40 5 JKBBRN O=C(NC(=S)Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000016383957 556136618 /nfs/dbraw/zinc/13/66/18/556136618.db2.gz CNGMQTWQQBPCDI-UHFFFAOYSA-N 0 0 454.266 5.428 40 5 JKBBRN O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016400001 556137827 /nfs/dbraw/zinc/13/78/27/556137827.db2.gz NRXYMDDBWIXBKX-UHFFFAOYSA-N 0 0 484.946 5.759 40 5 JKBBRN O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000016401724 556138327 /nfs/dbraw/zinc/13/83/27/556138327.db2.gz GPVZYVBVGISIJK-ORSSICPCSA-N 0 0 482.492 5.278 40 5 JKBBRN O=C(OCc1ccc(Br)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000016401669 556138387 /nfs/dbraw/zinc/13/83/87/556138387.db2.gz IRXPIGLMOAUQAL-UHFFFAOYSA-N 0 0 473.235 5.415 40 5 JKBBRN O=C(c1cccc2c(Br)cccc12)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016431521 556139261 /nfs/dbraw/zinc/13/92/61/556139261.db2.gz BZERXYKGJAJAQA-UHFFFAOYSA-N 0 0 474.742 5.126 40 5 JKBBRN O=C(c1ccc(OCc2ccccc2)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000016480365 556140312 /nfs/dbraw/zinc/14/03/12/556140312.db2.gz SDJIFUPLUZMTKC-UHFFFAOYSA-N 0 0 485.462 5.155 40 5 JKBBRN O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000016487872 556140624 /nfs/dbraw/zinc/14/06/24/556140624.db2.gz RSHGWIBIXIFEPI-UHFFFAOYSA-N 0 0 472.482 5.509 40 5 JKBBRN O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(Nc3ccccc3)n2)c1 ZINC000016490546 556140907 /nfs/dbraw/zinc/14/09/07/556140907.db2.gz CZVSXQFOEBLUDF-QUMQEAAQSA-N 0 0 465.469 6.377 40 5 JKBBRN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(COc2ccc(-c3cnc4ccccc4n3)cc2)cc1 ZINC000016545602 556143140 /nfs/dbraw/zinc/14/31/40/556143140.db2.gz CBOYSRBHOJJLPY-UHFFFAOYSA-N 0 0 483.911 7.230 40 5 JKBBRN CC1(C)c2ccccc2N(CC(=O)NCc2ccccc2Cl)[C@]12C=Cc1cc([N+](=O)[O-])ccc1O2 ZINC000016605540 556145775 /nfs/dbraw/zinc/14/57/75/556145775.db2.gz SAJSUPBUUWZVLF-MHZLTWQESA-N 0 0 489.959 5.464 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611099 556147442 /nfs/dbraw/zinc/14/74/42/556147442.db2.gz FEXYFBCBNRJKCB-HNNXBMFYSA-N 0 0 488.569 6.352 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016611226 556147745 /nfs/dbraw/zinc/14/77/45/556147745.db2.gz VCENMERFLUTICS-HNNXBMFYSA-N 0 0 474.542 6.043 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000016611230 556147765 /nfs/dbraw/zinc/14/77/65/556147765.db2.gz IUQQIRYGQCWLMY-HNNXBMFYSA-N 0 0 488.569 6.352 40 5 JKBBRN CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 ZINC000016611483 556148018 /nfs/dbraw/zinc/14/80/18/556148018.db2.gz WMMXFSVJARKOOK-HWUWQJTLSA-N 0 0 492.531 5.310 40 5 JKBBRN CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(C)=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 ZINC000016682308 556151067 /nfs/dbraw/zinc/15/10/67/556151067.db2.gz MAVOXAWQBCUAIB-UHFFFAOYSA-N 0 0 484.936 5.526 40 5 JKBBRN CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(OC)cc1 ZINC000016682610 556151075 /nfs/dbraw/zinc/15/10/75/556151075.db2.gz RYQWEKGCWVBHTR-HSZRJFAPSA-N 0 0 480.908 5.159 40 5 JKBBRN CCOc1ccc(-n2c(SCC(=O)c3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 ZINC000016788736 556159775 /nfs/dbraw/zinc/15/97/75/556159775.db2.gz VWJZMPKFVDJSJW-UHFFFAOYSA-N 0 0 460.515 5.216 40 5 JKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)N4c5ccccc5C[C@H]4C)c3cc2c1 ZINC000013086127 556285893 /nfs/dbraw/zinc/28/58/93/556285893.db2.gz QUIYOVPKFNGURB-MRXNPFEDSA-N 0 0 470.623 6.079 40 5 JKBBRN CCCCCOc1ccc(C(=O)Oc2ccc(O)c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000019075493 556327990 /nfs/dbraw/zinc/32/79/90/556327990.db2.gz YBUIUMKZUGYBIE-UHFFFAOYSA-N 0 0 479.485 5.446 40 5 JKBBRN CCOc1ccc([N+](=O)[O-])cc1C1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC ZINC000019326407 556341755 /nfs/dbraw/zinc/34/17/55/556341755.db2.gz VPCALYCYDKKSIM-UHFFFAOYSA-N 0 0 491.588 5.417 40 5 JKBBRN N=C(NC(=N)Nc1cc2ccccc2c2ccccc12)Nc1cc2ccccc2c2ccccc12 ZINC000031614446 556400391 /nfs/dbraw/zinc/40/03/91/556400391.db2.gz UQAUGASXZKLKHW-UHFFFAOYSA-N 0 0 453.549 7.283 40 5 JKBBRN Cc1ccc(NC(=O)C2=C(C)NC(C)=C(C(=O)Nc3ccc(C)cc3)C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000031830093 556408496 /nfs/dbraw/zinc/40/84/96/556408496.db2.gz AISLSFVIKGFDPP-UHFFFAOYSA-N 0 0 496.567 5.724 40 5 JKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc2c(Br)cccc12 ZINC000032107011 556418206 /nfs/dbraw/zinc/41/82/06/556418206.db2.gz LMXRHJKQYVPENL-UHFFFAOYSA-N 0 0 464.728 5.291 40 5 JKBBRN O=C(NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000032109349 556418993 /nfs/dbraw/zinc/41/89/93/556418993.db2.gz KDCUNEQFHJJMAD-UHFFFAOYSA-N 0 0 497.330 5.292 40 5 JKBBRN Cc1cc(NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032111928 556420860 /nfs/dbraw/zinc/42/08/60/556420860.db2.gz DJIKXYPEFHXCHI-UHFFFAOYSA-N 0 0 459.458 5.228 40 5 JKBBRN Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1[N+](=O)[O-] ZINC000032112067 556421034 /nfs/dbraw/zinc/42/10/34/556421034.db2.gz NSSLDXDVSPXKFU-UHFFFAOYSA-N 0 0 487.899 6.536 40 5 JKBBRN Cc1cc(NC(=O)COc2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114554 556421333 /nfs/dbraw/zinc/42/13/33/556421333.db2.gz WJCSNCWRRVEBEO-UHFFFAOYSA-N 0 0 459.458 5.228 40 5 JKBBRN CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1OC ZINC000032115039 556421916 /nfs/dbraw/zinc/42/19/16/556421916.db2.gz GYTTYDAVZBMVOD-UHFFFAOYSA-N 0 0 496.545 5.119 40 5 JKBBRN Cc1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032115178 556422139 /nfs/dbraw/zinc/42/21/39/556422139.db2.gz KCCCVVIUVKXAAA-UHFFFAOYSA-N 0 0 488.525 5.337 40 5 JKBBRN COc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1[N+](=O)[O-] ZINC000032115400 556422677 /nfs/dbraw/zinc/42/26/77/556422677.db2.gz INBSGRZODQSNAW-UHFFFAOYSA-N 0 0 459.792 5.596 40 5 JKBBRN CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1[N+](=O)[O-] ZINC000032116450 556423693 /nfs/dbraw/zinc/42/36/93/556423693.db2.gz NLQQKMPWRSUGQL-UHFFFAOYSA-N 0 0 490.541 5.545 40 5 JKBBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032124565 556427236 /nfs/dbraw/zinc/42/72/36/556427236.db2.gz XVILKSDJRHPSNL-HMAPJEAMSA-N 0 0 462.552 6.291 40 5 JKBBRN O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000032124706 556427734 /nfs/dbraw/zinc/42/77/34/556427734.db2.gz UMGYJFCVBQZVOF-IUXPMGMMSA-N 0 0 485.370 5.223 40 5 JKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000032125194 556429078 /nfs/dbraw/zinc/42/90/78/556429078.db2.gz AIIBNFSUIPMUPA-ZDUSSCGKSA-N 0 0 484.339 7.476 40 5 JKBBRN COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)SC2=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000032594551 556448743 /nfs/dbraw/zinc/44/87/43/556448743.db2.gz JQOXYJDJLCURGZ-IBNIFWCESA-O 0 0 485.545 5.361 40 5 JKBBRN Cc1nc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1I ZINC000057312798 569596347 /nfs/dbraw/zinc/59/63/47/569596347.db2.gz WUGACXVVXGCCHQ-UHFFFAOYSA-N 0 0 473.679 5.023 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313058 569596474 /nfs/dbraw/zinc/59/64/74/569596474.db2.gz ZEZAQBOWJHQUMG-UHFFFAOYSA-N 0 0 484.320 7.177 40 5 JKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1Cl ZINC000057313148 569596475 /nfs/dbraw/zinc/59/64/75/569596475.db2.gz CZXHVBQXPBYMCE-ZHACJKMWSA-N 0 0 457.939 5.643 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000057312987 569596489 /nfs/dbraw/zinc/59/64/89/569596489.db2.gz NJBDUZBUDXEIND-FYWRMAATSA-N 0 0 478.460 6.280 40 5 JKBBRN CC1CCN(c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3Cl)cc2[N+](=O)[O-])CC1 ZINC000057313296 569596552 /nfs/dbraw/zinc/59/65/52/569596552.db2.gz OYNWPFOYDSBFMF-UHFFFAOYSA-N 0 0 490.951 5.471 40 5 JKBBRN COc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5c(cccc5[N+](=O)[O-])c4Cl)cc3n2)cc1 ZINC000057315566 569597135 /nfs/dbraw/zinc/59/71/35/569597135.db2.gz YTSFESFVNWJRLD-UHFFFAOYSA-N 0 0 493.932 5.766 40 5 JKBBRN CCCCC(=O)Nc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1OC ZINC000057315731 569597211 /nfs/dbraw/zinc/59/72/11/569597211.db2.gz NBQOGSCVIFIAHR-UHFFFAOYSA-N 0 0 461.927 5.853 40 5 JKBBRN O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057316000 569597330 /nfs/dbraw/zinc/59/73/30/569597330.db2.gz NTTLFKXSAUPBSW-UHFFFAOYSA-N 0 0 450.863 5.918 40 5 JKBBRN Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(C)cc1I ZINC000057316040 569597514 /nfs/dbraw/zinc/59/75/14/569597514.db2.gz MNKSMCPSORANNN-UHFFFAOYSA-N 0 0 493.345 5.305 40 5 JKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000057316216 569597608 /nfs/dbraw/zinc/59/76/08/569597608.db2.gz OMVKIWFMCLEARF-ZRDIBKRKSA-N 0 0 496.342 6.393 40 5 JKBBRN O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057316214 569597613 /nfs/dbraw/zinc/59/76/13/569597613.db2.gz PMSOLHJUTLPTST-UHFFFAOYSA-N 0 0 450.863 5.918 40 5 JKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000059294116 569602474 /nfs/dbraw/zinc/60/24/74/569602474.db2.gz TZQYIFXFEVCQCF-UHFFFAOYSA-N 0 0 460.880 5.747 40 5 JKBBRN CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000059428139 569603686 /nfs/dbraw/zinc/60/36/86/569603686.db2.gz NKBFHQIFXDKILA-UHFFFAOYSA-N 0 0 472.613 6.337 40 5 JKBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@@H]12 ZINC000059433370 569603764 /nfs/dbraw/zinc/60/37/64/569603764.db2.gz WWTDWXUBCMMRJT-FGEXJBCWSA-N 0 0 458.901 5.209 40 5 JKBBRN CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc([N+](=O)[O-])ccc3Cl)C(=O)[C@H]12 ZINC000059433375 569603785 /nfs/dbraw/zinc/60/37/85/569603785.db2.gz WWTDWXUBCMMRJT-ZQFKLAOWSA-N 0 0 458.901 5.209 40 5 JKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 ZINC000059449298 569603962 /nfs/dbraw/zinc/60/39/62/569603962.db2.gz GKGOCGWECCVESS-UHFFFAOYSA-N 0 0 465.487 5.437 40 5 JKBBRN 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COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl ZINC000033795691 569635296 /nfs/dbraw/zinc/63/52/96/569635296.db2.gz VCGBKPDOIBNASE-FPLPWBNLSA-N 0 0 479.714 6.065 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000033943322 569639302 /nfs/dbraw/zinc/63/93/02/569639302.db2.gz TXESVRZNOYGDHE-UHFFFAOYSA-N 0 0 457.515 5.153 40 5 JKBBRN COc1ccc(-c2csc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1Br ZINC000034967220 569673781 /nfs/dbraw/zinc/67/37/81/569673781.db2.gz NKLPGCQDAFDGBO-VMPITWQZSA-N 0 0 460.309 5.141 40 5 JKBBRN CCOc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)cc3n2)cc1 ZINC000035253149 569678874 /nfs/dbraw/zinc/67/88/74/569678874.db2.gz YLNXOJXOBQDNQB-UHFFFAOYSA-N 0 0 483.484 5.548 40 5 JKBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1)c1cccc(Cl)c1 ZINC000035264344 569679030 /nfs/dbraw/zinc/67/90/30/569679030.db2.gz XYYQLVGCFOIJMD-UHFFFAOYSA-N 0 0 474.698 5.515 40 5 JKBBRN 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462.889 6.151 40 5 JKBBRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000072230004 569700753 /nfs/dbraw/zinc/70/07/53/569700753.db2.gz WZGSSNHIBAHZRR-HSZRJFAPSA-N 0 0 451.910 5.182 40 5 JKBBRN Cc1ccc(C(=O)[C@H]2[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]3CSCN3[C@]23C(=O)Nc2ccc(C)cc23)cc1 ZINC000035851850 569716728 /nfs/dbraw/zinc/71/67/28/569716728.db2.gz QEKIEKMHKQUNFP-FQJHJXCSSA-N 0 0 499.592 5.030 40 5 JKBBRN CCN(CC)c1oc2ccc3ccccc3c2c(=O)c1/C=C/c1cccc(OC)c1C(=O)OC ZINC000100032921 569751618 /nfs/dbraw/zinc/75/16/18/569751618.db2.gz VVTUPLMRUAQYCL-JQIJEIRASA-N 0 0 457.526 5.758 40 5 JKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000100170574 569754752 /nfs/dbraw/zinc/75/47/52/569754752.db2.gz YDAIIMBJYHNCHW-UHFFFAOYSA-N 0 0 477.427 6.471 40 5 JKBBRN Cc1cc2c(c(C)c1)NC(=O)[C@]21[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 ZINC000036319059 569763508 /nfs/dbraw/zinc/76/35/08/569763508.db2.gz 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6.143 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccc(Cl)cc4)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000106703638 569854853 /nfs/dbraw/zinc/85/48/53/569854853.db2.gz LNRRALZLUQYFCI-XKZIYDEJSA-N 0 0 496.997 6.944 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1 ZINC000106702530 569854866 /nfs/dbraw/zinc/85/48/66/569854866.db2.gz PYVDXJFMRLZFDA-QFEZKATASA-N 0 0 483.549 6.143 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727192 569855161 /nfs/dbraw/zinc/85/51/61/569855161.db2.gz GFDFWKSQPVTHOR-XKZIYDEJSA-N 0 0 464.474 5.549 40 5 JKBBRN O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Br)cc1 ZINC000106724881 569855179 /nfs/dbraw/zinc/85/51/79/569855179.db2.gz HHDIMQSSLDOIAB-ODLFYWEKSA-N 0 0 485.315 5.854 40 5 JKBBRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1Br ZINC000106728068 569855212 /nfs/dbraw/zinc/85/52/12/569855212.db2.gz BPZMAJVOOHNWSC-WQRHYEAKSA-N 0 0 477.336 5.383 40 5 JKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1Br ZINC000106730709 569855223 /nfs/dbraw/zinc/85/52/23/569855223.db2.gz NIFLNPOBNDKPGD-UUASQNMZSA-N 0 0 488.146 5.901 40 5 JKBBRN O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106728431 569855239 /nfs/dbraw/zinc/85/52/39/569855239.db2.gz OPUPTYBQDAPKHC-QQXSKIMKSA-N 0 0 496.544 6.564 40 5 JKBBRN O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106738920 569855328 /nfs/dbraw/zinc/85/53/28/569855328.db2.gz KLTAAXVKMZJGFV-XYGWBWBKSA-N 0 0 499.548 5.865 40 5 JKBBRN O=C1S/C(=C\c2ccccc2OCc2cccc3ccccc32)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745909 569855414 /nfs/dbraw/zinc/85/54/14/569855414.db2.gz KAZHJFTXIOMOEA-QQXSKIMKSA-N 0 0 496.544 6.564 40 5 JKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 ZINC000107558686 569856521 /nfs/dbraw/zinc/85/65/21/569856521.db2.gz QLCRDUAJEIWOJT-UHFFFAOYSA-N 0 0 497.360 5.335 40 5 JKBBRN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000107652752 569856932 /nfs/dbraw/zinc/85/69/32/569856932.db2.gz NVXKSHNAJMMBEQ-LBPRGKRZSA-N 0 0 480.377 5.296 40 5 JKBBRN Cc1c(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000107849144 569857650 /nfs/dbraw/zinc/85/76/50/569857650.db2.gz MUSNJJYVUUYRCI-UHFFFAOYSA-N 0 0 493.928 5.457 40 5 JKBBRN O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107896782 569857863 /nfs/dbraw/zinc/85/78/63/569857863.db2.gz LJJSCISKBQOLLH-UHFFFAOYSA-N 0 0 470.721 5.942 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000108252654 569859256 /nfs/dbraw/zinc/85/92/56/569859256.db2.gz XEYGSWJYKUACJZ-UHFFFAOYSA-N 0 0 456.332 5.252 40 5 JKBBRN O=C1c2cc([N+](=O)[O-])ccc2N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 ZINC000113928927 569862316 /nfs/dbraw/zinc/86/23/16/569862316.db2.gz MVLNLIIZKQRFLL-HHHXNRCGSA-N 0 0 494.507 5.864 40 5 JKBBRN C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)CC[C@]3(C)[C@H]1CC2 ZINC000118925230 569863729 /nfs/dbraw/zinc/86/37/29/569863729.db2.gz GILPMOAHSFSFMF-QNLPAZNUSA-N 0 0 468.550 6.381 40 5 JKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](Cl)([N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118933450 569864042 /nfs/dbraw/zinc/86/40/42/569864042.db2.gz VPFGMEFQGQTRJH-RJVRFGKZSA-N 0 0 452.123 8.320 40 5 JKBBRN O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000138839471 569866508 /nfs/dbraw/zinc/86/65/08/569866508.db2.gz UHPPXIHCOSIWHP-SSVHHLKVSA-N 0 0 482.923 5.672 40 5 JKBBRN O=C(Nc1ccc(C(=O)N2[C@H](c3ccccc3)[C@H]2C(=O)c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000139074547 569866991 /nfs/dbraw/zinc/86/69/91/569866991.db2.gz YPDYVWCGSRFDAD-FKCWEYQYSA-N 0 0 491.503 5.296 40 5 JKBBRN C[C@H](Sc1nc2ccccc2c(=O)n1[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000195529332 569873490 /nfs/dbraw/zinc/87/34/90/569873490.db2.gz MFWWICBCDMOQEH-VLMPBXDWSA-N 0 0 480.590 5.421 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205698434 569874198 /nfs/dbraw/zinc/87/41/98/569874198.db2.gz HROGVSFKCFGXPM-VXLYETTFSA-N 0 0 485.861 5.653 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205698171 569874201 /nfs/dbraw/zinc/87/42/01/569874201.db2.gz OHDIMUDNTNPKBV-YBFXNURJSA-N 0 0 485.315 5.854 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1Cc1cccc2ccccc21 ZINC000209535736 569875970 /nfs/dbraw/zinc/87/59/70/569875970.db2.gz IPCZAAZVXQADKR-YDZHTSKRSA-N 0 0 490.924 6.898 40 5 JKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccc(F)cc1 ZINC000210810375 569876062 /nfs/dbraw/zinc/87/60/62/569876062.db2.gz COGCBMSHXMKFRA-OEAKJJBVSA-N 0 0 456.498 5.807 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000214045592 569876230 /nfs/dbraw/zinc/87/62/30/569876230.db2.gz VSLVQTBOBMEQBG-BUVRLJJBSA-N 0 0 490.537 5.809 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000214039038 569876264 /nfs/dbraw/zinc/87/62/64/569876264.db2.gz ZBYPXVDWXOJLSC-OEAKJJBVSA-N 0 0 476.510 5.419 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)o1 ZINC000214080975 569876275 /nfs/dbraw/zinc/87/62/75/569876275.db2.gz VWEPOFANADRJIN-RGVLZGJSSA-N 0 0 470.890 5.753 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214055659 569876285 /nfs/dbraw/zinc/87/62/85/569876285.db2.gz IVIUYVAKNOLHDT-YDZHTSKRSA-N 0 0 476.510 5.419 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1Cl ZINC000214077229 569876300 /nfs/dbraw/zinc/87/63/00/569876300.db2.gz CDRGUUZWPDJDRN-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000214138109 569876391 /nfs/dbraw/zinc/87/63/91/569876391.db2.gz ZHMZWQGVRUTQKI-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000214202419 569876427 /nfs/dbraw/zinc/87/64/27/569876427.db2.gz YEJNHYGEUSHNCS-FSJBWODESA-N 0 0 494.500 5.558 40 5 JKBBRN O=C1S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccc(F)cc1 ZINC000214228039 569876450 /nfs/dbraw/zinc/87/64/50/569876450.db2.gz UNJBZNRRXCSVKT-SRZZPIQSSA-N 0 0 495.444 5.671 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214386431 569876619 /nfs/dbraw/zinc/87/66/19/569876619.db2.gz LZKLZAKOIXXTDR-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000214426805 569876664 /nfs/dbraw/zinc/87/66/64/569876664.db2.gz CNBXJTMSFCVXMQ-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214474045 569876713 /nfs/dbraw/zinc/87/67/13/569876713.db2.gz LTAWZIADALOXLG-CIAFOILYSA-N 0 0 450.472 5.408 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c3)C2=O)c1 ZINC000214606339 569876752 /nfs/dbraw/zinc/87/67/52/569876752.db2.gz FVPYIZFXPKHRCC-WSDLNYQXSA-N 0 0 491.481 5.840 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000214613606 569876763 /nfs/dbraw/zinc/87/67/63/569876763.db2.gz SCRXKYNNNMCLBT-CIAFOILYSA-N 0 0 477.498 5.336 40 5 JKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000214626546 569876794 /nfs/dbraw/zinc/87/67/94/569876794.db2.gz UVBLZFXIVXZGIY-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 ZINC000214615765 569876806 /nfs/dbraw/zinc/87/68/06/569876806.db2.gz ZTODPVXPPYQQCZ-RGVLZGJSSA-N 0 0 454.891 6.053 40 5 JKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)C2=O)c1 ZINC000214638301 569876811 /nfs/dbraw/zinc/87/68/11/569876811.db2.gz FNTLKRIJFDSWNW-OEAKJJBVSA-N 0 0 460.511 5.719 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000214718281 569876938 /nfs/dbraw/zinc/87/69/38/569876938.db2.gz UMGDQYOFJNKATF-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214894838 569877004 /nfs/dbraw/zinc/87/70/04/569877004.db2.gz PGJMUQWHHFOTSV-LPYMAVHISA-N 0 0 480.929 6.064 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000214880837 569877044 /nfs/dbraw/zinc/87/70/44/569877044.db2.gz ALSGKFFGBWLGKA-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccccc1Br ZINC000214977757 569877067 /nfs/dbraw/zinc/87/70/67/569877067.db2.gz SOPXXXLWFDOTHD-OEAKJJBVSA-N 0 0 474.379 6.992 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215003116 569877104 /nfs/dbraw/zinc/87/71/04/569877104.db2.gz KGYDKCUOKIIURR-VXLYETTFSA-N 0 0 475.309 6.398 40 5 JKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1OCC ZINC000214988712 569877118 /nfs/dbraw/zinc/87/71/18/569877118.db2.gz VEOLUISCDJLSFS-WOJGMQOQSA-N 0 0 462.911 5.282 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215104262 569877192 /nfs/dbraw/zinc/87/71/92/569877192.db2.gz LFMZJJYBRLEOPN-VXLYETTFSA-N 0 0 458.854 5.884 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000215143529 569877206 /nfs/dbraw/zinc/87/72/06/569877206.db2.gz GQAVVUFUSIZHJQ-KEBDBYFISA-N 0 0 472.881 6.192 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 ZINC000215270528 569877303 /nfs/dbraw/zinc/87/73/03/569877303.db2.gz BHKNXIGCSBAQBE-DNTJNYDQSA-N 0 0 484.873 5.473 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)c([N+](=O)[O-])c1 ZINC000215274895 569877323 /nfs/dbraw/zinc/87/73/23/569877323.db2.gz ZKRZZDKSZPBZOZ-KEBDBYFISA-N 0 0 472.881 6.192 40 5 JKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1[N+](=O)[O-] ZINC000215276520 569877329 /nfs/dbraw/zinc/87/73/29/569877329.db2.gz KIMUJMQPLSUJRQ-KEBDBYFISA-N 0 0 472.881 6.192 40 5 JKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)ccc2c1 ZINC000222212902 569883896 /nfs/dbraw/zinc/88/38/96/569883896.db2.gz UONBRFZFOXFKSP-UHFFFAOYSA-N 0 0 456.414 5.161 40 5 JKBBRN CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)N21 ZINC000222716374 569889405 /nfs/dbraw/zinc/88/94/05/569889405.db2.gz GIUAJPMCSYTDJS-GAQQMNMRSA-N 0 0 450.520 5.238 40 5 JKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223118981 569899958 /nfs/dbraw/zinc/89/99/58/569899958.db2.gz VTVCNVXSPCEKSZ-RPWUZVMVSA-N 0 0 478.574 5.564 40 5 JKBBRN COc1ccc(-c2nnc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)s2)cc1 ZINC000223241908 569904673 /nfs/dbraw/zinc/90/46/73/569904673.db2.gz JIKPCHUMKOHVSV-RCCKNPSSSA-N 0 0 458.499 5.301 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223437351 569911399 /nfs/dbraw/zinc/91/13/99/569911399.db2.gz DXFCVCLAKMRJCX-RPBOFIJWSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223446269 569911664 /nfs/dbraw/zinc/91/16/64/569911664.db2.gz FNQASHCNXUWEIF-LOSJGSFVSA-N 0 0 486.553 5.431 40 5 JKBBRN COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223782852 569923203 /nfs/dbraw/zinc/92/32/03/569923203.db2.gz OPUCXQPATCPDGN-BJKOFHAPSA-N 0 0 472.526 5.436 40 5 JKBBRN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223833017 569924668 /nfs/dbraw/zinc/92/46/68/569924668.db2.gz ZNXIFLSHPMDYAI-DQEYMECFSA-N 0 0 486.553 5.826 40 5 JKBBRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000223858243 569925356 /nfs/dbraw/zinc/92/53/56/569925356.db2.gz PJJSSIAGBRAQDK-FQEVSTJZSA-N 0 0 480.392 5.168 40 5 JKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)c1 ZINC000223880827 569926088 /nfs/dbraw/zinc/92/60/88/569926088.db2.gz VQCYRGUTTFWNHL-DHIUTWEWSA-N 0 0 458.499 5.133 40 5 JKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(O)cc3)o2)cc1 ZINC000223881067 569926098 /nfs/dbraw/zinc/92/60/98/569926098.db2.gz XLPRHRMBLZTBNF-DHIUTWEWSA-N 0 0 458.499 5.133 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000223911478 569927024 /nfs/dbraw/zinc/92/70/24/569927024.db2.gz NJRJIWMBYGOTBH-JWQCQUIFSA-N 0 0 485.569 5.493 40 5 JKBBRN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 ZINC000223918461 569927226 /nfs/dbraw/zinc/92/72/26/569927226.db2.gz JKNXNTMNWYRXGA-RPBOFIJWSA-N 0 0 485.569 5.493 40 5 JKBBRN CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000223997834 569929856 /nfs/dbraw/zinc/92/98/56/569929856.db2.gz 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ZINC000224354858 569941704 /nfs/dbraw/zinc/94/17/04/569941704.db2.gz ZNRRVLOPLLMZQZ-LOSJGSFVSA-N 0 0 470.554 5.989 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc([N+](=O)[O-])c2)cc1 ZINC000224377903 569942508 /nfs/dbraw/zinc/94/25/08/569942508.db2.gz DLCMXWGCJHAYBT-UIOOFZCWSA-N 0 0 483.597 6.081 40 5 JKBBRN CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224386822 569942899 /nfs/dbraw/zinc/94/28/99/569942899.db2.gz CPBDHFXDHFVSQH-IZZNHLLZSA-N 0 0 484.581 6.550 40 5 JKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 ZINC000224409748 569943764 /nfs/dbraw/zinc/94/37/64/569943764.db2.gz NWJABVQZOFLTJB-PKTZIBPZSA-N 0 0 459.506 5.097 40 5 JKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)o1 ZINC000224411940 569943808 /nfs/dbraw/zinc/94/38/08/569943808.db2.gz XJNYBLAIYLFYDM-DHIUTWEWSA-N 0 0 460.490 5.566 40 5 JKBBRN 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CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116559 570134278 /nfs/dbraw/zinc/13/42/78/570134278.db2.gz JKTKOGVWHASTQZ-UHFFFAOYSA-N 0 0 461.345 6.800 40 5 JKBBRN CCc1ccccc1NCc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409116727 570134402 /nfs/dbraw/zinc/13/44/02/570134402.db2.gz KCUJZNFZYNYFNM-UHFFFAOYSA-N 0 0 471.351 6.119 40 5 JKBBRN Cc1cc(I)ccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409117651 570134604 /nfs/dbraw/zinc/13/46/04/570134604.db2.gz OJKBDCYSLGNYLA-XSFVSMFZSA-N 0 0 484.293 5.687 40 5 JKBBRN CCCc1sc2nc(SCc3cccc([N+](=O)[O-])c3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C ZINC000409119724 570135346 /nfs/dbraw/zinc/13/53/46/570135346.db2.gz UBFXEGJSAOHGSU-UHFFFAOYSA-N 0 0 479.627 6.525 40 5 JKBBRN COc1ccccc1[C@H]1N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2C(=O)N1Cc1ccccc1 ZINC000409120440 570135554 /nfs/dbraw/zinc/13/55/54/570135554.db2.gz VRJOBVHXHPEZLG-NDEPHWFRSA-N 0 0 479.536 5.965 40 5 JKBBRN CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409120963 570135797 /nfs/dbraw/zinc/13/57/97/570135797.db2.gz XJDOKPWSBLTKDS-UHFFFAOYSA-N 0 0 485.378 6.564 40 5 JKBBRN COc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409121574 570136037 /nfs/dbraw/zinc/13/60/37/570136037.db2.gz YNSRPSHCFHERRC-UHFFFAOYSA-N 0 0 491.769 6.519 40 5 JKBBRN COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409127838 570138836 /nfs/dbraw/zinc/13/88/36/570138836.db2.gz KBPLPQJWSFVYQS-UDWIEESQSA-N 0 0 469.519 5.407 40 5 JKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1CCCc1ccccc1 ZINC000409128970 570139330 /nfs/dbraw/zinc/13/93/30/570139330.db2.gz JMZJLQWCDNKREB-KGENOOAVSA-N 0 0 468.918 6.177 40 5 JKBBRN O=C1S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1CC1CCCCC1 ZINC000409130883 570140019 /nfs/dbraw/zinc/14/00/19/570140019.db2.gz NZTVPEXANCMQHN-HYARGMPZSA-N 0 0 452.532 5.790 40 5 JKBBRN Cc1cccc([C@@H]2N(Cc3ccccc3)c3ccc([N+](=O)[O-])cc3C(=O)N2Cc2ccccc2)c1 ZINC000409131452 570140346 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/nfs/dbraw/zinc/15/50/89/570155089.db2.gz DEJNSSAFQMQUAR-NHDPSOOVSA-N 0 0 468.918 6.362 40 5 JKBBRN COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000409171936 570155157 /nfs/dbraw/zinc/15/51/57/570155157.db2.gz FDGQPYJPLOFSJI-UHFFFAOYSA-N 0 0 461.499 5.558 40 5 JKBBRN CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000409171929 570155165 /nfs/dbraw/zinc/15/51/65/570155165.db2.gz DWVCYQVTHCMNKP-UHFFFAOYSA-N 0 0 469.833 5.006 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000409171951 570155172 /nfs/dbraw/zinc/15/51/72/570155172.db2.gz FHMIMABHSIGDPC-UHFFFAOYSA-N 0 0 473.235 5.415 40 5 JKBBRN Cc1ccc(NCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409173968 570156078 /nfs/dbraw/zinc/15/60/78/570156078.db2.gz QLMNCXPBEWTFCS-NDEPHWFRSA-N 0 0 480.520 6.296 40 5 JKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1c2ccccc2nc2c1CCCC2 ZINC000409174280 570156212 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/nfs/dbraw/zinc/15/73/89/570157389.db2.gz AGBILVLXSHOBIR-VWLOTQADSA-N 0 0 480.904 5.443 40 5 JKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccccc3S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000409177402 570157484 /nfs/dbraw/zinc/15/74/84/570157484.db2.gz DHURJQWNUCNBQH-UHFFFAOYSA-N 0 0 473.506 5.622 40 5 JKBBRN O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409177674 570157639 /nfs/dbraw/zinc/15/76/39/570157639.db2.gz HTJYAGZXBTZOLJ-UHFFFAOYSA-N 0 0 475.284 5.276 40 5 JKBBRN O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc2cccnc21 ZINC000409178575 570157985 /nfs/dbraw/zinc/15/79/85/570157985.db2.gz GWPUSSDFKRXJIK-HHHXNRCGSA-N 0 0 483.480 5.029 40 5 JKBBRN Cc1cccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409178873 570158131 /nfs/dbraw/zinc/15/81/31/570158131.db2.gz OBLHFOCTQNTCPO-MUUNZHRXSA-N 0 0 481.504 6.263 40 5 JKBBRN O=C(Nc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1)c1ccccc1 ZINC000409179214 570158193 /nfs/dbraw/zinc/15/81/93/570158193.db2.gz QIWVENJGUARROV-UHFFFAOYSA-N 0 0 468.465 5.996 40 5 JKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc21 ZINC000409179524 570158360 /nfs/dbraw/zinc/15/83/60/570158360.db2.gz RVTBTRHSFYMSQP-UHFFFAOYSA-N 0 0 453.281 6.474 40 5 JKBBRN CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000409179438 570158361 /nfs/dbraw/zinc/15/83/61/570158361.db2.gz NMMZHPWYZALIOQ-FYJGNVAPSA-N 0 0 477.498 5.092 40 5 JKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O ZINC000409179772 570158532 /nfs/dbraw/zinc/15/85/32/570158532.db2.gz SHPWKBGYGVRLKP-UHFFFAOYSA-N 0 0 478.460 5.342 40 5 JKBBRN O=C(Nc1ccccc1C(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1 ZINC000409180395 570158849 /nfs/dbraw/zinc/15/88/49/570158849.db2.gz WWSPLUQYYIFWLJ-UHFFFAOYSA-N 0 0 468.465 5.996 40 5 JKBBRN Cc1ccc(C(=O)OCc2cccc([N+](=O)[O-])c2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000409180369 570158855 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CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1Cl ZINC000408568186 570204160 /nfs/dbraw/zinc/20/41/60/570204160.db2.gz HVUICMQTNLFVAX-NRFANRHFSA-N 0 0 485.367 6.861 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccc(Cl)cc1 ZINC000408567592 570204174 /nfs/dbraw/zinc/20/41/74/570204174.db2.gz GWZQENKZSWYNDR-QHCPKHFHSA-N 0 0 480.977 5.918 40 5 JKBBRN CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000409331218 570204332 /nfs/dbraw/zinc/20/43/32/570204332.db2.gz DHGYXSJLJQEOJG-UHFFFAOYSA-N 0 0 468.630 6.381 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1cccc(C)c1 ZINC000408569578 570204410 /nfs/dbraw/zinc/20/44/10/570204410.db2.gz JQUJYZCNCZMYMB-RUZDIDTESA-N 0 0 474.586 5.882 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Br)cc1 ZINC000408569843 570204446 /nfs/dbraw/zinc/20/44/46/570204446.db2.gz JYFWXQHVYZOBEV-JOCHJYFZSA-N 0 0 495.373 6.317 40 5 JKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Cl)c(OCC)c(Cl)c2)cc1 ZINC000408569845 570204477 /nfs/dbraw/zinc/20/44/77/570204477.db2.gz JYLSZANLHRSYAZ-IBGZPJMESA-N 0 0 497.404 5.790 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(C)c(C)c1 ZINC000408570901 570204597 /nfs/dbraw/zinc/20/45/97/570204597.db2.gz MGMFSFXDYYWCBQ-RUZDIDTESA-N 0 0 492.576 6.021 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)n1-c1ccccc1 ZINC000408571005 570204599 /nfs/dbraw/zinc/20/45/99/570204599.db2.gz MSCHETYUZNNNCF-HSZRJFAPSA-N 0 0 491.529 5.173 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)cc1 ZINC000408570673 570204638 /nfs/dbraw/zinc/20/46/38/570204638.db2.gz LVCYSORLECJMGS-DEOSSOPVSA-N 0 0 476.558 5.273 40 5 JKBBRN CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl ZINC000408570887 570204640 /nfs/dbraw/zinc/20/46/40/570204640.db2.gz MEJNIOPEJPQFRD-KRWDZBQOSA-N 0 0 471.341 5.530 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408571030 570204641 /nfs/dbraw/zinc/20/46/41/570204641.db2.gz MWUUHIQZJPPCFN-VWLOTQADSA-N 0 0 474.586 5.882 40 5 JKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 ZINC000408571119 570204667 /nfs/dbraw/zinc/20/46/67/570204667.db2.gz NRISGWKQSXFGSH-SFHVURJKSA-N 0 0 475.759 7.116 40 5 JKBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Br ZINC000408571163 570204675 /nfs/dbraw/zinc/20/46/75/570204675.db2.gz NYNOALISHWOAML-KRWDZBQOSA-N 0 0 483.775 5.110 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)n1-c1ccccc1 ZINC000408571124 570204692 /nfs/dbraw/zinc/20/46/92/570204692.db2.gz NRXBKDAWJZTFLN-HSZRJFAPSA-N 0 0 464.522 5.404 40 5 JKBBRN CCOc1ccc(Br)cc1[C@@H](C[N+](=O)[O-])Sc1nnc(C)n1-c1ccc(C)c(C)c1 ZINC000408571405 570204751 /nfs/dbraw/zinc/20/47/51/570204751.db2.gz OQEVHBHUUJTOCK-HXUWFJFHSA-N 0 0 491.411 5.464 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1 ZINC000408571882 570204837 /nfs/dbraw/zinc/20/48/37/570204837.db2.gz PUJLBYCYRGLXIW-FQEVSTJZSA-N 0 0 481.346 5.927 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2Cl)n1-c1ccc(C)cc1 ZINC000408572008 570204838 /nfs/dbraw/zinc/20/48/38/570204838.db2.gz QJHHGPAXBCFIKI-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCc1ccccc1 ZINC000408571887 570204857 /nfs/dbraw/zinc/20/48/57/570204857.db2.gz PUJLBYCYRGLXIW-HXUWFJFHSA-N 0 0 481.346 5.927 40 5 JKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408572329 570204907 /nfs/dbraw/zinc/20/49/07/570204907.db2.gz QXLGNGBIENKJQE-IBGZPJMESA-N 0 0 471.340 6.471 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3cccc(F)c3)cc2)n1-c1ccccc1 ZINC000408572425 570204932 /nfs/dbraw/zinc/20/49/32/570204932.db2.gz RDMDIHSCLALDSU-QHCPKHFHSA-N 0 0 464.522 5.404 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3Cl)cc2)n1-c1cccc(C)c1 ZINC000408572454 570204936 /nfs/dbraw/zinc/20/49/36/570204936.db2.gz RFIKWMQFOJDMEN-XMMPIXPASA-N 0 0 495.004 6.227 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(C)cc3)cc2)n1-c1ccc(C)c(C)c1 ZINC000408572667 570204983 /nfs/dbraw/zinc/20/49/83/570204983.db2.gz RRPYVYSGKWPKDB-AREMUKBSSA-N 0 0 488.613 6.190 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3F)cc2)n1-c1ccc(C)cc1 ZINC000408572734 570205009 /nfs/dbraw/zinc/20/50/09/570205009.db2.gz RXMOLDOFYJFLNK-DEOSSOPVSA-N 0 0 478.549 5.712 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1Cl ZINC000408573464 570205147 /nfs/dbraw/zinc/20/51/47/570205147.db2.gz SYDLNWKVXKDNED-QGZVFWFLSA-N 0 0 453.351 5.391 40 5 JKBBRN Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1Cl ZINC000408573317 570205153 /nfs/dbraw/zinc/20/51/53/570205153.db2.gz BAJKSBIBFMYLIU-UHFFFAOYSA-N 0 0 480.329 5.263 40 5 JKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1Cl ZINC000408573568 570205261 /nfs/dbraw/zinc/20/52/61/570205261.db2.gz TWSWDHXQJCXKLS-OAQYLSRUSA-N 0 0 450.922 6.208 40 5 JKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000408574010 570205271 /nfs/dbraw/zinc/20/52/71/570205271.db2.gz UJWVNKZOQUCUAE-XMMPIXPASA-N 0 0 494.548 5.413 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccc(C)cc1 ZINC000408574536 570205485 /nfs/dbraw/zinc/20/54/85/570205485.db2.gz VDJFSYLJIJFYPB-DEOSSOPVSA-N 0 0 460.559 5.573 40 5 JKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 ZINC000408575352 570205654 /nfs/dbraw/zinc/20/56/54/570205654.db2.gz WAMGGLFWHFMJGV-QHCPKHFHSA-N 0 0 498.967 6.057 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2F)n1-c1ccc(Cl)cc1 ZINC000408576564 570205982 /nfs/dbraw/zinc/20/59/82/570205982.db2.gz XSFCMFRNQKOMGP-HSZRJFAPSA-N 0 0 498.967 6.057 40 5 JKBBRN CCOc1c(Cl)cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl ZINC000408577121 570206057 /nfs/dbraw/zinc/20/60/57/570206057.db2.gz YOOLHNQHFCEHBO-GOSISDBHSA-N 0 0 467.378 5.700 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000408576693 570206027 /nfs/dbraw/zinc/20/60/27/570206027.db2.gz YBMQSSQDAPGEOE-HXUWFJFHSA-N 0 0 451.866 5.717 40 5 JKBBRN CCOc1c(Cl)cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl ZINC000408577125 570206061 /nfs/dbraw/zinc/20/60/61/570206061.db2.gz YOOLHNQHFCEHBO-SFHVURJKSA-N 0 0 467.378 5.700 40 5 JKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1cc(Br)ccc1OCc1ccccc1 ZINC000408577287 570206113 /nfs/dbraw/zinc/20/61/13/570206113.db2.gz YYCGFVNGLMFIJT-OAQYLSRUSA-N 0 0 451.320 5.918 40 5 JKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2cccc(F)c2)n1-c1cccc(C)c1 ZINC000408577781 570206199 /nfs/dbraw/zinc/20/61/99/570206199.db2.gz ZWHUSYKSUHJKQT-XMMPIXPASA-N 0 0 478.549 5.712 40 5 JKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000408583856 570207404 /nfs/dbraw/zinc/20/74/04/570207404.db2.gz XVTHIOPUYZUGQQ-UHFFFAOYSA-N 0 0 498.870 5.463 40 5 JKBBRN