smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)c1ccc2c(c1)[o+]c1cc(N(CC)CC)ccc1c2-c1ccccc1C(=O)[O-] ZINC000003860707 291403937 /nfs/dbraw/zinc/40/39/37/291403937.db2.gz CVAVMIODJQHEEH-UHFFFAOYSA-O 0 0 443.567 5.561 40 5 endogenous,in-man IKBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372860 132335654 /nfs/dbraw/zinc/33/56/54/132335654.db2.gz RGEARARAYYKLBZ-UHFFFAOYSA-N 0 0 427.932 5.689 40 5 IKBBRN CC(C)c1ccc([C@@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020550260 519839509 /nfs/dbraw/zinc/83/95/09/519839509.db2.gz JHHOCBPCDASKOH-DEOSSOPVSA-N 0 0 430.464 5.982 40 5 IKBBRN CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000015015445 520109887 /nfs/dbraw/zinc/10/98/87/520109887.db2.gz MGVZSEZJSBRLQL-FQEVSTJZSA-N 0 0 437.525 5.622 40 5 IKBBRN CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1 ZINC000022529025 521267477 /nfs/dbraw/zinc/26/74/77/521267477.db2.gz NTHJHLITAPOLKF-UHFFFAOYSA-N 0 0 449.898 5.577 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000001839963 522044543 /nfs/dbraw/zinc/04/45/43/522044543.db2.gz VXNBBKLOOUDURJ-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN COc1cc(C2=N/C(=C/c3c4ccccc4cc4ccccc43)C(=O)O2)cc(OC)c1OC ZINC000033409538 522306942 /nfs/dbraw/zinc/30/69/42/522306942.db2.gz RIGCJUZKQVSEIT-PXLXIMEGSA-N 0 0 439.467 5.363 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000001839962 522430777 /nfs/dbraw/zinc/43/07/77/522430777.db2.gz VXNBBKLOOUDURJ-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000012418960 522981930 /nfs/dbraw/zinc/98/19/30/522981930.db2.gz YWCVAIYXNMEGRG-UHFFFAOYSA-N 0 0 437.235 5.335 40 5 IKBBRN Cc1ccc(C)c2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccccc3)nc12 ZINC000012485330 524214475 /nfs/dbraw/zinc/21/44/75/524214475.db2.gz KSDOHKQPANTHNZ-UHFFFAOYSA-N 0 0 444.516 5.553 40 5 IKBBRN COc1ccc([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000022524943 525128561 /nfs/dbraw/zinc/12/85/61/525128561.db2.gz NCOWBPMRJVNRKV-HRKXOBMBSA-N 0 0 432.476 5.030 40 5 IKBBRN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020970457 525229764 /nfs/dbraw/zinc/22/97/64/525229764.db2.gz KLCWBSIKIOAYMG-QHCPKHFHSA-N 0 0 439.475 5.181 40 5 IKBBRN Cc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020970453 525231229 /nfs/dbraw/zinc/23/12/29/525231229.db2.gz KLCWBSIKIOAYMG-HSZRJFAPSA-N 0 0 439.475 5.181 40 5 IKBBRN Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc54)nc3cc2C)cc1[N+](=O)[O-] ZINC000016347866 526219095 /nfs/dbraw/zinc/21/90/95/526219095.db2.gz RUTWKAPKLDRNHA-UHFFFAOYSA-N 0 0 437.459 5.351 40 5 IKBBRN O=C(Oc1cc([N+](=O)[O-])c(Cl)cc1Cl)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000033506462 526437593 /nfs/dbraw/zinc/43/75/93/526437593.db2.gz CVUDBPILLYLOSC-UHFFFAOYSA-N 0 0 441.994 5.694 40 5 in-vitro IKBBRN Clc1ccc(-c2nc3nc(-c4ccccc4)cc4c5ccccc5oc(n2)c34)c(Cl)c1 ZINC000016492818 526936415 /nfs/dbraw/zinc/93/64/15/526936415.db2.gz VZKTZOFVQRZFFJ-UHFFFAOYSA-N 0 0 442.305 7.565 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccc(Cl)cc2)cc1/C=C/c1ccc(Cl)cc1 ZINC000001714403 527339570 /nfs/dbraw/zinc/33/95/70/527339570.db2.gz DQXLCWYBKTXKQI-FACPPWRESA-N 0 0 441.270 7.151 40 5 IKBBRN O=[N+]([O-])c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c4ccccc4ccc32)cc1 ZINC000012485557 527347390 /nfs/dbraw/zinc/34/73/90/527347390.db2.gz KJKUXLZRMIJXQZ-UHFFFAOYSA-N 0 0 426.863 5.835 40 5 IKBBRN O=C(Nc1ccccc1)Nc1ccc2cc3ccc(NC(=O)Nc4ccccc4)cc3nc2c1 ZINC000016489640 527396163 /nfs/dbraw/zinc/39/61/63/527396163.db2.gz UGIVUPZGMGMNLT-UHFFFAOYSA-N 0 0 447.498 6.676 40 5 IKBBRN O=C(OCc1cccc2ccc3cccc(COC(=O)c4ccccc4)c3c21)c1ccccc1 ZINC000001600708 555705280 /nfs/dbraw/zinc/70/52/80/555705280.db2.gz USMCYEPEYOCYEO-UHFFFAOYSA-N 0 0 446.502 6.707 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408558370 555897471 /nfs/dbraw/zinc/89/74/71/555897471.db2.gz UCUMSTQHNZWQOR-UHFFFAOYSA-N 0 0 426.900 6.146 40 5 IKBBRN CCCOc1c(Br)cc(CNc2cccc([N+](=O)[O-])c2)cc1Br ZINC000408558594 555897725 /nfs/dbraw/zinc/89/77/25/555897725.db2.gz RWIMUJNAWJMDTP-UHFFFAOYSA-N 0 0 444.123 5.521 40 5 IKBBRN Cc1ccc2c(c1)nc1cc3c(cc1n2C1CCCCC1)c(Cl)c(=O)c1ccccc13 ZINC000005390004 556049569 /nfs/dbraw/zinc/04/95/69/556049569.db2.gz CAHSOFBNCNUIHS-UHFFFAOYSA-N 0 0 426.947 7.323 40 5 IKBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] ZINC000059961025 556392711 /nfs/dbraw/zinc/39/27/11/556392711.db2.gz AHMYMHAFDCSGTI-UHFFFAOYSA-N 0 0 426.538 5.172 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2NC(=O)c2ccco2)cc1 ZINC000032624654 556409396 /nfs/dbraw/zinc/40/93/96/556409396.db2.gz REYMXKVCSIZVGN-UHFFFAOYSA-N 0 0 448.460 5.124 40 5 IKBBRN Cc1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Br ZINC000408907451 556494453 /nfs/dbraw/zinc/49/44/53/556494453.db2.gz OHORCJSJXFRXGN-XSFVSMFZSA-N 0 0 437.293 5.845 40 5 IKBBRN O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907209 556494479 /nfs/dbraw/zinc/49/44/79/556494479.db2.gz MTCPCMAQCCZUPA-UDWIEESQSA-N 0 0 427.287 5.759 40 5 IKBBRN O=[N+]([O-])c1ccc2c(c1)nc(SCc1ccccc1Cl)n2Cc1ccccc1Cl ZINC000016450189 556609534 /nfs/dbraw/zinc/60/95/34/556609534.db2.gz MXAGWMYHXNTRSK-UHFFFAOYSA-N 0 0 444.343 6.592 40 5 IKBBRN COc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408975085 556615669 /nfs/dbraw/zinc/61/56/69/556615669.db2.gz JVHHXMHLDNNHTF-UHFFFAOYSA-N 0 0 446.470 5.532 40 5 IKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000409054316 556629322 /nfs/dbraw/zinc/62/93/22/556629322.db2.gz URFSPISIFUFWOP-UHFFFAOYSA-N 0 0 449.463 5.785 40 5 IKBBRN CCCCc1nc2c(ncc(NC(=O)c3ccccc3)c2C)n1Cc1cccc([N+](=O)[O-])c1 ZINC000013500041 556630132 /nfs/dbraw/zinc/63/01/32/556630132.db2.gz DVHAPYBJLDGTHO-UHFFFAOYSA-N 0 0 443.507 5.291 40 5 IKBBRN Cc1ccc(C)c(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 ZINC000409111487 556630608 /nfs/dbraw/zinc/63/06/08/556630608.db2.gz CLAANNGZFBEWAW-UHFFFAOYSA-N 0 0 441.325 6.165 40 5 IKBBRN O=C(NCc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408977741 556631409 /nfs/dbraw/zinc/63/14/09/556631409.db2.gz XJAQSKKZJZPCNU-UHFFFAOYSA-N 0 0 430.471 5.201 40 5 IKBBRN COc1ccccc1/C=C\c1cc(/C=C\c2ccccc2OC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005080550 556631557 /nfs/dbraw/zinc/63/15/57/556631557.db2.gz QOUIKXZFYIGUNQ-XSYHWHKQSA-N 0 0 432.432 5.861 40 5 IKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409180467 556632997 /nfs/dbraw/zinc/63/29/97/556632997.db2.gz TYXCSNMIVDFATP-UHFFFAOYSA-N 0 0 425.440 6.334 40 5 IKBBRN O=Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 ZINC000226767727 556685381 /nfs/dbraw/zinc/68/53/81/556685381.db2.gz FRBWSODVMSQMHH-UHFFFAOYSA-N 0 0 439.221 5.073 40 5 IKBBRN O=c1[nH]c(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCCC3 ZINC000408987608 556691533 /nfs/dbraw/zinc/69/15/33/556691533.db2.gz FXAGFWCYBICQRM-UHFFFAOYSA-N 0 0 447.516 5.820 40 5 IKBBRN O=c1[nH]c(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCC3 ZINC000408988426 556693944 /nfs/dbraw/zinc/69/39/44/556693944.db2.gz HYHVTVUPOURGQT-UHFFFAOYSA-N 0 0 441.896 6.154 40 5 IKBBRN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C)c([N+](=O)[O-])c4)OC3=O)cc2)cc1 ZINC000013616013 556702242 /nfs/dbraw/zinc/70/22/42/556702242.db2.gz QTQKMWSVUHHWGV-XKZIYDEJSA-N 0 0 428.444 5.135 40 5 IKBBRN O=c1[nH]c(-c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3 ZINC000408991745 556708573 /nfs/dbraw/zinc/70/85/73/556708573.db2.gz PEAUNFLLTCEZPQ-UHFFFAOYSA-N 0 0 436.518 5.397 40 5 IKBBRN C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013668891 556709827 /nfs/dbraw/zinc/70/98/27/556709827.db2.gz GOEAKJDFOLXTQU-YSRPOPIVSA-N 0 0 428.532 6.310 40 5 IKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409017456 556721380 /nfs/dbraw/zinc/72/13/80/556721380.db2.gz WTMHYUPDPAJBMF-PVGUKEHMSA-N 0 0 442.493 5.017 40 5 IKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409021149 556723376 /nfs/dbraw/zinc/72/33/76/556723376.db2.gz YICKYYYJNULQKI-SGEFVQMOSA-N 0 0 443.437 5.130 40 5 IKBBRN O=C(Nc1ccccc1C(=O)N1CCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409024362 556724913 /nfs/dbraw/zinc/72/49/13/556724913.db2.gz KIDXDDHDEDKQFQ-PTGBLXJZSA-N 0 0 441.487 5.010 40 5 IKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1cccs1 ZINC000409051891 556757363 /nfs/dbraw/zinc/75/73/63/556757363.db2.gz OCLBFDPLMIBOKS-UHFFFAOYSA-N 0 0 425.466 5.838 40 5 IKBBRN COc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000409053907 556757970 /nfs/dbraw/zinc/75/79/70/556757970.db2.gz DLIBFEAQATVDBR-UHFFFAOYSA-N 0 0 437.502 5.708 40 5 IKBBRN Cc1cc(C)c2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NCc1ccccc1 ZINC000001327810 556773430 /nfs/dbraw/zinc/77/34/30/556773430.db2.gz IKSZWGVKBDBFLN-UHFFFAOYSA-N 0 0 444.585 5.418 40 5 IKBBRN Cc1cc(C)c2nc3sc4c(ncnc4SCC(=O)NCc4ccccc4)c3cc2c1 ZINC000001327808 556773442 /nfs/dbraw/zinc/77/34/42/556773442.db2.gz JOHBUEOVJKDNAG-UHFFFAOYSA-N 0 0 444.585 5.418 40 5 IKBBRN Cc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409110053 556800252 /nfs/dbraw/zinc/80/02/52/556800252.db2.gz QJBURWVBYRGRRJ-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2ccccc21 ZINC000409110998 556801608 /nfs/dbraw/zinc/80/16/08/556801608.db2.gz ANUFGPBGRBZSSH-STZFKDTASA-N 0 0 448.906 6.124 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 ZINC000409111054 556801613 /nfs/dbraw/zinc/80/16/13/556801613.db2.gz BKIMUJNCPLWFBN-UHFFFAOYSA-N 0 0 426.472 6.578 40 5 IKBBRN COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409114495 556804899 /nfs/dbraw/zinc/80/48/99/556804899.db2.gz JZVMXAYFHKCUJZ-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C ZINC000409119701 556813662 /nfs/dbraw/zinc/81/36/62/556813662.db2.gz QLYYJDQFBZVJAJ-UHFFFAOYSA-N 0 0 431.319 6.710 40 5 IKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408772133 556847583 /nfs/dbraw/zinc/84/75/83/556847583.db2.gz BJZQWGIXFIOHOY-VZIOXZNFSA-N 0 0 435.505 5.325 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000408812830 556862978 /nfs/dbraw/zinc/86/29/78/556862978.db2.gz PPSMOIUFGQSGED-WQRHYEAKSA-N 0 0 437.389 5.004 40 5 IKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc1 ZINC000408823116 556865515 /nfs/dbraw/zinc/86/55/15/556865515.db2.gz DRNLVORNDSXBSX-UHFFFAOYSA-N 0 0 445.500 5.955 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccc3C)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408822143 556866174 /nfs/dbraw/zinc/86/61/74/556866174.db2.gz LBWWQTWMSDNHAN-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN O=C(Oc1ccc(Cl)cc1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408976386 556906212 /nfs/dbraw/zinc/90/62/12/556906212.db2.gz QWZQBWMSDWKFQV-UHFFFAOYSA-N 0 0 436.858 5.752 40 5 IKBBRN COc1cc2nc3ccc(NC(=S)Nc4ccc5ccccc5c4)cc3nc2cc1OC ZINC000408987441 556910245 /nfs/dbraw/zinc/91/02/45/556910245.db2.gz BAMDENLEVIVKKH-UHFFFAOYSA-N 0 0 440.528 5.762 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)o1 ZINC000408988449 556910698 /nfs/dbraw/zinc/91/06/98/556910698.db2.gz HZWAVMMSLMGOLD-UHFFFAOYSA-N 0 0 435.505 6.200 40 5 IKBBRN COc1cc2nc3ccc(NC(=S)Nc4cccc5ccccc54)cc3nc2cc1OC ZINC000408996013 556912285 /nfs/dbraw/zinc/91/22/85/556912285.db2.gz CNDRMSBWMIFGMA-UHFFFAOYSA-N 0 0 440.528 5.762 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409075129 556943499 /nfs/dbraw/zinc/94/34/99/556943499.db2.gz UWNTWVWLMMSEBM-LICLKQGHSA-N 0 0 444.230 5.259 40 5 IKBBRN O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409101733 556956000 /nfs/dbraw/zinc/95/60/00/556956000.db2.gz XNSZYSJXGRMJDG-JAIQZWGSSA-N 0 0 440.377 5.685 40 5 IKBBRN COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409113428 556958345 /nfs/dbraw/zinc/95/83/45/556958345.db2.gz AUGPZOTXXWSSAA-UHFFFAOYSA-N 0 0 426.900 6.065 40 5 IKBBRN CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409116591 556959850 /nfs/dbraw/zinc/95/98/50/556959850.db2.gz JNMZTGNKKZIWRU-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1cccc(Cl)c1 ZINC000409119782 556961152 /nfs/dbraw/zinc/96/11/52/556961152.db2.gz SVTACPAXTOPEPY-MHWRWJLKSA-N 0 0 444.230 5.259 40 5 IKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C ZINC000409120690 556961298 /nfs/dbraw/zinc/96/12/98/556961298.db2.gz VRSMZBWMONPPJQ-UHFFFAOYSA-N 0 0 441.325 6.165 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)o1 ZINC000409130880 556967740 /nfs/dbraw/zinc/96/77/40/556967740.db2.gz WYOXHGZYIAKAHD-JCMHNJIXSA-N 0 0 448.500 5.832 40 5 IKBBRN Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000409133383 556968222 /nfs/dbraw/zinc/96/82/22/556968222.db2.gz MEWUIKCLCWKTNI-UHFFFAOYSA-N 0 0 431.319 6.710 40 5 IKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409177864 556986574 /nfs/dbraw/zinc/98/65/74/556986574.db2.gz JVSHWTCCRUNVES-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN Cc1ccccc1NC(=O)CCC(=O)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178150 556986956 /nfs/dbraw/zinc/98/69/56/556986956.db2.gz KWNHLGJORGXXAT-UHFFFAOYSA-N 0 0 434.448 5.158 40 5 IKBBRN O=C(Nc1ncc(-c2cc3ccccc3c(-c3ccccc3)c2)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000409179829 556987754 /nfs/dbraw/zinc/98/77/54/556987754.db2.gz NULSYOHDAZLHGY-UHFFFAOYSA-N 0 0 446.466 6.124 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000409181605 556989617 /nfs/dbraw/zinc/98/96/17/556989617.db2.gz DLGMCBPAAICLBF-UHFFFAOYSA-N 0 0 432.476 5.502 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O ZINC000409175274 556992026 /nfs/dbraw/zinc/99/20/26/556992026.db2.gz YTAFVMBFWKDLGA-XMMPIXPASA-N 0 0 427.412 5.235 40 5 IKBBRN CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409198778 556995721 /nfs/dbraw/zinc/99/57/21/556995721.db2.gz FHENHKTYPWDWGZ-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000409178617 556997065 /nfs/dbraw/zinc/99/70/65/556997065.db2.gz NGCYDFRTGUWZOG-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409208716 556997735 /nfs/dbraw/zinc/99/77/35/556997735.db2.gz CQCOJLCLIAHESY-KGENOOAVSA-N 0 0 434.473 5.442 40 5 IKBBRN O=C1S/C(=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1 ZINC000409199207 556998515 /nfs/dbraw/zinc/99/85/15/556998515.db2.gz BTSHAHLHSTVGSB-MKMNVTDBSA-N 0 0 429.668 5.796 40 5 IKBBRN CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409181662 557002690 /nfs/dbraw/zinc/00/26/90/557002690.db2.gz FSNCQGLNMHUMJI-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409182109 557002907 /nfs/dbraw/zinc/00/29/07/557002907.db2.gz IYKUUEHWFJLAAR-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000409182874 557003170 /nfs/dbraw/zinc/00/31/70/557003170.db2.gz PLAYWZCHBQZYSK-HHHXNRCGSA-N 0 0 449.510 6.269 40 5 IKBBRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000409196638 557010882 /nfs/dbraw/zinc/01/08/82/557010882.db2.gz QNADVDVCLGHXQE-IZHYLOQSSA-N 0 0 445.500 5.079 40 5 IKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000409209519 557020366 /nfs/dbraw/zinc/02/03/66/557020366.db2.gz GAZCRIAEZFWUNO-HYARGMPZSA-N 0 0 448.500 5.751 40 5 IKBBRN Cc1noc(/C=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000408542270 557033689 /nfs/dbraw/zinc/03/36/89/557033689.db2.gz IPASXJFOIIPOPE-VURMDHGXSA-N 0 0 435.314 5.781 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 ZINC000408553571 557036084 /nfs/dbraw/zinc/03/60/84/557036084.db2.gz AKIGWUNDDHTITO-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 ZINC000408553705 557036412 /nfs/dbraw/zinc/03/64/12/557036412.db2.gz AXISQXNNKQOEOA-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc2ccccc21 ZINC000408557756 557037926 /nfs/dbraw/zinc/03/79/26/557037926.db2.gz ORQAGNHBSNLSNH-UHFFFAOYSA-N 0 0 428.488 6.338 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)cc1 ZINC000408559637 557038723 /nfs/dbraw/zinc/03/87/23/557038723.db2.gz ALXFPYPLFUHUGM-GYHWCHFESA-N 0 0 443.956 5.800 40 5 IKBBRN Cc1cccc(N2CCN(C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)CC2)c1C ZINC000408564271 557039279 /nfs/dbraw/zinc/03/92/79/557039279.db2.gz URDPPTOJEWGFNX-NCELDCMTSA-N 0 0 441.531 5.101 40 5 IKBBRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408560591 557039331 /nfs/dbraw/zinc/03/93/31/557039331.db2.gz DNAVBNMNHZHARB-UHFFFAOYSA-N 0 0 427.791 5.643 40 5 IKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408564501 557039350 /nfs/dbraw/zinc/03/93/50/557039350.db2.gz YWQGSCYHTKBSJG-ATJXCDBQSA-N 0 0 433.892 5.241 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccccc1 ZINC000408562102 557039956 /nfs/dbraw/zinc/03/99/56/557039956.db2.gz MSVGVBAFSOEXES-LNVKXUELSA-N 0 0 429.929 5.492 40 5 IKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000408572055 557040883 /nfs/dbraw/zinc/04/08/83/557040883.db2.gz QNDADSROBHFNKW-HSZRJFAPSA-N 0 0 430.504 5.863 40 5 IKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408566685 557041666 /nfs/dbraw/zinc/04/16/66/557041666.db2.gz FZCNYPYVXJBYFH-IBGZPJMESA-N 0 0 441.314 6.462 40 5 IKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc(F)c1 ZINC000408570571 557041898 /nfs/dbraw/zinc/04/18/98/557041898.db2.gz LKWPUGFFDYKCPH-JOCHJYFZSA-N 0 0 434.467 5.693 40 5 IKBBRN COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408569547 557041902 /nfs/dbraw/zinc/04/19/02/557041902.db2.gz JMHXOAPCSKZTHB-QGZVFWFLSA-N 0 0 439.324 5.001 40 5 IKBBRN CC(C)(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408573369 557042016 /nfs/dbraw/zinc/04/20/16/557042016.db2.gz CXHPYTGYELNQBB-OQKWZONESA-N 0 0 443.503 5.302 40 5 IKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408569982 557042032 /nfs/dbraw/zinc/04/20/32/557042032.db2.gz KLYHBTMISSRRQQ-HXUWFJFHSA-N 0 0 441.314 6.462 40 5 IKBBRN O=C(COc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408611453 557066363 /nfs/dbraw/zinc/06/63/63/557066363.db2.gz SFFLDFSGQMTKRW-UHFFFAOYSA-N 0 0 446.290 5.531 40 5 IKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000409340501 557068132 /nfs/dbraw/zinc/06/81/32/557068132.db2.gz YFDYHEYLAGIXCG-SANMLTNESA-N 0 0 435.483 5.961 40 5 IKBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3c(Cl)cccc3Cl)cc2)c1[N+](=O)[O-] ZINC000408606890 557069746 /nfs/dbraw/zinc/06/97/46/557069746.db2.gz RQWPXYKKYYRHEG-JXMROGBWSA-N 0 0 448.262 5.386 40 5 IKBBRN Cc1ccc(COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Br)cc1 ZINC000408607297 557069826 /nfs/dbraw/zinc/06/98/26/557069826.db2.gz KQCHWBVUYYVCPH-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OCc1ccccc1 ZINC000408625165 557071617 /nfs/dbraw/zinc/07/16/17/557071617.db2.gz XCSSQPYGWAZXAL-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OCC ZINC000408618279 557075326 /nfs/dbraw/zinc/07/53/26/557075326.db2.gz FPGXKXOTLWPKJW-UHFFFAOYSA-N 0 0 437.290 5.106 40 5 IKBBRN Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)c1 ZINC000408620145 557075630 /nfs/dbraw/zinc/07/56/30/557075630.db2.gz KPHKGXDIZREXHN-UHFFFAOYSA-N 0 0 433.847 6.840 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409253559 557081271 /nfs/dbraw/zinc/08/12/71/557081271.db2.gz ZPTSJIDXBBWYOJ-HYARGMPZSA-N 0 0 448.500 5.773 40 5 IKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000409384735 557092138 /nfs/dbraw/zinc/09/21/38/557092138.db2.gz CZJBDKYYPVONEQ-UHFFFAOYSA-N 0 0 449.410 5.054 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1 ZINC000408680282 557098439 /nfs/dbraw/zinc/09/84/39/557098439.db2.gz GAKIMPMPHRQRSQ-QFIPXVFZSA-N 0 0 443.908 5.345 40 5 IKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000409329576 557111791 /nfs/dbraw/zinc/11/17/91/557111791.db2.gz GEIMGDUFXCIDMR-SANMLTNESA-N 0 0 435.483 5.961 40 5 IKBBRN Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000408696317 557115659 /nfs/dbraw/zinc/11/56/59/557115659.db2.gz ZRKOPLXVJHTJMV-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN CC(C)(C)c1ccc([C@@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014944881 557123913 /nfs/dbraw/zinc/12/39/13/557123913.db2.gz IPYMILWKSDRFAW-JOCHJYFZSA-N 0 0 446.503 6.047 40 5 IKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000409349298 557128294 /nfs/dbraw/zinc/12/82/94/557128294.db2.gz VOSGENSDEPOGLS-SANMLTNESA-N 0 0 435.483 5.961 40 5 IKBBRN COc1c([N+](=O)[O-])cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] ZINC000021124770 557136114 /nfs/dbraw/zinc/13/61/14/557136114.db2.gz FUTAUMMIJHXWAH-UHFFFAOYSA-N 0 0 442.236 5.285 40 5 IKBBRN O=c1[nH]c(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCC3 ZINC000408735273 557142633 /nfs/dbraw/zinc/14/26/33/557142633.db2.gz PHTBAYWXUULMFE-UHFFFAOYSA-N 0 0 433.489 5.430 40 5 IKBBRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000408735248 557142648 /nfs/dbraw/zinc/14/26/48/557142648.db2.gz OYCJNVYPXVJXHJ-UHFFFAOYSA-N 0 0 437.477 5.177 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1[N+](=O)[O-] ZINC000021578574 557152675 /nfs/dbraw/zinc/15/26/75/557152675.db2.gz SJAWWQHPVLSBBW-UHFFFAOYSA-N 0 0 445.475 5.979 40 5 IKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408781828 557203885 /nfs/dbraw/zinc/20/38/85/557203885.db2.gz FHRZXRCEBHYRGF-MFUBYVTQSA-N 0 0 449.532 5.634 40 5 IKBBRN Cc1cc(Cl)ccc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000408814633 557225815 /nfs/dbraw/zinc/22/58/15/557225815.db2.gz VWLPDZGBKGTHSK-UHFFFAOYSA-N 0 0 440.888 5.580 40 5 IKBBRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000408816230 557230946 /nfs/dbraw/zinc/23/09/46/557230946.db2.gz JDNJMANOCLEUGY-NVNXTCNLSA-N 0 0 439.276 5.147 40 5 IKBBRN COc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408821322 557235671 /nfs/dbraw/zinc/23/56/71/557235671.db2.gz GEPKVXGKVFCGIT-UHFFFAOYSA-N 0 0 432.461 5.041 40 5 IKBBRN Cc1cc2sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)nc2cc1Cl ZINC000057313067 557238692 /nfs/dbraw/zinc/23/86/92/557238692.db2.gz GNUQZXBHFJVRCR-UHFFFAOYSA-N 0 0 438.317 6.287 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1C ZINC000408824410 557239723 /nfs/dbraw/zinc/23/97/23/557239723.db2.gz QBQQBLGYBFRXHH-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN CCCCCCSc1nnc2c(n1)O[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000015015444 557242495 /nfs/dbraw/zinc/24/24/95/557242495.db2.gz ZYMNNQUNBFSBMO-HXUWFJFHSA-N 0 0 437.525 5.622 40 5 IKBBRN Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])C(=O)O3)sc2c1 ZINC000408842029 557262846 /nfs/dbraw/zinc/26/28/46/557262846.db2.gz HXSQPXFQFXREJD-NTUHNPAUSA-N 0 0 443.824 5.024 40 5 IKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000072229398 557343218 /nfs/dbraw/zinc/34/32/18/557343218.db2.gz WIASZECBCVIFDO-UHFFFAOYSA-N 0 0 442.730 6.552 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000072229930 557343229 /nfs/dbraw/zinc/34/32/29/557343229.db2.gz DMGSPXVGFNJCID-HSZRJFAPSA-N 0 0 448.862 5.842 40 5 IKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000072229400 557343252 /nfs/dbraw/zinc/34/32/52/557343252.db2.gz KYYJNWHMZDJIQX-UHFFFAOYSA-N 0 0 442.730 6.552 40 5 IKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229149 557343310 /nfs/dbraw/zinc/34/33/10/557343310.db2.gz WLDHVUBFKQYQJG-HNNXBMFYSA-N 0 0 429.948 6.177 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072260248 557345434 /nfs/dbraw/zinc/34/54/34/557345434.db2.gz JAWJZXLEZJMLKF-UHFFFAOYSA-N 0 0 425.444 5.178 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000210198765 557346986 /nfs/dbraw/zinc/34/69/86/557346986.db2.gz RRUVKCNPQNBSCB-ODLFYWEKSA-N 0 0 440.864 6.058 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000013628333 557382587 /nfs/dbraw/zinc/38/25/87/557382587.db2.gz QWXATJZIQLUMDC-UHFFFAOYSA-N 0 0 447.491 5.162 40 5 IKBBRN CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000100494057 557410745 /nfs/dbraw/zinc/41/07/45/557410745.db2.gz AJXOZSWOGGYRDM-IBGZPJMESA-N 0 0 448.866 5.613 40 5 IKBBRN CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(-c2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000100494059 557410764 /nfs/dbraw/zinc/41/07/64/557410764.db2.gz AJXOZSWOGGYRDM-LJQANCHMSA-N 0 0 448.866 5.613 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1 ZINC000408560604 557416519 /nfs/dbraw/zinc/41/65/19/557416519.db2.gz ZXDIVRZBMUPZQE-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN Cc1ccc(COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Br)cc1 ZINC000408559416 557416775 /nfs/dbraw/zinc/41/67/75/557416775.db2.gz 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COc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214045880 569205964 /nfs/dbraw/zinc/20/59/64/569205964.db2.gz JMFCWNCOXXVAJU-UDWIEESQSA-N 0 0 436.445 5.100 40 5 IKBBRN O=C1S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1Cc1ccccc1 ZINC000214070561 569208330 /nfs/dbraw/zinc/20/83/30/569208330.db2.gz GSKMMANHLONGHY-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 ZINC000225032375 569213712 /nfs/dbraw/zinc/21/37/12/569213712.db2.gz IEYGESFJPGTDHJ-YADHBBJMSA-N 0 0 434.521 5.165 40 5 IKBBRN Cc1noc(/C=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)c1[N+](=O)[O-] ZINC000033574840 569244690 /nfs/dbraw/zinc/24/46/90/569244690.db2.gz ARVUKYPTINQDCU-CLFYSBASSA-N 0 0 449.688 6.057 40 5 IKBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000033660025 569245528 /nfs/dbraw/zinc/24/55/28/569245528.db2.gz WKCYZUOWTCLLOO-UHFFFAOYSA-N 0 0 428.920 5.091 40 5 IKBBRN CC(C)N(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)C(C)C ZINC000033699236 569245869 /nfs/dbraw/zinc/24/58/69/569245869.db2.gz LKVIDUSSJKDOAC-UHFFFAOYSA-N 0 0 440.576 5.695 40 5 IKBBRN S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000104395894 569250249 /nfs/dbraw/zinc/25/02/49/569250249.db2.gz SDFSGMZJUDOQBX-UHFFFAOYSA-N 0 0 444.541 5.213 40 5 IKBBRN CC(=O)c1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000104369381 569250313 /nfs/dbraw/zinc/25/03/13/569250313.db2.gz UZRJWRWKLSPCBB-UHFFFAOYSA-N 0 0 443.466 5.334 40 5 IKBBRN C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1Cl)[N+](=O)[O-] ZINC000107706444 569250946 /nfs/dbraw/zinc/25/09/46/569250946.db2.gz SCMBZDLJARQDOT-RMKNXTFCSA-N 0 0 431.069 5.613 40 5 IKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)N1CCCCC1 ZINC000210853577 569259070 /nfs/dbraw/zinc/25/90/70/569259070.db2.gz FGJIUFMIQWUSOH-PXLXIMEGSA-N 0 0 430.529 5.042 40 5 IKBBRN O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000002288061 569262941 /nfs/dbraw/zinc/26/29/41/569262941.db2.gz DSGVWMOCYMIADQ-CIAFOILYSA-N 0 0 434.835 5.172 40 5 IKBBRN Cc1cc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc([N+](=O)[O-])c1C ZINC000214180450 569265317 /nfs/dbraw/zinc/26/53/17/569265317.db2.gz DGMUNZKWUMDZRR-CIAFOILYSA-N 0 0 434.473 5.708 40 5 IKBBRN CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c-2cc1C ZINC000254485638 569273802 /nfs/dbraw/zinc/27/38/02/569273802.db2.gz IWWWBRIIGAXLCJ-UHFFFAOYSA-N 0 0 442.559 6.351 40 5 IKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])o1 ZINC000002346019 569275079 /nfs/dbraw/zinc/27/50/79/569275079.db2.gz RPCIZFWCANZTEJ-UHFFFAOYSA-N 0 0 434.260 6.024 40 5 IKBBRN Cc1noc(C)c1CSCC(=O)Nc1c2ccccc2n2c1c1ccccc1nc2C ZINC000008826297 569290896 /nfs/dbraw/zinc/29/08/96/569290896.db2.gz XPUOQEVZCKRVBN-UHFFFAOYSA-N 0 0 430.533 5.426 40 5 IKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c1 ZINC000008831153 569290909 /nfs/dbraw/zinc/29/09/09/569290909.db2.gz JSEMKIBILQZZRA-UHFFFAOYSA-N 0 0 446.488 5.147 40 5 IKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)c1 ZINC000008831151 569290951 /nfs/dbraw/zinc/29/09/51/569290951.db2.gz YOGXCBCHBCPFOR-UHFFFAOYSA-N 0 0 446.488 5.147 40 5 IKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000008832201 569291025 /nfs/dbraw/zinc/29/10/25/569291025.db2.gz DSWKGACMHDMXOK-KPKJPENVSA-N 0 0 441.491 5.412 40 5 IKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000008831830 569291052 /nfs/dbraw/zinc/29/10/52/569291052.db2.gz ZJKZDAJAOMDNAM-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000008832053 569291063 /nfs/dbraw/zinc/29/10/63/569291063.db2.gz VACVCGYDRCGUOG-UHFFFAOYSA-N 0 0 444.516 5.724 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 ZINC000008832386 569291072 /nfs/dbraw/zinc/29/10/72/569291072.db2.gz FQAPJXYSCPPLCX-PKNBQFBNSA-N 0 0 446.846 5.674 40 5 IKBBRN O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000008831790 569291079 /nfs/dbraw/zinc/29/10/79/569291079.db2.gz CQSZFFIASFVNPL-UHFFFAOYSA-N 0 0 446.290 5.124 40 5 IKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000008832184 569291086 /nfs/dbraw/zinc/29/10/86/569291086.db2.gz OJMKDVDZIJQDDP-UHFFFAOYSA-N 0 0 449.898 5.666 40 5 IKBBRN Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 ZINC000008832338 569291114 /nfs/dbraw/zinc/29/11/14/569291114.db2.gz IGNGMXKITIRHCH-UHFFFAOYSA-N 0 0 449.850 5.807 40 5 IKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)ccc3o2)cc1 ZINC000008902958 569292166 /nfs/dbraw/zinc/29/21/66/569292166.db2.gz YRODXFDWTIYFFO-UHFFFAOYSA-N 0 0 435.867 6.432 40 5 IKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 ZINC000008903196 569292207 /nfs/dbraw/zinc/29/22/07/569292207.db2.gz ZTLZZVDCMPUNBT-UHFFFAOYSA-N 0 0 433.873 5.067 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(C(=O)OC2CCCCC2)cc1 ZINC000008904093 569292225 /nfs/dbraw/zinc/29/22/25/569292225.db2.gz NLXHLPLLDBPSGL-NTUHNPAUSA-N 0 0 428.872 5.390 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc(C4CCCCC4)cc3)nc21 ZINC000010010655 569299050 /nfs/dbraw/zinc/29/90/50/569299050.db2.gz URFYLVXJVJDRBF-UHFFFAOYSA-N 0 0 441.509 5.278 40 5 IKBBRN CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1[N+](=O)[O-] ZINC000010120338 569299404 /nfs/dbraw/zinc/29/94/04/569299404.db2.gz AXNYVXADXIDFII-UHFFFAOYSA-N 0 0 445.475 5.349 40 5 IKBBRN Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000010120403 569299454 /nfs/dbraw/zinc/29/94/54/569299454.db2.gz DCIJTTORINZHHL-DHZHZOJOSA-N 0 0 427.460 5.349 40 5 IKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372880 569299856 /nfs/dbraw/zinc/29/98/56/569299856.db2.gz OZSUABONHHDSHV-UHFFFAOYSA-N 0 0 442.475 5.557 40 5 IKBBRN Cc1c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cccc1-c1nc2ncccc2o1 ZINC000010372882 569299889 /nfs/dbraw/zinc/29/98/89/569299889.db2.gz MFRPROZPXWJPTB-UHFFFAOYSA-N 0 0 442.475 5.557 40 5 IKBBRN CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000010444169 569300147 /nfs/dbraw/zinc/30/01/47/569300147.db2.gz LYLBZAZDBMFLFB-PXLXIMEGSA-N 0 0 430.460 5.259 40 5 IKBBRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl ZINC000225508467 569304947 /nfs/dbraw/zinc/30/49/47/569304947.db2.gz IZGWGIQTKMYPEP-OAHLLOKOSA-N 0 0 432.904 5.112 40 5 IKBBRN O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1ccc([N+](=O)[O-])cc1 ZINC000013388933 569315343 /nfs/dbraw/zinc/31/53/43/569315343.db2.gz GCCFQFQEBFOGIS-UHFFFAOYSA-N 0 0 434.452 5.075 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000013400304 569315344 /nfs/dbraw/zinc/31/53/44/569315344.db2.gz NMEDMNRAPXQBKI-UHFFFAOYSA-N 0 0 436.518 5.306 40 5 IKBBRN O=[N+]([O-])c1cc(-c2nnc3nc(-c4ccccc4)c(-c4ccccc4)nn32)ccc1Cl ZINC000261365000 569315410 /nfs/dbraw/zinc/31/54/10/569315410.db2.gz PGBRTEHMQWROJF-UHFFFAOYSA-N 0 0 428.839 5.082 40 5 IKBBRN CC(C)(C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328965914 569321512 /nfs/dbraw/zinc/32/15/12/569321512.db2.gz CGDMBVNLUWNYCR-UHFFFAOYSA-N 0 0 447.417 5.904 40 5 IKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000019630692 569324178 /nfs/dbraw/zinc/32/41/78/569324178.db2.gz IUFBPCFYHQKMOO-UHFFFAOYSA-N 0 0 439.880 5.542 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)c([N+](=O)[O-])c1 ZINC000020140601 569336006 /nfs/dbraw/zinc/33/60/06/569336006.db2.gz XCQITSWWEKXBKK-UHFFFAOYSA-N 0 0 432.432 5.476 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 ZINC000020145105 569336013 /nfs/dbraw/zinc/33/60/13/569336013.db2.gz DRSDFABWDQGHCL-KRXBUXKQSA-N 0 0 433.247 5.306 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)c([N+](=O)[O-])c1 ZINC000020151016 569336225 /nfs/dbraw/zinc/33/62/25/569336225.db2.gz FDODRJAZDCXAMF-UKTHLTGXSA-N 0 0 444.443 5.567 40 5 IKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000021578630 569390759 /nfs/dbraw/zinc/39/07/59/569390759.db2.gz QCFPJXCSJVTIQP-UHFFFAOYSA-N 0 0 435.867 6.234 40 5 IKBBRN COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000021579284 569390784 /nfs/dbraw/zinc/39/07/84/569390784.db2.gz VVNQEYAIXGQPEJ-UXBLZVDNSA-N 0 0 449.850 5.717 40 5 IKBBRN C[C@@H]1CCc2c(sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1 ZINC000021595930 569391925 /nfs/dbraw/zinc/39/19/25/569391925.db2.gz JMRSOFTUTRZVOU-MRVPVSSYSA-N 0 0 449.941 5.000 40 5 IKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677879 569393811 /nfs/dbraw/zinc/39/38/11/569393811.db2.gz NLQBFVMGRWYROQ-SFHVURJKSA-N 0 0 432.520 6.376 40 5 IKBBRN CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225565295 569404399 /nfs/dbraw/zinc/40/43/99/569404399.db2.gz LACWAHFTIFNFCP-SFHVURJKSA-N 0 0 426.513 5.076 40 5 IKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225758114 569408036 /nfs/dbraw/zinc/40/80/36/569408036.db2.gz SJUIYJFZLVJDJV-LJQANCHMSA-N 0 0 446.547 6.766 40 5 IKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225757995 569408038 /nfs/dbraw/zinc/40/80/38/569408038.db2.gz PXXDLWUBNIBKOQ-UHFFFAOYSA-N 0 0 432.520 6.377 40 5 IKBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225758177 569408115 /nfs/dbraw/zinc/40/81/15/569408115.db2.gz SFHHDSCXEPHDLU-UHFFFAOYSA-N 0 0 446.547 6.623 40 5 IKBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771527 569408433 /nfs/dbraw/zinc/40/84/33/569408433.db2.gz IRXBAUSCARJHLA-UHFFFAOYSA-N 0 0 434.492 5.222 40 5 IKBBRN Cc1ccc(C)c(-c2cc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3n2)c1 ZINC000002766411 569420630 /nfs/dbraw/zinc/42/06/30/569420630.db2.gz SOVBPRVKQOAMDK-UHFFFAOYSA-N 0 0 440.455 5.467 40 5 IKBBRN CCC(=O)Nc1ccc(Cl)c(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1 ZINC000057313509 569430591 /nfs/dbraw/zinc/43/05/91/569430591.db2.gz VVYCTAUGHCTTQK-UHFFFAOYSA-N 0 0 438.292 5.717 40 5 IKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315871 569430807 /nfs/dbraw/zinc/43/08/07/569430807.db2.gz ICZWYVBHBNVTFF-UHFFFAOYSA-N 0 0 434.842 5.233 40 5 IKBBRN O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000003062755 569439642 /nfs/dbraw/zinc/43/96/42/569439642.db2.gz IOCVWWJMRHZSRO-UHFFFAOYSA-N 0 0 430.247 5.406 40 5 IKBBRN O=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003117641 569440496 /nfs/dbraw/zinc/44/04/96/569440496.db2.gz FZJDWNRMUHNIIV-UHFFFAOYSA-N 0 0 441.164 5.433 40 5 IKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000030945794 569451333 /nfs/dbraw/zinc/45/13/33/569451333.db2.gz FRJYJHSUCODRQV-UHFFFAOYSA-N 0 0 442.730 5.406 40 5 IKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030945797 569451358 /nfs/dbraw/zinc/45/13/58/569451358.db2.gz AIHXHQGXMFMGIT-UHFFFAOYSA-N 0 0 442.730 5.406 40 5 IKBBRN O=C1c2ccc([N+](=O)[O-])cc2NC1c1ccc(C2Nc3cc([N+](=O)[O-])ccc3C2=O)cc1 ZINC000003844967 569456597 /nfs/dbraw/zinc/45/65/97/569456597.db2.gz NNGAYBFTJGAWND-UHFFFAOYSA-N 0 0 430.376 5.211 40 5 IKBBRN Cc1cc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)ccc1[N+](=O)[O-] ZINC000032115141 569460236 /nfs/dbraw/zinc/46/02/36/569460236.db2.gz UDRJLEVTFOBUGB-UHFFFAOYSA-N 0 0 443.793 5.895 40 5 IKBBRN CCCCc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)sc2c1 ZINC000032119031 569460237 /nfs/dbraw/zinc/46/02/37/569460237.db2.gz NAGBXOFDUWIKAD-UHFFFAOYSA-N 0 0 434.315 5.562 40 5 IKBBRN Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1 ZINC000032114474 569460261 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445.500 5.955 40 5 IKBBRN O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059475359 569461510 /nfs/dbraw/zinc/46/15/10/569461510.db2.gz VTXNKWDSNBEWLW-UHFFFAOYSA-N 0 0 426.453 5.700 40 5 IKBBRN Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccc(F)c([N+](=O)[O-])c2)n1 ZINC000040556472 569508280 /nfs/dbraw/zinc/50/82/80/569508280.db2.gz DRLNUOVXXFDBEB-UHFFFAOYSA-N 0 0 435.506 5.351 40 5 IKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000032119208 569583703 /nfs/dbraw/zinc/58/37/03/569583703.db2.gz NYWUOLHKLOPRIO-UHFFFAOYSA-N 0 0 448.957 5.327 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408604104 193973308 /nfs/dbraw/zinc/97/33/08/193973308.db2.gz DJNYKWFOLCCBHH-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 ZINC000020969986 520806047 /nfs/dbraw/zinc/80/60/47/520806047.db2.gz YVGKLCRKQPKXKL-QFIPXVFZSA-N 0 0 443.438 5.011 40 5 IKBBRN 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CCc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409174344 556989201 /nfs/dbraw/zinc/98/92/01/556989201.db2.gz SNIRVPIBYGRWCD-UHFFFAOYSA-N 0 0 448.475 5.412 40 5 IKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409182102 556989812 /nfs/dbraw/zinc/98/98/12/556989812.db2.gz IDDHLGZZMLLDNX-UHFFFAOYSA-N 0 0 442.265 5.293 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 ZINC000409182771 556989987 /nfs/dbraw/zinc/98/99/87/556989987.db2.gz ODJKRYOKZTUCKR-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 ZINC000409183171 556990259 /nfs/dbraw/zinc/99/02/59/556990259.db2.gz RWNPWPAYIDRCQM-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O ZINC000409175270 556991970 /nfs/dbraw/zinc/99/19/70/556991970.db2.gz YTAFVMBFWKDLGA-DEOSSOPVSA-N 0 0 427.412 5.235 40 5 IKBBRN O=C(COc1ccc(Cl)cc1Cl)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409178556 556996479 /nfs/dbraw/zinc/99/64/79/556996479.db2.gz MPTJPPQOUOVHSZ-UHFFFAOYSA-N 0 0 448.258 5.816 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000409180479 556999161 /nfs/dbraw/zinc/99/91/61/556999161.db2.gz UDFXLVOSJZOROB-HXUWFJFHSA-N 0 0 430.243 5.683 40 5 IKBBRN COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409181240 557000968 /nfs/dbraw/zinc/00/09/68/557000968.db2.gz ABOVXNIASFAHOH-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409182164 557002697 /nfs/dbraw/zinc/00/26/97/557002697.db2.gz IRVVNBYUYJCUQY-UHFFFAOYSA-N 0 0 427.254 5.189 40 5 IKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccc(Br)cc1 ZINC000409182965 557003157 /nfs/dbraw/zinc/00/31/57/557003157.db2.gz PSLPFWVCTOSLRG-UHFFFAOYSA-N 0 0 428.238 5.507 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 ZINC000409205632 557003672 /nfs/dbraw/zinc/00/36/72/557003672.db2.gz IWYWSQTZSGJAPG-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409183293 557004035 /nfs/dbraw/zinc/00/40/35/557004035.db2.gz RGVQWAJCXIEBCF-UHFFFAOYSA-N 0 0 442.265 5.293 40 5 IKBBRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409194867 557011189 /nfs/dbraw/zinc/01/11/89/557011189.db2.gz DKQWPVAKIJFMNA-BZZOAKBMSA-N 0 0 449.919 5.723 40 5 IKBBRN Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000409195840 557011213 /nfs/dbraw/zinc/01/12/13/557011213.db2.gz QZGHLYJASQNMLF-BZZOAKBMSA-N 0 0 449.919 5.723 40 5 IKBBRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000409207386 557017889 /nfs/dbraw/zinc/01/78/89/557017889.db2.gz VXSMOKQWXBFHSN-IZHYLOQSSA-N 0 0 445.500 5.079 40 5 IKBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408527440 557030167 /nfs/dbraw/zinc/03/01/67/557030167.db2.gz FMHBBFTXFZJMAB-UHFFFAOYSA-N 0 0 447.834 5.717 40 5 IKBBRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O ZINC000409215684 557030213 /nfs/dbraw/zinc/03/02/13/557030213.db2.gz DKZNMYPEAVQPSA-ZHZULCJRSA-N 0 0 426.494 5.400 40 5 IKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000408542125 557033694 /nfs/dbraw/zinc/03/36/94/557033694.db2.gz HGXIRSMNLQICKC-RAXLEYEMSA-N 0 0 430.460 6.193 40 5 IKBBRN Cc1noc(/C=C\c2cc(Br)ccc2OCc2ccccc2Cl)c1[N+](=O)[O-] ZINC000408544988 557034235 /nfs/dbraw/zinc/03/42/35/557034235.db2.gz WQJDHQDZIWVSOJ-VURMDHGXSA-N 0 0 449.688 6.057 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 ZINC000408557118 557037573 /nfs/dbraw/zinc/03/75/73/557037573.db2.gz MHPVAHRCOMVEES-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2c(OCc3cccc4ccccc43)ccc3ccccc32)c1 ZINC000408557674 557037781 /nfs/dbraw/zinc/03/77/81/557037781.db2.gz OCJBKFRLYUVOCM-UHFFFAOYSA-N 0 0 434.495 7.092 40 5 IKBBRN O=C1CS[C@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1c1ccc(Cl)cc1 ZINC000408557838 557037932 /nfs/dbraw/zinc/03/79/32/557037932.db2.gz QFBUSTMYCBERFT-JOCHJYFZSA-N 0 0 440.908 5.606 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408557719 557037939 /nfs/dbraw/zinc/03/79/39/557037939.db2.gz OMDOGVUPXAOAPU-UHFFFAOYSA-N 0 0 430.863 5.977 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 ZINC000408558674 557038452 /nfs/dbraw/zinc/03/84/52/557038452.db2.gz VDWFABPVKWLNRQ-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=C1CS[C@@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000408559234 557038750 /nfs/dbraw/zinc/03/87/50/557038750.db2.gz YNQWWWHETTYFKC-QFIPXVFZSA-N 0 0 440.908 5.606 40 5 IKBBRN CCOc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409260364 557040240 /nfs/dbraw/zinc/04/02/40/557040240.db2.gz PHKSFIBAAOWYQF-UHFFFAOYSA-N 0 0 437.433 5.971 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408562238 557040342 /nfs/dbraw/zinc/04/03/42/557040342.db2.gz OHMDJQVYWNYTIJ-ATJXCDBQSA-N 0 0 433.892 5.241 40 5 IKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1Cl ZINC000408572205 557041142 /nfs/dbraw/zinc/04/11/42/557041142.db2.gz QVGGXRURUUJXFK-FQEVSTJZSA-N 0 0 436.895 5.818 40 5 IKBBRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408564626 557041357 /nfs/dbraw/zinc/04/13/57/557041357.db2.gz ZYQGMWBVLVQRNU-LNVKXUELSA-N 0 0 429.929 5.464 40 5 IKBBRN CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408573385 557041880 /nfs/dbraw/zinc/04/18/80/557041880.db2.gz DKWOFJRSKLQHNG-PTGBLXJZSA-N 0 0 443.503 5.256 40 5 IKBBRN COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)cc1 ZINC000408569545 557041941 /nfs/dbraw/zinc/04/19/41/557041941.db2.gz JMHXOAPCSKZTHB-KRWDZBQOSA-N 0 0 439.324 5.001 40 5 IKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408571341 557042229 /nfs/dbraw/zinc/04/22/29/557042229.db2.gz OKNDOUPFJFKDMU-FQEVSTJZSA-N 0 0 441.314 6.462 40 5 IKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000408577059 557043212 /nfs/dbraw/zinc/04/32/12/557043212.db2.gz YNGBPKXQUSRQLR-NRFANRHFSA-N 0 0 426.542 5.208 40 5 IKBBRN CCOc1cc(Br)c([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC ZINC000408577494 557043610 /nfs/dbraw/zinc/04/36/10/557043610.db2.gz ZQAGPJIDXMCADN-MRXNPFEDSA-N 0 0 433.302 5.136 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000408610668 557064826 /nfs/dbraw/zinc/06/48/26/557064826.db2.gz RGRPOCOZTGDZSJ-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN CCCOc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000408612242 557067552 /nfs/dbraw/zinc/06/75/52/557067552.db2.gz VAAOOCSJUAKFOX-UHFFFAOYSA-N 0 0 444.123 5.521 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408604063 557069052 /nfs/dbraw/zinc/06/90/52/557069052.db2.gz DAISOZADCJEBNW-UHFFFAOYSA-N 0 0 426.900 6.146 40 5 IKBBRN Cc1c([N+](=O)[O-])cc(C(C)C)c(-c2c(C(C)C)cc([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] ZINC000100099243 557078028 /nfs/dbraw/zinc/07/80/28/557078028.db2.gz VLYQBPCDVIPHKP-UHFFFAOYSA-N 0 0 446.416 5.850 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409240341 557079388 /nfs/dbraw/zinc/07/93/88/557079388.db2.gz GSGILFWMAKJHHV-MHWRWJLKSA-N 0 0 444.230 5.259 40 5 IKBBRN CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2c3ccccc3cc3ccccc32)C1=O ZINC000409252138 557080980 /nfs/dbraw/zinc/08/09/80/557080980.db2.gz QTJXIVHHGWAZJR-PCLIKHOPSA-N 0 0 449.510 5.087 40 5 IKBBRN CCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409270418 557082474 /nfs/dbraw/zinc/08/24/74/557082474.db2.gz FTFLLVYLCXITSF-PTGBLXJZSA-N 0 0 443.503 5.304 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(Cl)c2C)c1 ZINC000408693745 557104464 /nfs/dbraw/zinc/10/44/64/557104464.db2.gz CXOHHMAEZGQONB-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(Cl)ccc2C)c1 ZINC000408694490 557105632 /nfs/dbraw/zinc/10/56/32/557105632.db2.gz JOCVIWBPRSCZOS-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(Cl)c2)c1 ZINC000408695414 557106500 /nfs/dbraw/zinc/10/65/00/557106500.db2.gz QLLIBTBZPZIQNR-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Cl)cc1 ZINC000408695688 557106681 /nfs/dbraw/zinc/10/66/81/557106681.db2.gz SDQOGTBOQBFIDV-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2C)c1 ZINC000408696031 557107040 /nfs/dbraw/zinc/10/70/40/557107040.db2.gz VHXZDENJULRAFE-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN O=C(CSc1ccc(Br)cc1)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000409412516 557108765 /nfs/dbraw/zinc/10/87/65/557108765.db2.gz ROUHCYKPIMAHIC-UHFFFAOYSA-N 0 0 436.114 5.395 40 5 IKBBRN CC(C)(C)c1ccc([C@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000014944883 557123824 /nfs/dbraw/zinc/12/38/24/557123824.db2.gz IPYMILWKSDRFAW-QFIPXVFZSA-N 0 0 446.503 6.047 40 5 IKBBRN COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] ZINC000409352519 557130786 /nfs/dbraw/zinc/13/07/86/557130786.db2.gz WHZHJZGOPLSKDV-CPNJWEJPSA-N 0 0 449.444 5.032 40 5 IKBBRN O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1c2ccccc2cc2ccccc21 ZINC000002821184 557133986 /nfs/dbraw/zinc/13/39/86/557133986.db2.gz CZQXBEUCLQAGSM-HYARGMPZSA-N 0 0 428.285 6.100 40 5 IKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000409354977 557136443 /nfs/dbraw/zinc/13/64/43/557136443.db2.gz AZFKIYQRMQNCCA-UUYOSTAYSA-N 0 0 448.500 6.017 40 5 IKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000409357711 557137122 /nfs/dbraw/zinc/13/71/22/557137122.db2.gz JOQUEGRBQLMNQY-UUYOSTAYSA-N 0 0 448.500 6.017 40 5 IKBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000021595345 557154607 /nfs/dbraw/zinc/15/46/07/557154607.db2.gz AVHCHBOEIVSDJJ-QRURKXGXSA-N 0 0 431.492 5.886 40 5 IKBBRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)n2)cc1 ZINC000021595471 557154882 /nfs/dbraw/zinc/15/48/82/557154882.db2.gz QZTCHYYMPNXAJL-ACCUITESSA-N 0 0 447.472 5.639 40 5 IKBBRN c1ccc2c(c1)cc1ccc3c4c5c(ccc6c5[C@@H](C=C4)c4ccccc4C6)c4ccc2c1c43 ZINC000095869648 557161095 /nfs/dbraw/zinc/16/10/95/557161095.db2.gz VUGCJEKOSQLHPQ-SANMLTNESA-N 0 0 428.534 8.953 40 5 IKBBRN CCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)c(C)c2)C1=O ZINC000408756799 557169086 /nfs/dbraw/zinc/16/90/86/557169086.db2.gz JPGYYKUVLRUUDH-UHFFFAOYSA-N 0 0 439.265 5.102 40 5 IKBBRN O=[N+]([O-])c1ccc2nc(Sc3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])sc2c1 ZINC000101023781 557214214 /nfs/dbraw/zinc/21/42/14/557214214.db2.gz JXLQDPMDWMGQRL-UHFFFAOYSA-N 0 0 446.344 5.191 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000408823238 557237376 /nfs/dbraw/zinc/23/73/76/557237376.db2.gz NIUPSNBKXRROHS-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)cc1 ZINC000408826177 557242269 /nfs/dbraw/zinc/24/22/69/557242269.db2.gz KWCVCQGFSKMHNQ-UHFFFAOYSA-N 0 0 443.528 6.563 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000057313734 557245000 /nfs/dbraw/zinc/24/50/00/557245000.db2.gz HNLQNNKKANEZDX-DHZHZOJOSA-N 0 0 427.869 5.035 40 5 IKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000408832947 557249506 /nfs/dbraw/zinc/24/95/06/557249506.db2.gz SGCNHFWKBCOINQ-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000408843515 557264772 /nfs/dbraw/zinc/26/47/72/557264772.db2.gz LVNURWPRYHJXMN-UHFFFAOYSA-N 0 0 441.848 5.277 40 5 IKBBRN Cc1ccc(-c2cs/c(=N\c3ccccc3)n2CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000101375725 557278761 /nfs/dbraw/zinc/27/87/61/557278761.db2.gz OPURHTXMGMXARC-LCUIJRPUSA-N 0 0 430.533 5.778 40 5 IKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000113928811 557309759 /nfs/dbraw/zinc/30/97/59/557309759.db2.gz JYBKXSXXVXUSNK-MHZLTWQESA-N 0 0 449.510 6.269 40 5 IKBBRN COc1c(C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc2ccccc2c1Br ZINC000014272938 557332398 /nfs/dbraw/zinc/33/23/98/557332398.db2.gz XGIHVJYUKCYZSC-UHFFFAOYSA-N 0 0 449.688 5.733 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 ZINC000014273006 557332588 /nfs/dbraw/zinc/33/25/88/557332588.db2.gz CSGPMRSFLYLPPU-UHFFFAOYSA-N 0 0 444.491 5.008 40 5 IKBBRN Cc1c(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000014270447 557332657 /nfs/dbraw/zinc/33/26/57/557332657.db2.gz QGDWPXQUPPDVCS-UHFFFAOYSA-N 0 0 448.529 5.307 40 5 IKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Br)ccc1Cl ZINC000014376708 557336869 /nfs/dbraw/zinc/33/68/69/557336869.db2.gz UHIILAUNCBWOSH-UHFFFAOYSA-N 0 0 438.690 5.387 40 5 IKBBRN CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC000072229529 557343515 /nfs/dbraw/zinc/34/35/15/557343515.db2.gz TZUIGOYDLYUJBZ-UHFFFAOYSA-N 0 0 448.100 5.460 40 5 IKBBRN CC1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229150 557343746 /nfs/dbraw/zinc/34/37/46/557343746.db2.gz HHTIPZKMXVYIBN-UHFFFAOYSA-N 0 0 429.948 6.034 40 5 IKBBRN O=c1cc(Nc2cc([N+](=O)[O-])ccc2Cl)[nH]n1-c1c(Cl)cc(Cl)cc1Cl ZINC000100285456 557397322 /nfs/dbraw/zinc/39/73/22/557397322.db2.gz FUDXRBGRMHMPQC-UHFFFAOYSA-N 0 0 434.066 5.431 40 5 IKBBRN CCC[C@@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@H](CC)c1ccccc1 ZINC000004900989 557402449 /nfs/dbraw/zinc/40/24/49/557402449.db2.gz OICXZJZJTBTPPS-ATIYNZHBSA-N 0 0 432.520 7.033 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 ZINC000408558977 557416188 /nfs/dbraw/zinc/41/61/88/557416188.db2.gz TXRSVCSQSOSKQY-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cccc3ccccc32)cc1 ZINC000408565038 557417357 /nfs/dbraw/zinc/41/73/57/557417357.db2.gz BBJRBXAQLMRTJJ-JOCHJYFZSA-N 0 0 434.521 5.238 40 5 IKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000408569980 557418033 /nfs/dbraw/zinc/41/80/33/557418033.db2.gz KLYHBTMISSRRQQ-FQEVSTJZSA-N 0 0 441.314 6.462 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)cc1 ZINC000408563303 557418570 /nfs/dbraw/zinc/41/85/70/557418570.db2.gz VEQUMQXLSRDCTM-LNVKXUELSA-N 0 0 429.929 5.410 40 5 IKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000408576145 557420030 /nfs/dbraw/zinc/42/00/30/557420030.db2.gz XJWZWXZXDFOURZ-MRXNPFEDSA-N 0 0 427.288 5.132 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000408603207 557421008 /nfs/dbraw/zinc/42/10/08/557421008.db2.gz BMCNHJFICNGSML-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN Cc1ccc(COc2ccc(Br)cc2CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408609870 557421677 /nfs/dbraw/zinc/42/16/77/557421677.db2.gz PFTSDZWWMINFDP-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN O=C(CCSc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2cnc3ccccc3n2)c1 ZINC000024522299 557439461 /nfs/dbraw/zinc/43/94/61/557439461.db2.gz DLVLCMZCAGXUEH-UHFFFAOYSA-N 0 0 430.489 5.326 40 5 IKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2c(F)cccc2Cl)c1 ZINC000024522757 557439475 /nfs/dbraw/zinc/43/94/75/557439475.db2.gz ZZHGHZAWSNRBSF-VAWYXSNFSA-N 0 0 435.842 6.080 40 5 IKBBRN COc1ccc([C@H]2C=C(Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000103768030 557441459 /nfs/dbraw/zinc/44/14/59/557441459.db2.gz RVOIAXAXPQYGBU-JOCHJYFZSA-N 0 0 429.476 5.304 40 5 IKBBRN Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1 ZINC000106706785 557531617 /nfs/dbraw/zinc/53/16/17/557531617.db2.gz FKPWMDARUHSYFH-NDENLUEZSA-N 0 0 447.472 5.327 40 5 IKBBRN CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000225311620 557710746 /nfs/dbraw/zinc/71/07/46/557710746.db2.gz OZXHVDLXIKHYFH-YVJFHRMNSA-N 0 0 430.504 5.720 40 5 IKBBRN O=C(NCCC1=CCCCC1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000033530615 557808101 /nfs/dbraw/zinc/80/81/01/557808101.db2.gz QVNGPXNQHNGYGA-UHFFFAOYSA-N 0 0 448.530 5.891 40 5 IKBBRN O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033853334 557810005 /nfs/dbraw/zinc/81/00/05/557810005.db2.gz GDJLHLFRAVQSIC-UHFFFAOYSA-N 0 0 444.287 6.145 40 5 IKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000033771851 557810757 /nfs/dbraw/zinc/81/07/57/557810757.db2.gz DGKSKPHBZFSNQF-UHFFFAOYSA-N 0 0 446.426 5.040 40 5 IKBBRN O=C1N[C@@H](c2c3ccccc3cc3ccccc32)Nc2c1sc(=S)n2-c1ccccc1 ZINC000059459472 557821338 /nfs/dbraw/zinc/82/13/38/557821338.db2.gz ODRQMAJJIKQUMI-QFIPXVFZSA-N 0 0 439.565 6.429 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc21 ZINC000000869931 557831996 /nfs/dbraw/zinc/83/19/96/557831996.db2.gz LPPXQANJQCAUDZ-UHFFFAOYSA-N 0 0 448.479 5.383 40 5 IKBBRN O=[N+]([O-])c1ccc(Cl)c([C@H]2CC(c3cccc4ccccc43)=Nc3ccccc3S2)c1 ZINC000008655559 562960285 /nfs/dbraw/zinc/96/02/85/562960285.db2.gz RFDIQYMVHMNYQP-RUZDIDTESA-N 0 0 444.943 7.759 40 5 IKBBRN CSC1=C(c2ccc(Cl)cc2)S[C@@H](N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 ZINC000031861444 563083614 /nfs/dbraw/zinc/08/36/14/563083614.db2.gz CPYDMUGQZURODB-NRFANRHFSA-N 0 0 448.013 6.260 40 5 IKBBRN CSC1=C(c2ccc(Cl)cc2)S[C@H](N2CCCCC2)N1c1ccc([N+](=O)[O-])cc1 ZINC000031861445 563083616 /nfs/dbraw/zinc/08/36/16/563083616.db2.gz CPYDMUGQZURODB-OAQYLSRUSA-N 0 0 448.013 6.260 40 5 IKBBRN Cc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1NC(=O)c1ccccc1 ZINC000001085270 568656928 /nfs/dbraw/zinc/65/69/28/568656928.db2.gz RFVLLYLFHWRICH-UHFFFAOYSA-N 0 0 441.443 5.668 40 5 IKBBRN CC(C)CSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000222784896 568661454 /nfs/dbraw/zinc/66/14/54/568661454.db2.gz PLKZNWUMRUKOMC-LDADJPATSA-N 0 0 440.550 5.374 40 5 IKBBRN O=C(Oc1cc2sc(=S)oc2c(-c2ccc([N+](=O)[O-])cc2)c1)c1ccc(Cl)cc1 ZINC000015218741 568732857 /nfs/dbraw/zinc/73/28/57/568732857.db2.gz NEVCUGNCRSNUGS-UHFFFAOYSA-N 0 0 443.889 6.672 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223114730 568779663 /nfs/dbraw/zinc/77/96/63/568779663.db2.gz XAQHRQLPNRXXLR-XZOQPEGZSA-N 0 0 448.548 5.555 40 5 IKBBRN CC(C)(C)c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(Br)c1 ZINC000218882161 568791050 /nfs/dbraw/zinc/79/10/50/568791050.db2.gz LQRYRRJPZUIGRC-UHFFFAOYSA-N 0 0 441.709 5.326 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223361945 568819666 /nfs/dbraw/zinc/81/96/66/568819666.db2.gz WXYMBGYDLHJHOZ-FCHUYYIVSA-N 0 0 446.488 5.016 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223368396 568819887 /nfs/dbraw/zinc/81/98/87/568819887.db2.gz MXQMVAMACHJYSN-YADHBBJMSA-N 0 0 446.488 5.016 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 ZINC000223368231 568819893 /nfs/dbraw/zinc/81/98/93/568819893.db2.gz BXKHEYFHFMCZSL-FCHUYYIVSA-N 0 0 446.488 5.016 40 5 IKBBRN CCOc1ccc2nc3sc(-c4nnc(-c5ccc([N+](=O)[O-])cc5)o4)c(N)c3cc2c1 ZINC000006134278 568844863 /nfs/dbraw/zinc/84/48/63/568844863.db2.gz NAJUVSUTFJJOAP-UHFFFAOYSA-N 0 0 433.449 5.056 40 5 IKBBRN CCC(C)(C)[C@H]1CC[C@@H]2Oc3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3[C@@H]2C1 ZINC000006142738 568845240 /nfs/dbraw/zinc/84/52/40/568845240.db2.gz KLOIUKFRCWQAQR-ZRCAFCQKSA-N 0 0 444.553 5.477 40 5 IKBBRN COc1ccccc1/C=C/c1cc(/C=C/c2ccccc2OC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001714416 568880246 /nfs/dbraw/zinc/88/02/46/568880246.db2.gz QOUIKXZFYIGUNQ-PHEQNACWSA-N 0 0 432.432 5.861 40 5 IKBBRN O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000016449350 568903286 /nfs/dbraw/zinc/90/32/86/568903286.db2.gz NGAXCIGTZGRSAR-UHFFFAOYSA-N 0 0 449.291 5.351 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(Cl)c1 ZINC000224151831 568907866 /nfs/dbraw/zinc/90/78/66/568907866.db2.gz PTJDSBNRPOOZHH-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)cc1 ZINC000224163413 568908148 /nfs/dbraw/zinc/90/81/48/568908148.db2.gz URPUNSBLDMAFHS-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224189262 568915505 /nfs/dbraw/zinc/91/55/05/568915505.db2.gz XRYZMVSGEUAXHO-XZOQPEGZSA-N 0 0 442.500 5.427 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)C ZINC000224235477 568916582 /nfs/dbraw/zinc/91/65/82/568916582.db2.gz ZOBNOXFNLXBJFH-UHFFFAOYSA-N 0 0 434.492 5.867 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc2ccccc21 ZINC000224304638 568917572 /nfs/dbraw/zinc/91/75/72/568917572.db2.gz YVZGOCZBXOUTAF-UHFFFAOYSA-N 0 0 428.444 5.588 40 5 IKBBRN CC(C)C(=O)Nc1cccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000016574979 568921380 /nfs/dbraw/zinc/92/13/80/568921380.db2.gz QEHSHMFPVBCCPQ-UHFFFAOYSA-N 0 0 434.448 5.339 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(Cl)cc1 ZINC000224351368 568923253 /nfs/dbraw/zinc/92/32/53/568923253.db2.gz RRIYBNIBEXJCQU-UHFFFAOYSA-N 0 0 428.897 5.801 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000016610794 568925514 /nfs/dbraw/zinc/92/55/14/568925514.db2.gz UNBDHOHWJQLVBC-OAHLLOKOSA-N 0 0 429.476 6.477 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc(Cl)c1 ZINC000224491285 568929584 /nfs/dbraw/zinc/92/95/84/568929584.db2.gz ZOJNRPGVHIUZTO-UHFFFAOYSA-N 0 0 426.856 5.478 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(Cl)c1 ZINC000224494047 568929708 /nfs/dbraw/zinc/92/97/08/568929708.db2.gz WWMYGRBHUVXRAM-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)cc1 ZINC000224504797 568931722 /nfs/dbraw/zinc/93/17/22/568931722.db2.gz YKVPQKWNMFWOFU-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1C(C)(C)C ZINC000224513176 568936860 /nfs/dbraw/zinc/93/68/60/568936860.db2.gz CXIAIIBYIDMZJN-UHFFFAOYSA-N 0 0 448.519 6.122 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)C ZINC000224571070 568940376 /nfs/dbraw/zinc/94/03/76/568940376.db2.gz SHCHEWUZHROWPN-UHFFFAOYSA-N 0 0 448.519 6.257 40 5 IKBBRN CCc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccccc3)nc12 ZINC000006860520 569088898 /nfs/dbraw/zinc/08/88/98/569088898.db2.gz NOLRHGGDPCDZTM-UHFFFAOYSA-N 0 0 444.516 5.498 40 5 IKBBRN COc1ccc2c(c1)oc1nc(-c3ccc(C(C)(C)C)cc3)n3c4ccccc4nc3c1c2=O ZINC000006143807 569156378 /nfs/dbraw/zinc/15/63/78/569156378.db2.gz AQUOXLMTYDDOJG-UHFFFAOYSA-N 0 0 449.510 6.115 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 ZINC000017096460 569172517 /nfs/dbraw/zinc/17/25/17/569172517.db2.gz KVWUMBYQIXPSCC-HNNXBMFYSA-N 0 0 429.476 6.477 40 5 IKBBRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc([N+](=O)[O-])cc1Cl ZINC000017095100 569172585 /nfs/dbraw/zinc/17/25/85/569172585.db2.gz WIKKSASFYNMDCR-UHFFFAOYSA-N 0 0 426.639 6.172 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000017096461 569172724 /nfs/dbraw/zinc/17/27/24/569172724.db2.gz SVDLEYSYEZFYDE-OAHLLOKOSA-N 0 0 429.476 6.477 40 5 IKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000017096471 569172812 /nfs/dbraw/zinc/17/28/12/569172812.db2.gz FHFFMFMSZGNSIF-UHFFFAOYSA-N 0 0 429.480 5.232 40 5 IKBBRN Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1cc2ccccc2o1 ZINC000017096420 569172965 /nfs/dbraw/zinc/17/29/65/569172965.db2.gz FASSVMBBASSHPH-UHFFFAOYSA-N 0 0 429.432 5.462 40 5 IKBBRN O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000017096290 569172969 /nfs/dbraw/zinc/17/29/69/569172969.db2.gz ZHGIKHYYOHRDKR-UHFFFAOYSA-N 0 0 429.219 5.357 40 5 IKBBRN O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000017101458 569173258 /nfs/dbraw/zinc/17/32/58/569173258.db2.gz HMOSTBJLYUWFQB-UHFFFAOYSA-N 0 0 437.521 5.784 40 5 IKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1Cl ZINC000017101856 569173394 /nfs/dbraw/zinc/17/33/94/569173394.db2.gz ORLDBMHXTJJANN-UHFFFAOYSA-N 0 0 438.094 5.843 40 5 IKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017098300 569173439 /nfs/dbraw/zinc/17/34/39/569173439.db2.gz HLBQSWWEIXUPNM-QPJJXVBHSA-N 0 0 433.247 5.822 40 5 IKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017100037 569173456 /nfs/dbraw/zinc/17/34/56/569173456.db2.gz VNLAWWGLNNVCLG-UHFFFAOYSA-N 0 0 436.405 5.139 40 5 IKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017098728 569173527 /nfs/dbraw/zinc/17/35/27/569173527.db2.gz ZOEKZSLDRUBWCN-UHFFFAOYSA-N 0 0 434.260 6.024 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017101668 569173576 /nfs/dbraw/zinc/17/35/76/569173576.db2.gz OZQRORVYVCPCCK-XBXARRHUSA-N 0 0 437.666 6.467 40 5 IKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017099211 569173636 /nfs/dbraw/zinc/17/36/36/569173636.db2.gz WJDXUZSBLQKJOX-WEVVVXLNSA-N 0 0 434.839 5.412 40 5 IKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c([N+](=O)[O-])c1 ZINC000017098301 569173656 /nfs/dbraw/zinc/17/36/56/569173656.db2.gz CWALLEQRSUUFHN-QPJJXVBHSA-N 0 0 433.247 5.822 40 5 IKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1Cl ZINC000017101858 569173657 /nfs/dbraw/zinc/17/36/57/569173657.db2.gz PSCIBDSPBXYOEL-UHFFFAOYSA-N 0 0 438.094 5.843 40 5 IKBBRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(OC)c1 ZINC000224935105 569193660 /nfs/dbraw/zinc/19/36/60/569193660.db2.gz JTFHCVPPIIJUMM-UHFFFAOYSA-N 0 0 445.431 5.186 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 ZINC000225032415 569213729 /nfs/dbraw/zinc/21/37/29/569213729.db2.gz IEYGESFJPGTDHJ-FCHUYYIVSA-N 0 0 434.521 5.165 40 5 IKBBRN CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225032893 569213731 /nfs/dbraw/zinc/21/37/31/569213731.db2.gz AABVCWCPHSHVEB-UHFFFAOYSA-N 0 0 440.565 5.278 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225032545 569213745 /nfs/dbraw/zinc/21/37/45/569213745.db2.gz AMBKQDYQHVDREW-YADHBBJMSA-N 0 0 434.521 5.165 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225026822 569213754 /nfs/dbraw/zinc/21/37/54/569213754.db2.gz DPAKPFCXNRDXFQ-VXKWHMMOSA-N 0 0 434.521 5.165 40 5 IKBBRN C[C@@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nc4[nH]c5ccccc5c4nc3c1)C2 ZINC000010129639 569221595 /nfs/dbraw/zinc/22/15/95/569221595.db2.gz ORUFTGFSKZNLJS-PMPSAXMXSA-N 0 0 430.577 5.685 40 5 IKBBRN CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc([N+](=O)[O-])cc1 ZINC000033389040 569243651 /nfs/dbraw/zinc/24/36/51/569243651.db2.gz UJLXQDMSQIJEPJ-UHFFFAOYSA-N 0 0 426.542 5.509 40 5 IKBBRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000033509726 569244253 /nfs/dbraw/zinc/24/42/53/569244253.db2.gz JEXXFXJFRNGAKY-INIZCTEOSA-N 0 0 441.494 5.471 40 5 IKBBRN O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1sc2cc(Cl)ccc2c1Cl ZINC000033608582 569244829 /nfs/dbraw/zinc/24/48/29/569244829.db2.gz FFPOQQRMASNLQN-UHFFFAOYSA-N 0 0 426.306 5.243 40 5 IKBBRN S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)Nc1cccc2ccccc21 ZINC000033745072 569246456 /nfs/dbraw/zinc/24/64/56/569246456.db2.gz XGVVYHZWJNUSDW-UHFFFAOYSA-N 0 0 436.565 6.960 40 5 IKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000034836167 569247772 /nfs/dbraw/zinc/24/77/72/569247772.db2.gz FHLZOGJYUQWHCQ-TWGQIWQCSA-N 0 0 449.290 6.346 40 5 IKBBRN CC(=O)c1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000034880918 569247959 /nfs/dbraw/zinc/24/79/59/569247959.db2.gz QERJJIPYRFQAGF-UHFFFAOYSA-N 0 0 443.466 5.334 40 5 IKBBRN CC1CCN(C(=S)c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)CC1 ZINC000035074047 569248069 /nfs/dbraw/zinc/24/80/69/569248069.db2.gz PTGLSIPKUIPCAW-UHFFFAOYSA-N 0 0 449.370 5.344 40 5 IKBBRN Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccccc2F)c1[N+](=O)[O-] ZINC000107634894 569250689 /nfs/dbraw/zinc/25/06/89/569250689.db2.gz MFSWENMZBQRAGS-SOFGYWHQSA-N 0 0 433.233 5.542 40 5 IKBBRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)CC1 ZINC000107727122 569251059 /nfs/dbraw/zinc/25/10/59/569251059.db2.gz KQJKBWYTDMRSTB-UHFFFAOYSA-N 0 0 449.370 5.344 40 5 IKBBRN COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Br)cc1 ZINC000107781751 569251237 /nfs/dbraw/zinc/25/12/37/569251237.db2.gz GATPESWSIJPKAW-VOTSOKGWSA-N 0 0 443.091 5.047 40 5 IKBBRN Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1[N+](=O)[O-] ZINC000108062970 569252197 /nfs/dbraw/zinc/25/21/97/569252197.db2.gz CLWRLNBZSRXNFJ-UHFFFAOYSA-N 0 0 434.835 5.582 40 5 IKBBRN O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108162164 569252529 /nfs/dbraw/zinc/25/25/29/569252529.db2.gz OYZZDRTUJBYFHK-UHFFFAOYSA-N 0 0 435.383 5.000 40 5 IKBBRN CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108211722 569252659 /nfs/dbraw/zinc/25/26/59/569252659.db2.gz NYAHSRAPRDEFFG-UHFFFAOYSA-N 0 0 449.370 5.344 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 ZINC000108207217 569252692 /nfs/dbraw/zinc/25/26/92/569252692.db2.gz BATIPPSVZQUSCK-DHZHZOJOSA-N 0 0 446.846 5.674 40 5 IKBBRN COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-] ZINC000166349039 569255256 /nfs/dbraw/zinc/25/52/56/569255256.db2.gz UJAGXGJXOXCLLC-LZYBPNLTSA-N 0 0 439.276 5.147 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1Cl ZINC000214133768 569264248 /nfs/dbraw/zinc/26/42/48/569264248.db2.gz ZOERESFXIZNTFK-YBFXNURJSA-N 0 0 440.864 5.745 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000214236283 569267782 /nfs/dbraw/zinc/26/77/82/569267782.db2.gz DOQVWMAYZRYUQG-RGVLZGJSSA-N 0 0 438.436 5.539 40 5 IKBBRN Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008831876 569291027 /nfs/dbraw/zinc/29/10/27/569291027.db2.gz DMOCIBSBIYMNKQ-UHFFFAOYSA-N 0 0 440.415 5.619 40 5 IKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000008832183 569291054 /nfs/dbraw/zinc/29/10/54/569291054.db2.gz ZVOAYABUYCWPIS-UHFFFAOYSA-N 0 0 449.898 5.666 40 5 IKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc2c1 ZINC000008907444 569292189 /nfs/dbraw/zinc/29/21/89/569292189.db2.gz SIXYWNZJSPJVRG-UHFFFAOYSA-N 0 0 432.392 5.180 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)c([N+](=O)[O-])c1 ZINC000008904117 569292205 /nfs/dbraw/zinc/29/22/05/569292205.db2.gz JIVBOEBXJDJBIZ-UHFFFAOYSA-N 0 0 448.475 5.905 40 5 IKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000009056849 569293249 /nfs/dbraw/zinc/29/32/49/569293249.db2.gz DASDSDHCHCSSRL-UHFFFAOYSA-N 0 0 427.460 5.688 40 5 IKBBRN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21 ZINC000009056861 569293294 /nfs/dbraw/zinc/29/32/94/569293294.db2.gz BOTHAZUQTHNFLI-UHFFFAOYSA-N 0 0 438.270 6.369 40 5 IKBBRN O=C1Nc2ccc(Br)cc2C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 ZINC000010150645 569299423 /nfs/dbraw/zinc/29/94/23/569299423.db2.gz TVRDTGDINLDMPC-UHFFFAOYSA-N 0 0 437.253 5.162 40 5 IKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2cc1C ZINC000010120368 569299426 /nfs/dbraw/zinc/29/94/26/569299426.db2.gz DZBCMLDJDXKRLU-UHFFFAOYSA-N 0 0 435.867 5.603 40 5 IKBBRN Cc1c(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cccc1[N+](=O)[O-] ZINC000027842935 569302662 /nfs/dbraw/zinc/30/26/62/569302662.db2.gz XGRSUHHLNAWNTI-UHFFFAOYSA-N 0 0 444.274 5.715 40 5 IKBBRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1Cl ZINC000225508502 569304906 /nfs/dbraw/zinc/30/49/06/569304906.db2.gz IZGWGIQTKMYPEP-HNNXBMFYSA-N 0 0 432.904 5.112 40 5 IKBBRN CCCCCCN(CCCCCC)C(=O)c1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1 ZINC000019636985 569323983 /nfs/dbraw/zinc/32/39/83/569323983.db2.gz IDVCDZCQEBRDST-UHFFFAOYSA-N 0 0 442.604 6.059 40 5 IKBBRN O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2c(Cl)cccc12 ZINC000019637311 569323987 /nfs/dbraw/zinc/32/39/87/569323987.db2.gz SEVURUYYWDBKRJ-UHFFFAOYSA-N 0 0 442.909 5.138 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000019630771 569324060 /nfs/dbraw/zinc/32/40/60/569324060.db2.gz PZYJWNRETQQUPD-UHFFFAOYSA-N 0 0 439.924 5.202 40 5 IKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019639809 569324887 /nfs/dbraw/zinc/32/48/87/569324887.db2.gz SKFOCBTVCFBMBB-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN CC(C)c1ccc(/C=C/C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000019645833 569324928 /nfs/dbraw/zinc/32/49/28/569324928.db2.gz DKGCEEDNAMRTKF-BJMVGYQFSA-N 0 0 447.457 5.099 40 5 IKBBRN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019639789 569324973 /nfs/dbraw/zinc/32/49/73/569324973.db2.gz WUSLDEATNAMZLB-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN Cc1[nH]c2ccccc2c1[C@H]1c2cc([N+](=O)[O-])ccc2O[C@]2(N3CCOCC3)CCCC[C@H]12 ZINC000019830795 569330173 /nfs/dbraw/zinc/33/01/73/569330173.db2.gz XTTZLFDVYNCVHM-QGUKFAFCSA-N 0 0 447.535 5.128 40 5 IKBBRN COc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019894512 569331639 /nfs/dbraw/zinc/33/16/39/569331639.db2.gz VPYRVZSMZMGOPD-UHFFFAOYSA-N 0 0 437.502 5.708 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000020108399 569334336 /nfs/dbraw/zinc/33/43/36/569334336.db2.gz QVDKBESBOOQYBA-UHFFFAOYSA-N 0 0 431.492 5.326 40 5 IKBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140476 569335847 /nfs/dbraw/zinc/33/58/47/569335847.db2.gz MUCBKGDANKSNCY-UHFFFAOYSA-N 0 0 438.823 5.513 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cc(-c2ccc(CO)o2)ccc1Cl ZINC000020145101 569336014 /nfs/dbraw/zinc/33/60/14/569336014.db2.gz LFPTYKSSPYNAGQ-KRXBUXKQSA-N 0 0 433.247 5.306 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)c([N+](=O)[O-])c1 ZINC000020151010 569336221 /nfs/dbraw/zinc/33/62/21/569336221.db2.gz KBPYRRSCOQZSKK-XYOKQWHBSA-N 0 0 444.443 5.567 40 5 IKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc1 ZINC000020411327 569363764 /nfs/dbraw/zinc/36/37/64/569363764.db2.gz GJFQHOQGZMANFZ-UHFFFAOYSA-N 0 0 431.448 5.544 40 5 IKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)ccc3o2)cc1 ZINC000020411243 569363879 /nfs/dbraw/zinc/36/38/79/569363879.db2.gz SJSHPTRGELSERY-UHFFFAOYSA-N 0 0 435.867 6.432 40 5 IKBBRN O=[N+]([O-])c1ccc(Oc2c(C3CCCCC3)cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000095793388 569375090 /nfs/dbraw/zinc/37/50/90/569375090.db2.gz OIXBXXCSARZQSW-UHFFFAOYSA-N 0 0 432.345 5.159 40 5 IKBBRN C[C@H]1CCc2c(sc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2C(N)=O)C1 ZINC000021595931 569391890 /nfs/dbraw/zinc/39/18/90/569391890.db2.gz JMRSOFTUTRZVOU-QMMMGPOBSA-N 0 0 449.941 5.000 40 5 IKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677854 569393827 /nfs/dbraw/zinc/39/38/27/569393827.db2.gz NLQBFVMGRWYROQ-GOSISDBHSA-N 0 0 432.520 6.376 40 5 IKBBRN COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl ZINC000225538738 569403685 /nfs/dbraw/zinc/40/36/85/569403685.db2.gz LZTWYKLYWPLEBL-INIZCTEOSA-N 0 0 446.931 5.503 40 5 IKBBRN CCCCOc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225565217 569404379 /nfs/dbraw/zinc/40/43/79/569404379.db2.gz HZXBMECURJPPBX-UHFFFAOYSA-N 0 0 426.513 5.077 40 5 IKBBRN O=C(NCC1(c2ccccc2)CCOCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000225730168 569407398 /nfs/dbraw/zinc/40/73/98/569407398.db2.gz FQSIKZKDMYQHRW-NCELDCMTSA-N 0 0 442.515 5.000 40 5 IKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 ZINC000225866162 569409362 /nfs/dbraw/zinc/40/93/62/569409362.db2.gz XXVJZZXDLYYFBP-UHFFFAOYSA-N 0 0 433.508 5.772 40 5 IKBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 ZINC000225860281 569409457 /nfs/dbraw/zinc/40/94/57/569409457.db2.gz CIVQBTLKJSEVIM-UHFFFAOYSA-N 0 0 433.508 5.628 40 5 IKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 ZINC000225866201 569409464 /nfs/dbraw/zinc/40/94/64/569409464.db2.gz JYJCDWWQEWTWLU-UHFFFAOYSA-N 0 0 447.535 6.163 40 5 IKBBRN CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)c1cccc(Cl)c1 ZINC000028284618 569409527 /nfs/dbraw/zinc/40/95/27/569409527.db2.gz OGTLFZKMPDDWJP-UHFFFAOYSA-N 0 0 430.869 5.406 40 5 IKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000302916833 569410012 /nfs/dbraw/zinc/41/00/12/569410012.db2.gz NYNJSKKYVGBCCP-UHFFFAOYSA-N 0 0 443.410 5.408 40 5 IKBBRN O=C(NC12CC3CC(CC(C3)C1)C2)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000028467238 569410042 /nfs/dbraw/zinc/41/00/42/569410042.db2.gz YDRMMSFHULARGT-GCCNEOPLSA-N 0 0 434.580 5.518 40 5 IKBBRN CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2c1 ZINC000057313271 569430610 /nfs/dbraw/zinc/43/06/10/569430610.db2.gz PNDKGUQBNGYWIZ-DHZHZOJOSA-N 0 0 448.460 5.075 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(-c2ccccc2)o1 ZINC000057313241 569430698 /nfs/dbraw/zinc/43/06/98/569430698.db2.gz HVSJLRUDEPBPDU-CSKARUKUSA-N 0 0 441.896 5.343 40 5 IKBBRN CCCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c1 ZINC000057316220 569430820 /nfs/dbraw/zinc/43/08/20/569430820.db2.gz NGOLKLQATTXXKN-UHFFFAOYSA-N 0 0 438.528 5.212 40 5 IKBBRN O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000003068176 569439795 /nfs/dbraw/zinc/43/97/95/569439795.db2.gz PHBLAHBWXHAQDN-UHFFFAOYSA-N 0 0 430.283 5.156 40 5 IKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000218004433 569455656 /nfs/dbraw/zinc/45/56/56/569455656.db2.gz NSQVLLAIUFZZDY-UHFFFAOYSA-N 0 0 433.316 6.446 40 5 IKBBRN CC(=O)Nc1ccccc1/C=C/c1cc(/C=C/c2ccccc2)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000003845210 569456667 /nfs/dbraw/zinc/45/66/67/569456667.db2.gz BRLMFGFQBBPJDD-LDHFCIDVSA-N 0 0 429.432 5.802 40 5 IKBBRN O=[N+]([O-])c1c(Nc2cc(Cl)ccc2Cl)ncnc1Nc1cc(Cl)ccc1Cl ZINC000032099430 569459947 /nfs/dbraw/zinc/45/99/47/569459947.db2.gz YHMAHALLWDLUIU-UHFFFAOYSA-N 0 0 445.093 6.486 40 5 IKBBRN O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000032115111 569460255 /nfs/dbraw/zinc/46/02/55/569460255.db2.gz TWHBEQGFQUJVAH-UHFFFAOYSA-N 0 0 429.766 5.587 40 5 IKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1C ZINC000032116444 569460266 /nfs/dbraw/zinc/46/02/66/569460266.db2.gz CVMDZBKZOSDFFY-UHFFFAOYSA-N 0 0 446.488 5.147 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1 ZINC000032127283 569460361 /nfs/dbraw/zinc/46/03/61/569460361.db2.gz FQASRYGEBXCPTB-SDNWHVSQSA-N 0 0 435.439 6.208 40 5 IKBBRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000032127785 569460382 /nfs/dbraw/zinc/46/03/82/569460382.db2.gz WZLIBOIPDOWZBC-UHFFFAOYSA-N 0 0 443.846 6.462 40 5 IKBBRN Cc1ccc2c(c1)N(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)c1ssc(=S)c1-2 ZINC000059428131 569461370 /nfs/dbraw/zinc/46/13/70/569461370.db2.gz UORZPKCYHXZICA-UHFFFAOYSA-N 0 0 428.560 6.318 40 5 IKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1[N+](=O)[O-] ZINC000059463584 569461455 /nfs/dbraw/zinc/46/14/55/569461455.db2.gz GSVCGKXJLCSQSO-UHFFFAOYSA-N 0 0 446.444 5.546 40 5 IKBBRN O=[N+]([O-])c1ccc(N2CCCCCC2)c([C@H]2OCCCN2Cc2ccc(Cl)cc2)c1 ZINC000059490032 569461553 /nfs/dbraw/zinc/46/15/53/569461553.db2.gz CJDLWDHBEVTYIW-HSZRJFAPSA-N 0 0 429.948 5.550 40 5 IKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccccc3)[S@](=O)Cc3ccccc3)c2c1 ZINC000008651935 569469676 /nfs/dbraw/zinc/46/96/76/569469676.db2.gz FKEOUYLTWWQQQK-RCGNYENJSA-N 0 0 435.530 5.512 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000039860599 569481916 /nfs/dbraw/zinc/48/19/16/569481916.db2.gz IVLKJYKWTDDCNH-WOJGMQOQSA-N 0 0 426.837 5.749 40 5 IKBBRN O=[N+]([O-])c1cc(Br)c2ccccc2c1Nc1nc2ccccc2nc1Cl ZINC000408756620 569584161 /nfs/dbraw/zinc/58/41/61/569584161.db2.gz IJPKEWRURQBDCC-UHFFFAOYSA-N 0 0 429.661 5.851 40 5 IKBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(Cl)nc(-c2cccc(C(F)(F)F)c2)n1 ZINC000329068003 569584263 /nfs/dbraw/zinc/58/42/63/569584263.db2.gz YLXWJBFWTRZNHN-UHFFFAOYSA-N 0 0 429.185 6.121 40 5 IKBBRN Cc1cc(Br)ccc1NCc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408603630 193973039 /nfs/dbraw/zinc/97/30/39/193973039.db2.gz CBECLOYKANEBLC-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408613065 193979416 /nfs/dbraw/zinc/97/94/16/193979416.db2.gz XERMSCXQETULST-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN CC(C)Oc1ccccc1Cn1c2ccc(Br)cc2c2nc3ccccc3nc21 ZINC000002668008 519784588 /nfs/dbraw/zinc/78/45/88/519784588.db2.gz ZRWYFXBKGXPCKP-UHFFFAOYSA-N 0 0 446.348 6.336 40 5 IKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610601 519834167 /nfs/dbraw/zinc/83/41/67/519834167.db2.gz BDPRXZWJNBRPEN-AWNIVKPZSA-N 0 0 427.464 5.104 40 5 IKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3n2)cc1 ZINC000020610559 519834240 /nfs/dbraw/zinc/83/42/40/519834240.db2.gz UNKWRFQJWBGEGS-UHFFFAOYSA-N 0 0 435.871 5.358 40 5 IKBBRN CC(C)c1ccc([C@@H]2N[C@@H](c3ccc(C(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000033729869 519839641 /nfs/dbraw/zinc/83/96/41/519839641.db2.gz BVCSLKXDQKWPKT-NEWJYFPISA-N 0 0 439.556 5.636 40 5 IKBBRN CCCCOC(=O)c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000020583478 520725551 /nfs/dbraw/zinc/72/55/51/520725551.db2.gz TZZXTJLFNWUACX-UHFFFAOYSA-N 0 0 432.885 5.672 40 5 IKBBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 ZINC000020969978 520804790 /nfs/dbraw/zinc/80/47/90/520804790.db2.gz VXHMVMKMWANUBK-QFIPXVFZSA-N 0 0 443.438 5.011 40 5 IKBBRN CCOc1ccc(/N=c2/nc(-c3ccc(C)cc3)n(Cc3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000002666225 520860938 /nfs/dbraw/zinc/86/09/38/520860938.db2.gz MSFRIIOGAALDMC-IZHYLOQSSA-N 0 0 446.532 5.508 40 5 IKBBRN CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000020610510 520919061 /nfs/dbraw/zinc/91/90/61/520919061.db2.gz XYNBLRPGROMPAG-UHFFFAOYSA-N 0 0 445.479 5.103 40 5 IKBBRN Cc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000012487071 524236565 /nfs/dbraw/zinc/23/65/65/524236565.db2.gz OUOCCNFXBLUAFY-UHFFFAOYSA-N 0 0 435.281 5.100 40 5 IKBBRN COc1ccccc1/C=C/c1cc(/C=C\c2ccccc2OC)c([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016926245 524320419 /nfs/dbraw/zinc/32/04/19/524320419.db2.gz QOUIKXZFYIGUNQ-HEEUSZRZSA-N 0 0 432.432 5.861 40 5 IKBBRN COc1ccccc1NC(=O)CSc1ncnc2c3cc4ccccc4nc3sc21 ZINC000035313201 524599130 /nfs/dbraw/zinc/59/91/30/524599130.db2.gz UGXWHSNUZDIOQD-UHFFFAOYSA-N 0 0 432.530 5.132 40 5 IKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)Nc1ccccc1F ZINC000035313596 526233851 /nfs/dbraw/zinc/23/38/51/526233851.db2.gz KDXLQIOQHFRRIW-UHFFFAOYSA-N 0 0 434.521 5.571 40 5 IKBBRN O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020140549 527136067 /nfs/dbraw/zinc/13/60/67/527136067.db2.gz FJSZAJXJHFZFNU-UHFFFAOYSA-N 0 0 438.823 5.513 40 5 IKBBRN Cc1ncc(NC(=O)c2cccc([N+](=O)[O-])c2)n1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000041124342 527301071 /nfs/dbraw/zinc/30/10/71/527301071.db2.gz RZNLVBWPBNLKGD-UHFFFAOYSA-N 0 0 439.884 5.118 40 5 IKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccc(-c2ccccc2)cc1 ZINC000012834091 527461121 /nfs/dbraw/zinc/46/11/21/527461121.db2.gz VVCMVHZUXQCYGW-UHFFFAOYSA-N 0 0 447.494 5.611 40 5 IKBBRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000034859493 555510279 /nfs/dbraw/zinc/51/02/79/555510279.db2.gz RAIQOOBBQPAMMX-AATRIKPKSA-N 0 0 431.055 5.177 40 5 IKBBRN Cc1noc(/C=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1[N+](=O)[O-] ZINC000408545382 555795335 /nfs/dbraw/zinc/79/53/35/555795335.db2.gz YKOYGJSOIZIDIP-UITAMQMPSA-N 0 0 449.688 6.057 40 5 IKBBRN O=C1CS[C@@H](c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)N1c1ccc(Cl)cc1 ZINC000408557841 555895959 /nfs/dbraw/zinc/89/59/59/555895959.db2.gz QFBUSTMYCBERFT-QFIPXVFZSA-N 0 0 440.908 5.606 40 5 IKBBRN Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408619596 555983141 /nfs/dbraw/zinc/98/31/41/555983141.db2.gz JTESJTSKFGCEMI-UHFFFAOYSA-N 0 0 433.847 6.840 40 5 IKBBRN COc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)cc1 ZINC000408621530 555990273 /nfs/dbraw/zinc/99/02/73/555990273.db2.gz ONNIVNYNPSLMDE-UHFFFAOYSA-N 0 0 449.846 6.540 40 5 IKBBRN Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 ZINC000408693793 556099574 /nfs/dbraw/zinc/09/95/74/556099574.db2.gz DSFFXJOWHFRJRC-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN COc1cc2oc3cc(OC)c(OC)c(CC=C(C)C)c3c(=O)c2c(O)c1CC=C(C)C ZINC000004539100 556427652 /nfs/dbraw/zinc/42/76/52/556427652.db2.gz FCIKYGUVHWZSJV-UHFFFAOYSA-N 0 0 438.520 5.695 40 5 endogenous,in-man IKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408909921 556497310 /nfs/dbraw/zinc/49/73/10/556497310.db2.gz IXAGWLULUVTQQJ-LGUFXXKBSA-N 0 0 436.467 6.566 40 5 IKBBRN CC(C)=CCC/C(C)=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] ZINC000013537255 556513298 /nfs/dbraw/zinc/51/32/98/556513298.db2.gz GPJDIHDLTQEECK-GMBFBNGRSA-N 0 0 429.733 9.213 40 5 IKBBRN CC(=O)Nc1ccc(/N=c2/oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000016321169 556600351 /nfs/dbraw/zinc/60/03/51/556600351.db2.gz LIWCIVCVMICLDT-SJCQXOIGSA-N 0 0 444.494 6.320 40 5 IKBBRN Clc1cccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)c1 ZINC000016526075 556614395 /nfs/dbraw/zinc/61/43/95/556614395.db2.gz WJCIJDAZCMNWPR-FVDSYPCUSA-N 0 0 438.939 7.749 40 5 IKBBRN O=C(NCCC1=CCCCC1)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975452 556615660 /nfs/dbraw/zinc/61/56/60/556615660.db2.gz KMLRUEJYZZIRGM-UHFFFAOYSA-N 0 0 433.515 5.500 40 5 IKBBRN S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@@H](c2ccccc2)C1 ZINC000408975484 556615677 /nfs/dbraw/zinc/61/56/77/556615677.db2.gz KYVKOYXKJFNTQL-QGZVFWFLSA-N 0 0 440.597 6.184 40 5 IKBBRN O=C(NCCC1=CCCCC1)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975252 556615680 /nfs/dbraw/zinc/61/56/80/556615680.db2.gz LGZMNDZWBJBPJM-UHFFFAOYSA-N 0 0 433.515 5.500 40 5 IKBBRN COc1ccc(N(C)C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000408975773 556618838 /nfs/dbraw/zinc/61/88/38/556618838.db2.gz NBBJVLLFCXPXCQ-UHFFFAOYSA-N 0 0 445.482 5.165 40 5 IKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 ZINC000408783462 556620396 /nfs/dbraw/zinc/62/03/96/556620396.db2.gz LOJGTLBWYVMYOJ-VZIOXZNFSA-N 0 0 435.505 5.325 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000408830308 556620931 /nfs/dbraw/zinc/62/09/31/556620931.db2.gz NYHIIVAQQVFVFQ-UHFFFAOYSA-N 0 0 446.444 5.546 40 5 IKBBRN Cc1[nH]c2ccccc2c1[C@H]1c2cc([N+](=O)[O-])ccc2O[C@@]2(N3CCOCC3)CCCC[C@H]12 ZINC000033683866 556621243 /nfs/dbraw/zinc/62/12/43/556621243.db2.gz XTTZLFDVYNCVHM-NYMACZPPSA-N 0 0 447.535 5.128 40 5 IKBBRN CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117954 556630758 /nfs/dbraw/zinc/63/07/58/556630758.db2.gz YHFZJZOBFUWAPS-UHFFFAOYSA-N 0 0 426.900 6.146 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 ZINC000409182274 556633342 /nfs/dbraw/zinc/63/33/42/556633342.db2.gz JRLGWZHJVDTEBZ-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409222565 556635459 /nfs/dbraw/zinc/63/54/59/556635459.db2.gz BWMXAPRBHFHDBQ-HYARGMPZSA-N 0 0 448.500 5.773 40 5 IKBBRN O=c1[nH]c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 ZINC000409268456 556636401 /nfs/dbraw/zinc/63/64/01/556636401.db2.gz ZYXXVXFEQGXOQN-UHFFFAOYSA-N 0 0 427.338 5.722 40 5 IKBBRN 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ZINC000409113277 556803716 /nfs/dbraw/zinc/80/37/16/556803716.db2.gz FFEVIVHUHYNFGJ-UHFFFAOYSA-N 0 0 436.817 6.980 40 5 IKBBRN Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000409115513 556807019 /nfs/dbraw/zinc/80/70/19/556807019.db2.gz JJZMSIUMLAEVAC-UHFFFAOYSA-N 0 0 431.319 6.710 40 5 IKBBRN CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118272 556811928 /nfs/dbraw/zinc/81/19/28/556811928.db2.gz PLYOXDWETNRYRU-UHFFFAOYSA-N 0 0 440.927 6.455 40 5 IKBBRN COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119613 556813457 /nfs/dbraw/zinc/81/34/57/556813457.db2.gz TUNHZTHWQRCUIT-UHFFFAOYSA-N 0 0 447.318 6.410 40 5 IKBBRN CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409120029 556813930 /nfs/dbraw/zinc/81/39/30/556813930.db2.gz SLJMVZOPALKWJR-UHFFFAOYSA-N 0 0 440.927 6.455 40 5 IKBBRN O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013929555 556823824 /nfs/dbraw/zinc/82/38/24/556823824.db2.gz 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IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 ZINC000408821661 556866235 /nfs/dbraw/zinc/86/62/35/556866235.db2.gz JWXDGRFZPOTVCP-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN COc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408827091 556866486 /nfs/dbraw/zinc/86/64/86/556866486.db2.gz CHUQNKREGVGLBL-UHFFFAOYSA-N 0 0 445.500 5.955 40 5 IKBBRN Cc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1 ZINC000408834522 556867029 /nfs/dbraw/zinc/86/70/29/556867029.db2.gz UMUJFZZFKNMARA-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN COc1ccc(OC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000408974519 556905159 /nfs/dbraw/zinc/90/51/59/556905159.db2.gz AUHPFMKDELZPSN-UHFFFAOYSA-N 0 0 432.439 5.107 40 5 IKBBRN COc1cccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)c1 ZINC000408974717 556905406 /nfs/dbraw/zinc/90/54/06/556905406.db2.gz CGZNLLIRQMNSOE-UHFFFAOYSA-N 0 0 431.455 5.140 40 5 IKBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCCCCC1 ZINC000408977268 556906895 /nfs/dbraw/zinc/90/68/95/556906895.db2.gz WKYOGAPDZASQJX-UHFFFAOYSA-N 0 0 438.560 5.452 40 5 IKBBRN Cc1ccc(N(C)C(=S)Nc2ccc3nc4cc5c(cc4nc3c2)OCCO5)cc1C ZINC000408999567 556913999 /nfs/dbraw/zinc/91/39/99/556913999.db2.gz WVYNCHRFOSMIDZ-UHFFFAOYSA-N 0 0 430.533 5.004 40 5 IKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409011155 556918227 /nfs/dbraw/zinc/91/82/27/556918227.db2.gz MMLYXBOWWAOHRG-MQMKENTISA-N 0 0 442.493 5.017 40 5 IKBBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409015273 556920704 /nfs/dbraw/zinc/92/07/04/556920704.db2.gz ZGAUCPRLZDWZAY-JFENUBAZSA-N 0 0 446.912 5.662 40 5 IKBBRN CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409022567 556922996 /nfs/dbraw/zinc/92/29/96/556922996.db2.gz VJHMKDLKUXCETM-UDWIEESQSA-N 0 0 442.493 5.017 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1c1ccccc1 ZINC000409020405 556924271 /nfs/dbraw/zinc/92/42/71/556924271.db2.gz 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Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4cccc([N+](=O)[O-])c4)s3)cc2)cc1 ZINC000409179989 556985225 /nfs/dbraw/zinc/98/52/25/556985225.db2.gz SMONAWWHFMMHFD-UHFFFAOYSA-N 0 0 445.500 5.858 40 5 IKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409177134 556986437 /nfs/dbraw/zinc/98/64/37/556986437.db2.gz BQHWHNJNOAHNRW-UHFFFAOYSA-N 0 0 425.440 6.334 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409178714 556987121 /nfs/dbraw/zinc/98/71/21/556987121.db2.gz LXNVOBDEAKADJF-HXUWFJFHSA-N 0 0 430.243 5.683 40 5 IKBBRN CCOc1ccc(-c2cc(C(=O)OCc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000409179264 556987621 /nfs/dbraw/zinc/98/76/21/556987621.db2.gz OGKMDPVHSYWHQF-UHFFFAOYSA-N 0 0 428.444 5.566 40 5 IKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)C(c1ccccc1)c1ccccc1 ZINC000409180962 556989397 /nfs/dbraw/zinc/98/93/97/556989397.db2.gz ZTFVYBQCSMGANN-UHFFFAOYSA-N 0 0 439.467 6.262 40 5 IKBBRN O=C(COC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000409181665 556989777 /nfs/dbraw/zinc/98/97/77/556989777.db2.gz FUWINFAZWOGXMA-UHFFFAOYSA-N 0 0 445.855 5.578 40 5 IKBBRN COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000409197139 556994703 /nfs/dbraw/zinc/99/47/03/556994703.db2.gz WVEZWLGFYSAPMJ-IZHYLOQSSA-N 0 0 445.500 5.079 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000409177267 556995555 /nfs/dbraw/zinc/99/55/55/556995555.db2.gz GFKXYFGHJUNSER-UHFFFAOYSA-N 0 0 432.476 5.502 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000409178284 556996533 /nfs/dbraw/zinc/99/65/33/556996533.db2.gz GHOOSGMFTHBJHF-FQEVSTJZSA-N 0 0 440.249 5.138 40 5 IKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409179237 556996784 /nfs/dbraw/zinc/99/67/84/556996784.db2.gz QPLPYMMOBXLZLH-UHFFFAOYSA-N 0 0 444.852 5.665 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000409178826 556997037 /nfs/dbraw/zinc/99/70/37/556997037.db2.gz NOEGBMHXDMNEES-FQEVSTJZSA-N 0 0 430.243 5.683 40 5 IKBBRN Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1C ZINC000409179143 556998195 /nfs/dbraw/zinc/99/81/95/556998195.db2.gz NKPJDODTOFKOAU-UHFFFAOYSA-N 0 0 448.475 5.466 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409179637 556999054 /nfs/dbraw/zinc/99/90/54/556999054.db2.gz QUXSLADHOPEXBU-HXUWFJFHSA-N 0 0 430.243 5.683 40 5 IKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180364 556999222 /nfs/dbraw/zinc/99/92/22/556999222.db2.gz RRLAWKUWNFEYHQ-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000409181165 557000667 /nfs/dbraw/zinc/00/06/67/557000667.db2.gz YHJOGMONFGCKJC-UHFFFAOYSA-N 0 0 437.451 5.850 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 ZINC000409203072 557001795 /nfs/dbraw/zinc/00/17/95/557001795.db2.gz WDDHCVCEYDLCNI-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 ZINC000409181930 557002679 /nfs/dbraw/zinc/00/26/79/557002679.db2.gz GULLWDZXECVWKV-UHFFFAOYSA-N 0 0 448.475 5.466 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 ZINC000409182685 557002992 /nfs/dbraw/zinc/00/29/92/557002992.db2.gz NHTIJRNTVZZWTI-AREMUKBSSA-N 0 0 437.451 6.043 40 5 IKBBRN CCCCCN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409216020 557030472 /nfs/dbraw/zinc/03/04/72/557030472.db2.gz HJPIMDPLZUQTPY-HMAPJEAMSA-N 0 0 449.532 5.824 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 ZINC000408557835 557037837 /nfs/dbraw/zinc/03/78/37/557037837.db2.gz QENOFUPLPMJRJF-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 ZINC000408558029 557038156 /nfs/dbraw/zinc/03/81/56/557038156.db2.gz RPGMFXJZIJJGJK-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN Cc1ccc(NC(=O)COc2cccc(CNc3cccc([N+](=O)[O-])c3)c2)cc1Cl ZINC000408559375 557038801 /nfs/dbraw/zinc/03/88/01/557038801.db2.gz VJSGFAAXFJKRMI-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408559248 557038814 /nfs/dbraw/zinc/03/88/14/557038814.db2.gz YSXABJZZTAJUAB-UHFFFAOYSA-N 0 0 430.863 5.977 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408564082 557039132 /nfs/dbraw/zinc/03/91/32/557039132.db2.gz XNAUBXALOIEDQV-VHXPQNKSSA-N 0 0 439.537 5.155 40 5 IKBBRN COC(=O)c1ccc(Oc2ccc(-c3nc4ccccc4s3)cc2OC)c([N+](=O)[O-])c1 ZINC000409268422 557039790 /nfs/dbraw/zinc/03/97/90/557039790.db2.gz SYTJJBSQEYRPHQ-UHFFFAOYSA-N 0 0 436.445 5.459 40 5 IKBBRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408563079 557040377 /nfs/dbraw/zinc/04/03/77/557040377.db2.gz TZYDZRDXLYATRG-LNVKXUELSA-N 0 0 429.929 5.464 40 5 IKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000408573157 557041311 /nfs/dbraw/zinc/04/13/11/557041311.db2.gz SQTZZDIHWLBNCV-MRXNPFEDSA-N 0 0 443.743 5.646 40 5 IKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccccc2Cl)c(Cl)c1 ZINC000408566688 557041631 /nfs/dbraw/zinc/04/16/31/557041631.db2.gz FZCNYPYVXJBYFH-LJQANCHMSA-N 0 0 441.314 6.462 40 5 IKBBRN CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cccc3ccccc32)cc1 ZINC000408565040 557041760 /nfs/dbraw/zinc/04/17/60/557041760.db2.gz BBJRBXAQLMRTJJ-QFIPXVFZSA-N 0 0 434.521 5.238 40 5 IKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408571175 557041886 /nfs/dbraw/zinc/04/18/86/557041886.db2.gz OAQHDBJCJFHFEH-NRFANRHFSA-N 0 0 441.314 6.462 40 5 IKBBRN c1ccc2c(c1)Cc1ccc3c4ccc5c6c(ccc(c7ccc-2c1c37)c46)Cc1ccccc1-5 ZINC000098043875 557044650 /nfs/dbraw/zinc/04/46/50/557044650.db2.gz HKSRHNHDUAHAAT-UHFFFAOYSA-N 0 0 428.534 8.880 40 5 IKBBRN CCCOc1c(Br)cc(CNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000408604074 557069177 /nfs/dbraw/zinc/06/91/77/557069177.db2.gz DFVIKTKBHFXDBE-UHFFFAOYSA-N 0 0 444.123 5.521 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000408608941 557070220 /nfs/dbraw/zinc/07/02/20/557070220.db2.gz NDIXBFGCWDOGPP-UHFFFAOYSA-N 0 0 434.495 7.092 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 ZINC000408608011 557070272 /nfs/dbraw/zinc/07/02/72/557070272.db2.gz LQVCPOBDYNWHDI-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408609136 557070643 /nfs/dbraw/zinc/07/06/43/557070643.db2.gz OGLUOXJHKWJELV-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN COc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000408623211 557071294 /nfs/dbraw/zinc/07/12/94/557071294.db2.gz RQCLLTIAHSWWJX-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408618877 557075227 /nfs/dbraw/zinc/07/52/27/557075227.db2.gz HOWQXNATBGLVOL-UHFFFAOYSA-N 0 0 434.835 6.553 40 5 IKBBRN Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000408619497 557075275 /nfs/dbraw/zinc/07/52/75/557075275.db2.gz IQDMJQXGCVWEIM-UHFFFAOYSA-N 0 0 433.847 6.840 40 5 IKBBRN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408621645 557076007 /nfs/dbraw/zinc/07/60/07/557076007.db2.gz OXWYZGUSVFGKPF-UHFFFAOYSA-N 0 0 435.661 5.831 40 5 IKBBRN COc1cc(-c2nc3ccccc3s2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409264762 557078829 /nfs/dbraw/zinc/07/88/29/557078829.db2.gz RVSOSGLLKMIFOC-UHFFFAOYSA-N 0 0 446.406 6.691 40 5 IKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C=O)n2)cc1 ZINC000409390420 557095310 /nfs/dbraw/zinc/09/53/10/557095310.db2.gz VEEOAXDTDVZFOP-UHFFFAOYSA-N 0 0 435.383 5.043 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1 ZINC000408679783 557098018 /nfs/dbraw/zinc/09/80/18/557098018.db2.gz FHDGOYQOVMPJSH-JOCHJYFZSA-N 0 0 443.908 5.345 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2Cl)cc1 ZINC000408680280 557098485 /nfs/dbraw/zinc/09/84/85/557098485.db2.gz GAKIMPMPHRQRSQ-JOCHJYFZSA-N 0 0 443.908 5.345 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccc(C(=O)OCc2ccccc2)cc1 ZINC000004771219 557101557 /nfs/dbraw/zinc/10/15/57/557101557.db2.gz FIWBXZGDCOORGS-UHFFFAOYSA-N 0 0 426.812 5.216 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(C)c2)cc1 ZINC000408693585 557104154 /nfs/dbraw/zinc/10/41/54/557104154.db2.gz AKUMUWJVEGTHSY-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(C)c2)c1 ZINC000408694351 557104962 /nfs/dbraw/zinc/10/49/62/557104962.db2.gz JJENDYWXKYDUQJ-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(Cl)c2C)cc1 ZINC000408695058 557106146 /nfs/dbraw/zinc/10/61/46/557106146.db2.gz OLIVGXKJFNJFQS-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1ccccc1-n1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)nc1-c1cccc(Cl)c1 ZINC000408695288 557106479 /nfs/dbraw/zinc/10/64/79/557106479.db2.gz PLPJSXBORGICNZ-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1 ZINC000408695914 557106967 /nfs/dbraw/zinc/10/69/67/557106967.db2.gz UZBQYWPAKJFMNP-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2C)cc1 ZINC000408696234 557115311 /nfs/dbraw/zinc/11/53/11/557115311.db2.gz YIJJYBHEAUECFA-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c1 ZINC000408696303 557115555 /nfs/dbraw/zinc/11/55/55/557115555.db2.gz ZMNRDWKLLOCMKE-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN CC(C)(C)c1ccc(COc2nc3ccccc3nc2/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000014944073 557123551 /nfs/dbraw/zinc/12/35/51/557123551.db2.gz MCUCXCAISVDLQM-DTQAZKPQSA-N 0 0 439.515 6.585 40 5 IKBBRN O=C1S/C(=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)N1c1ccccc1 ZINC000409348713 557129376 /nfs/dbraw/zinc/12/93/76/557129376.db2.gz SFNPOFAEQSTYGZ-STZFKDTASA-N 0 0 432.457 5.415 40 5 IKBBRN Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)oc2cc1C ZINC000021578729 557153029 /nfs/dbraw/zinc/15/30/29/557153029.db2.gz LSLPHUJYPHLNRB-CSKARUKUSA-N 0 0 427.460 5.980 40 5 IKBBRN O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000408750876 557159466 /nfs/dbraw/zinc/15/94/66/557159466.db2.gz SUCZUKVXNNVXDK-UHFFFAOYSA-N 0 0 447.497 5.297 40 5 IKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 ZINC000408786641 557208894 /nfs/dbraw/zinc/20/88/94/557208894.db2.gz UJKVTJQYCVUAJM-FJWZAKCXSA-N 0 0 435.505 5.325 40 5 IKBBRN C[C@H]1CCCCN1c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000057313805 557244809 /nfs/dbraw/zinc/24/48/09/557244809.db2.gz BPWYJHAPSGAACY-ZDUSSCGKSA-N 0 0 429.929 6.094 40 5 IKBBRN C[C@@H]1CCCCN1c1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1 ZINC000057313803 557244873 /nfs/dbraw/zinc/24/48/73/557244873.db2.gz BPWYJHAPSGAACY-CYBMUJFWSA-N 0 0 429.929 6.094 40 5 IKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1Cl ZINC000057315714 557245432 /nfs/dbraw/zinc/24/54/32/557245432.db2.gz UKHAXEGSFAZHIR-UHFFFAOYSA-N 0 0 431.901 5.244 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408829538 557245583 /nfs/dbraw/zinc/24/55/83/557245583.db2.gz OEEMRXPBHHCPBS-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408833718 557250103 /nfs/dbraw/zinc/25/01/03/557250103.db2.gz URLRIWCAWOFKHU-UHFFFAOYSA-N 0 0 447.491 6.394 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1Cl ZINC000408836373 557253531 /nfs/dbraw/zinc/25/35/31/557253531.db2.gz QQHOGRLBKSRXDO-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN Cc1cc(Nc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccc(C)cc2)n1 ZINC000000822241 557266394 /nfs/dbraw/zinc/26/63/94/557266394.db2.gz LNJVVPLSGHACTJ-UHFFFAOYSA-N 0 0 427.464 5.393 40 5 IKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229387 557343318 /nfs/dbraw/zinc/34/33/18/557343318.db2.gz PXYHGAJZRRYXCM-LLVKDONJSA-N 0 0 442.730 6.186 40 5 IKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229382 557343537 /nfs/dbraw/zinc/34/35/37/557343537.db2.gz CLKIVDMOYAVGRF-NSHDSACASA-N 0 0 442.730 6.186 40 5 IKBBRN Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc1 ZINC000013614735 557377358 /nfs/dbraw/zinc/37/73/58/557377358.db2.gz JHHRLASDCSYYJQ-UUYOSTAYSA-N 0 0 448.862 5.480 40 5 IKBBRN CCC[C@@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@@H](CC)c1ccccc1 ZINC000004900987 557402124 /nfs/dbraw/zinc/40/21/24/557402124.db2.gz OICXZJZJTBTPPS-BKMJKUGQSA-N 0 0 432.520 7.033 40 5 IKBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408526837 557412923 /nfs/dbraw/zinc/41/29/23/557412923.db2.gz BTJDPGMWWNOENY-UHFFFAOYSA-N 0 0 447.834 5.717 40 5 IKBBRN O=C1CS[C@@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1c1ccc(Cl)cc1 ZINC000408558631 557416558 /nfs/dbraw/zinc/41/65/58/557416558.db2.gz VAJQLVWKGJADGB-QFIPXVFZSA-N 0 0 440.908 5.606 40 5 IKBBRN COc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl ZINC000408566778 557417631 /nfs/dbraw/zinc/41/76/31/557417631.db2.gz GCRJSYKUDCKPJH-QGZVFWFLSA-N 0 0 439.324 5.001 40 5 IKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccccc1 ZINC000408568549 557418092 /nfs/dbraw/zinc/41/80/92/557418092.db2.gz IAHCMZMRYCZWIF-QHCPKHFHSA-N 0 0 446.532 5.265 40 5 IKBBRN COc1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(OC)cc1Cl ZINC000408573261 557420054 /nfs/dbraw/zinc/42/00/54/557420054.db2.gz AFCNRRBUFNBHGG-LDADJPATSA-N 0 0 438.867 5.445 40 5 IKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000408581161 557420558 /nfs/dbraw/zinc/42/05/58/557420558.db2.gz GWNPOENUKLWLEV-UHFFFAOYSA-N 0 0 448.426 5.110 40 5 IKBBRN CC(=O)c1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1 ZINC000408581017 557420573 /nfs/dbraw/zinc/42/05/73/557420573.db2.gz GBWFKHVYMDRDRF-UHFFFAOYSA-N 0 0 433.411 5.733 40 5 IKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1cccc2ccccc21 ZINC000014131937 557421152 /nfs/dbraw/zinc/42/11/52/557421152.db2.gz FSEOYPIZWCCRCM-WPWMEQJKSA-N 0 0 445.543 7.383 40 5 IKBBRN CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408604879 557421371 /nfs/dbraw/zinc/42/13/71/557421371.db2.gz FPFSKVOXUPCMMJ-UHFFFAOYSA-N 0 0 430.863 5.977 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408610719 557421681 /nfs/dbraw/zinc/42/16/81/557421681.db2.gz RVDSSEDLEGMEJN-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408620378 557422218 /nfs/dbraw/zinc/42/22/18/557422218.db2.gz MEOQOEPJNWWZFE-UHFFFAOYSA-N 0 0 433.851 5.298 40 5 IKBBRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000014272470 557431921 /nfs/dbraw/zinc/43/19/21/557431921.db2.gz AAEUNXFMDRQPBP-UHFFFAOYSA-N 0 0 441.468 6.384 40 5 IKBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014273150 557432743 /nfs/dbraw/zinc/43/27/43/557432743.db2.gz QFRQMRILJZCOOS-UHFFFAOYSA-N 0 0 448.445 5.066 40 5 IKBBRN COc1ccc(-c2c(C)nn3c2N=C(c2cccc([N+](=O)[O-])c2)C[C@H]3c2cccnc2)cc1 ZINC000014607617 557447756 /nfs/dbraw/zinc/44/77/56/557447756.db2.gz CABZENKRUHPZHD-QHCPKHFHSA-N 0 0 439.475 5.284 40 5 IKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000000849440 557509649 /nfs/dbraw/zinc/50/96/49/557509649.db2.gz UQOOCAVORBECJE-UHFFFAOYSA-N 0 0 428.231 5.962 40 5 IKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000106717236 557531610 /nfs/dbraw/zinc/53/16/10/557531610.db2.gz MOXXZDHDHTWIKM-CHHVJCJISA-N 0 0 443.695 5.792 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106712612 557531679 /nfs/dbraw/zinc/53/16/79/557531679.db2.gz MQVFFELNJASKRA-CHHVJCJISA-N 0 0 443.695 5.792 40 5 IKBBRN CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC ZINC000106729167 557531842 /nfs/dbraw/zinc/53/18/42/557531842.db2.gz VDAZCTPKKUIVGZ-MOSHPQCFSA-N 0 0 442.493 5.019 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1c(F)cccc1Cl ZINC000106741411 557532413 /nfs/dbraw/zinc/53/24/13/557532413.db2.gz ITDZWDMXCZJFOZ-CHHVJCJISA-N 0 0 427.240 5.277 40 5 IKBBRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000224913641 557666284 /nfs/dbraw/zinc/66/62/84/557666284.db2.gz LDGZJYZFQUAWIX-UHFFFAOYSA-N 0 0 429.432 5.486 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)o1 ZINC000000861639 557831895 /nfs/dbraw/zinc/83/18/95/557831895.db2.gz CLOLAKJZJDWFFW-UHFFFAOYSA-N 0 0 441.443 5.668 40 5 IKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1[N+](=O)[O-] ZINC000000887005 557851345 /nfs/dbraw/zinc/85/13/45/557851345.db2.gz CXYQJIZBKAKDQY-UHFFFAOYSA-N 0 0 444.516 5.553 40 5 IKBBRN O=c1[nH]c2c(s1)[C@@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000000937173 568637700 /nfs/dbraw/zinc/63/77/00/568637700.db2.gz IWQRTZGOOAOWNC-LQSUGWPVSA-N 0 0 426.519 5.257 40 5 IKBBRN O=[N+]([O-])c1ccc(NCCOc2ccc(Cl)cc2)cc1NCCOc1ccccc1 ZINC000015162117 568731929 /nfs/dbraw/zinc/73/19/29/568731929.db2.gz LMOXJWUIILMZFW-UHFFFAOYSA-N 0 0 427.888 5.230 40 5 IKBBRN COc1cc2ccc3c(CCN(C)C(=O)CC(C)C)cc(OC)c(OC)c3c2cc1OC ZINC000263584855 568758865 /nfs/dbraw/zinc/75/88/65/568758865.db2.gz BPPAKTFNFXSOKO-UHFFFAOYSA-N 0 0 439.552 5.074 40 5 biogenic IKBBRN CC[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223020258 568775238 /nfs/dbraw/zinc/77/52/38/568775238.db2.gz QCXYIXHKEDHHLO-SJRDFNEDSA-N 0 0 440.543 6.282 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223114676 568779674 /nfs/dbraw/zinc/77/96/74/568779674.db2.gz XAQHRQLPNRXXLR-PKTZIBPZSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 ZINC000223123297 568779873 /nfs/dbraw/zinc/77/98/73/568779873.db2.gz UXYBJPIJPMNALY-GOTSBHOMSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 ZINC000223368128 568819843 /nfs/dbraw/zinc/81/98/43/568819843.db2.gz BXKHEYFHFMCZSL-FGZHOGPDSA-N 0 0 446.488 5.016 40 5 IKBBRN CC(C)(C)c1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000223426307 568827659 /nfs/dbraw/zinc/82/76/59/568827659.db2.gz WKTDUVYGEVMLJF-NCELDCMTSA-N 0 0 444.531 5.628 40 5 IKBBRN O=C(Nc1ccc(Cc2ccncc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223426138 568827671 /nfs/dbraw/zinc/82/76/71/568827671.db2.gz LXTPTJUXLDCDIU-LGUFXXKBSA-N 0 0 435.483 5.760 40 5 IKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000016283178 568875459 /nfs/dbraw/zinc/87/54/59/568875459.db2.gz CPKWJQVDLCNTTF-UHFFFAOYSA-N 0 0 437.459 5.351 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C/c2ccccc2Cl)cc1/C=C/c1ccccc1Cl ZINC000001714399 568880098 /nfs/dbraw/zinc/88/00/98/568880098.db2.gz ZOBSHOPXQIJEGN-WGDLNXRISA-N 0 0 441.270 7.151 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(Oc2cc(Cl)c(Cl)cc2Cl)cc1Br ZINC000001714709 568880362 /nfs/dbraw/zinc/88/03/62/568880362.db2.gz YETSGTWEHKFEFY-UHFFFAOYSA-N 0 0 442.436 6.018 40 5 IKBBRN O=C(Nc1cc(Cl)ccc1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000001737382 568885913 /nfs/dbraw/zinc/88/59/13/568885913.db2.gz IGODNLDXDKHPKR-UHFFFAOYSA-N 0 0 430.458 6.473 40 5 IKBBRN O=C(c1cccc2c(Cl)cccc12)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000016431563 568900333 /nfs/dbraw/zinc/90/03/33/568900333.db2.gz RSQRNMFZLZCYHA-UHFFFAOYSA-N 0 0 430.291 5.017 40 5 IKBBRN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c([N+](=O)[O-])c1 ZINC000016492233 568914810 /nfs/dbraw/zinc/91/48/10/568914810.db2.gz CXPZXEJOBULOHL-UHFFFAOYSA-N 0 0 433.445 6.117 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 ZINC000224188885 568915518 /nfs/dbraw/zinc/91/55/18/568915518.db2.gz OLTSMJAHAFAZCD-DHIUTWEWSA-N 0 0 442.500 5.427 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(Cl)c(C)c1 ZINC000224208011 568915965 /nfs/dbraw/zinc/91/59/65/568915965.db2.gz WROKQAFWNLIOPJ-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc2ccccc21 ZINC000224307248 568917682 /nfs/dbraw/zinc/91/76/82/568917682.db2.gz WPHYWZAHJYFWMO-UHFFFAOYSA-N 0 0 442.471 5.896 40 5 IKBBRN O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(Br)c2ccccc21 ZINC000016525400 568920760 /nfs/dbraw/zinc/92/07/60/568920760.db2.gz AVCSYQYAAGJYHL-UHFFFAOYSA-N 0 0 447.244 5.464 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000016610772 568925622 /nfs/dbraw/zinc/92/56/22/568925622.db2.gz JRBBHUFULIHRTR-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN CCCC(=O)Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl ZINC000016636997 568926769 /nfs/dbraw/zinc/92/67/69/568926769.db2.gz OMICCUGJXCWWEW-UHFFFAOYSA-N 0 0 440.681 5.002 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(Cl)c1 ZINC000224493989 568929711 /nfs/dbraw/zinc/92/97/11/568929711.db2.gz RRMDOQGGEGPVIG-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1OC ZINC000224582148 568940435 /nfs/dbraw/zinc/94/04/35/568940435.db2.gz GAKPOVVGXMJFAR-UHFFFAOYSA-N 0 0 436.464 5.142 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1OC ZINC000224582212 568940439 /nfs/dbraw/zinc/94/04/39/568940439.db2.gz LSEBFSUMWZSDMA-UHFFFAOYSA-N 0 0 436.464 5.142 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(OC)cc1 ZINC000224603946 568940939 /nfs/dbraw/zinc/94/09/39/568940939.db2.gz YNDXVATVINDBIS-UHFFFAOYSA-N 0 0 436.464 5.142 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cccc(OC)c1 ZINC000224593285 568940967 /nfs/dbraw/zinc/94/09/67/568940967.db2.gz CFXXIIIJUDWGMF-UHFFFAOYSA-N 0 0 436.464 5.142 40 5 IKBBRN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000006906678 569105420 /nfs/dbraw/zinc/10/54/20/569105420.db2.gz DSGHQPKLTZOUEJ-UHFFFAOYSA-N 0 0 433.851 5.724 40 5 IKBBRN Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=S)o2)c1 ZINC000016769482 569161587 /nfs/dbraw/zinc/16/15/87/569161587.db2.gz KDBGBXWXQVLYMW-UHFFFAOYSA-N 0 0 427.482 5.008 40 5 IKBBRN Cc1ccc(-c2nn(CC(=O)c3cccc([N+](=O)[O-])c3)c(=S)n2-c2ccccc2)cc1 ZINC000016769678 569161590 /nfs/dbraw/zinc/16/15/90/569161590.db2.gz JGQMAVIFYCZMAR-UHFFFAOYSA-N 0 0 430.489 5.170 40 5 IKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000017096467 569172483 /nfs/dbraw/zinc/17/24/83/569172483.db2.gz MWNDQIQGNCZKAD-UHFFFAOYSA-N 0 0 429.480 5.321 40 5 IKBBRN O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000017096762 569172748 /nfs/dbraw/zinc/17/27/48/569172748.db2.gz QEVWACJVFCQPAT-UHFFFAOYSA-N 0 0 430.291 5.017 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000017094598 569172836 /nfs/dbraw/zinc/17/28/36/569172836.db2.gz ZTPPEUXOCYAXPX-UHFFFAOYSA-N 0 0 425.655 6.376 40 5 IKBBRN COc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc2ccccc2c1Br ZINC000017099705 569173348 /nfs/dbraw/zinc/17/33/48/569173348.db2.gz SDAWLYYSJAESGU-UHFFFAOYSA-N 0 0 435.661 5.425 40 5 IKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000017098298 569173536 /nfs/dbraw/zinc/17/35/36/569173536.db2.gz QNTRJGXHYKMNMO-QPJJXVBHSA-N 0 0 433.247 5.822 40 5 IKBBRN CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1OC ZINC000017101289 569173756 /nfs/dbraw/zinc/17/37/56/569173756.db2.gz YYPIFJYTJJQRQK-UHFFFAOYSA-N 0 0 437.452 5.244 40 5 IKBBRN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2c1 ZINC000017098654 569173788 /nfs/dbraw/zinc/17/37/88/569173788.db2.gz UKSQAUPKFNRHFC-NYYWCZLTSA-N 0 0 433.851 6.017 40 5 IKBBRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000017101128 569173889 /nfs/dbraw/zinc/17/38/89/569173889.db2.gz KXSZOZWDPRCGFT-UHFFFAOYSA-N 0 0 437.308 5.364 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214901641 569191534 /nfs/dbraw/zinc/19/15/34/569191534.db2.gz FAMSDCNOLJOKCZ-YBFXNURJSA-N 0 0 440.864 5.745 40 5 IKBBRN O=C(CSc1nc2ccccc2o1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000139685444 569204888 /nfs/dbraw/zinc/20/48/88/569204888.db2.gz LYHFDXYEXFHNFG-UHFFFAOYSA-N 0 0 437.502 5.618 40 5 IKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 ZINC000214055483 569207860 /nfs/dbraw/zinc/20/78/60/569207860.db2.gz ZEPZYKAVWLKMCR-UDWIEESQSA-N 0 0 436.445 5.100 40 5 IKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000214502121 569208328 /nfs/dbraw/zinc/20/83/28/569208328.db2.gz CDBLQCKGMGCRJV-CIAFOILYSA-N 0 0 434.473 5.708 40 5 IKBBRN CCOc1ccc2cc(-c3cc4c5ccc(OCC)cc5oc(=O)c4c(C)n3)c(=O)oc2c1 ZINC000000856326 569212197 /nfs/dbraw/zinc/21/21/97/569212197.db2.gz GSBIFGYJWNSMPX-UHFFFAOYSA-N 0 0 443.455 5.220 40 5 IKBBRN CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225007922 569212458 /nfs/dbraw/zinc/21/24/58/569212458.db2.gz BQYXSNUFJFEREW-UHFFFAOYSA-N 0 0 440.565 5.278 40 5 IKBBRN Cc1ccc2c(Cl)c(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)sc2c1 ZINC000009062510 569219574 /nfs/dbraw/zinc/21/95/74/569219574.db2.gz LTKPDWYASKBQBZ-UHFFFAOYSA-N 0 0 430.898 5.542 40 5 IKBBRN Cc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C ZINC000033620409 569244951 /nfs/dbraw/zinc/24/49/51/569244951.db2.gz ZJTCOVZLHCMFLL-UHFFFAOYSA-N 0 0 429.483 5.749 40 5 IKBBRN CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000033700337 569245839 /nfs/dbraw/zinc/24/58/39/569245839.db2.gz NBQNDZKFKAIBQU-AATRIKPKSA-N 0 0 447.112 5.981 40 5 IKBBRN O=[N+]([O-])c1cccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)c1 ZINC000033749172 569246493 /nfs/dbraw/zinc/24/64/93/569246493.db2.gz SVNQAQAHXRRZDB-UHFFFAOYSA-N 0 0 435.343 5.098 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000034688546 569247195 /nfs/dbraw/zinc/24/71/95/569247195.db2.gz LRWCCQPNAJVZOT-UHFFFAOYSA-N 0 0 440.333 5.552 40 5 IKBBRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000034703509 569247363 /nfs/dbraw/zinc/24/73/63/569247363.db2.gz QSTMPBNDFBXSBD-MRXNPFEDSA-N 0 0 441.494 5.471 40 5 IKBBRN O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000034720973 569247526 /nfs/dbraw/zinc/24/75/26/569247526.db2.gz YHZFJRIEVQLDEK-UHFFFAOYSA-N 0 0 436.276 5.288 40 5 IKBBRN O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107633528 569250682 /nfs/dbraw/zinc/25/06/82/569250682.db2.gz RAJZROFXOZJBRV-UHFFFAOYSA-N 0 0 436.276 5.288 40 5 IKBBRN CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000107625797 569250702 /nfs/dbraw/zinc/25/07/02/569250702.db2.gz FVLLYEHAXNZJSO-AATRIKPKSA-N 0 0 447.112 5.981 40 5 IKBBRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000107741942 569251132 /nfs/dbraw/zinc/25/11/32/569251132.db2.gz GYLLWWSDMJGWMK-CYBMUJFWSA-N 0 0 439.493 5.201 40 5 IKBBRN COc1cc(/C=C/[N+](=O)[O-])c(Br)cc1OCc1ccc(Br)cc1 ZINC000107807836 569251408 /nfs/dbraw/zinc/25/14/08/569251408.db2.gz OWYNPKCNIQFJKT-VOTSOKGWSA-N 0 0 443.091 5.047 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)cc1 ZINC000108237319 569252746 /nfs/dbraw/zinc/25/27/46/569252746.db2.gz UQNVCYPBZWIATM-UHFFFAOYSA-N 0 0 435.343 5.098 40 5 IKBBRN O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000143934975 569255061 /nfs/dbraw/zinc/25/50/61/569255061.db2.gz ZXFNWRIKAJELNY-UHFFFAOYSA-N 0 0 446.846 5.503 40 5 IKBBRN CCCN(Cc1ccccc1)C(=S)Oc1ccc2nc3[nH]c4ccccc4c3nc2c1 ZINC000038187900 569258983 /nfs/dbraw/zinc/25/89/83/569258983.db2.gz VVRQCGBBSILIPL-UHFFFAOYSA-N 0 0 426.545 5.840 40 5 IKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(F)cc1Cl ZINC000215245926 569259045 /nfs/dbraw/zinc/25/90/45/569259045.db2.gz UIMDAKMYMATGDL-YDZHTSKRSA-N 0 0 447.918 7.022 40 5 IKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc(Cl)cc1 ZINC000214173056 569259087 /nfs/dbraw/zinc/25/90/87/569259087.db2.gz BOUBJMKHECYACD-OEAKJJBVSA-N 0 0 429.928 6.883 40 5 IKBBRN CCCN(Cc1ccccc1)C(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000038179349 569259094 /nfs/dbraw/zinc/25/90/94/569259094.db2.gz CMSBSQWMVMBOIP-UHFFFAOYSA-N 0 0 425.561 5.873 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1Cc1ccccc1 ZINC000214171187 569265319 /nfs/dbraw/zinc/26/53/19/569265319.db2.gz LWAWQJWFWYZIOX-YBFXNURJSA-N 0 0 440.864 5.745 40 5 IKBBRN Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000008832003 569291060 /nfs/dbraw/zinc/29/10/60/569291060.db2.gz HGNROZRNBIJBQC-UXBLZVDNSA-N 0 0 447.878 6.325 40 5 IKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008902999 569292222 /nfs/dbraw/zinc/29/22/22/569292222.db2.gz SAAUGSDLUFEEAD-AWNIVKPZSA-N 0 0 427.460 6.178 40 5 IKBBRN O=C1[C@@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 ZINC000008935024 569292578 /nfs/dbraw/zinc/29/25/78/569292578.db2.gz PTDYKQAKYRDLHK-USXZWKKNSA-N 0 0 448.478 5.018 40 5 IKBBRN COc1ccc(N2C(=O)CC[C@@H](Sc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 ZINC000065090585 569292849 /nfs/dbraw/zinc/29/28/49/569292849.db2.gz KUPPPQBRTMFCBP-VWNXMTODSA-N 0 0 434.517 5.632 40 5 IKBBRN COc1ccc([C@H](Nc2ccc(N)c([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000065090438 569292867 /nfs/dbraw/zinc/29/28/67/569292867.db2.gz CUNMYKRVYKXTTA-HXUWFJFHSA-N 0 0 437.433 5.339 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc21 ZINC000010010633 569299034 /nfs/dbraw/zinc/29/90/34/569299034.db2.gz VYWLPIVFLWCVGV-UHFFFAOYSA-N 0 0 429.841 5.379 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc21 ZINC000010010630 569299078 /nfs/dbraw/zinc/29/90/78/569299078.db2.gz KFTUNUOQQWAMDC-UHFFFAOYSA-N 0 0 429.841 5.379 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)nc21 ZINC000010010635 569299081 /nfs/dbraw/zinc/29/90/81/569299081.db2.gz NVTZXWRGXZOYGT-UHFFFAOYSA-N 0 0 443.868 5.687 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2oc(Cc3ccccc3)nc2c1 ZINC000010120089 569299254 /nfs/dbraw/zinc/29/92/54/569299254.db2.gz VWKAPEYAYKHLDH-YRNVUSSQSA-N 0 0 433.851 5.632 40 5 IKBBRN Cc1cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000010128930 569299430 /nfs/dbraw/zinc/29/94/30/569299430.db2.gz IJVVTGGOJJHQND-UHFFFAOYSA-N 0 0 434.835 5.582 40 5 IKBBRN O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372879 569299899 /nfs/dbraw/zinc/29/98/99/569299899.db2.gz GVCPAIATCJMUPE-UHFFFAOYSA-N 0 0 428.448 5.249 40 5 IKBBRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000010542816 569300599 /nfs/dbraw/zinc/30/05/99/569300599.db2.gz PFSCEEOUXNYFDF-UHFFFAOYSA-N 0 0 433.316 6.446 40 5 IKBBRN Cc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccc(F)cc3)nc12 ZINC000013388725 569315330 /nfs/dbraw/zinc/31/53/30/569315330.db2.gz YCLKPJCLXPYIKJ-UHFFFAOYSA-N 0 0 448.479 5.383 40 5 IKBBRN Cc1cccc2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(-c3ccc(F)cc3)nc12 ZINC000013388723 569315358 /nfs/dbraw/zinc/31/53/58/569315358.db2.gz JVYONLQRALCZSI-UHFFFAOYSA-N 0 0 448.479 5.383 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3)o2)cc1Cl ZINC000019634923 569323873 /nfs/dbraw/zinc/32/38/73/569323873.db2.gz OHFBUXCNFMBYLU-PKNBQFBNSA-N 0 0 441.896 5.343 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3[N+](=O)[O-])o2)cc1Cl ZINC000019634950 569324160 /nfs/dbraw/zinc/32/41/60/569324160.db2.gz ZLXXUSDOBLAJJH-PKNBQFBNSA-N 0 0 441.896 5.343 40 5 IKBBRN Cc1ccc(-c2nc3cc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000019635877 569324189 /nfs/dbraw/zinc/32/41/89/569324189.db2.gz LWEVZZNCNVYDOR-UHFFFAOYSA-N 0 0 442.475 5.564 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000019643263 569324880 /nfs/dbraw/zinc/32/48/80/569324880.db2.gz IQALVAAMIGSTBD-MRXNPFEDSA-N 0 0 445.475 5.934 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000019639798 569324929 /nfs/dbraw/zinc/32/49/29/569324929.db2.gz LVRRGPBIYRDWAW-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000019638299 569324949 /nfs/dbraw/zinc/32/49/49/569324949.db2.gz AHEIRJDLAJSATO-UHFFFAOYSA-N 0 0 443.507 5.540 40 5 IKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000019645817 569324993 /nfs/dbraw/zinc/32/49/93/569324993.db2.gz SGBXNYMIPREWNO-UHFFFAOYSA-N 0 0 447.447 5.046 40 5 IKBBRN COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000019894511 569331666 /nfs/dbraw/zinc/33/16/66/569331666.db2.gz WRTQSPLSWGMWNR-UHFFFAOYSA-N 0 0 449.463 5.785 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1cccc(-c2ccc(CO)o2)c1 ZINC000020145336 569335970 /nfs/dbraw/zinc/33/59/70/569335970.db2.gz HQZISHGLYGXIDJ-JLHYYAGUSA-N 0 0 430.416 5.259 40 5 IKBBRN COc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1-c1ccc(CO)o1 ZINC000020140613 569335994 /nfs/dbraw/zinc/33/59/94/569335994.db2.gz LQXSKZAVTAAHKI-UHFFFAOYSA-N 0 0 448.431 5.176 40 5 IKBBRN O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020139622 569336017 /nfs/dbraw/zinc/33/60/17/569336017.db2.gz OBOSBXLMZTWZNT-UHFFFAOYSA-N 0 0 428.853 5.468 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 ZINC000020142664 569336021 /nfs/dbraw/zinc/33/60/21/569336021.db2.gz LTXALENAZOWVPU-UHFFFAOYSA-N 0 0 449.507 5.144 40 5 IKBBRN O=C(OCCC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000020429042 569365308 /nfs/dbraw/zinc/36/53/08/569365308.db2.gz DFYJSZBZWUYXOK-UHFFFAOYSA-N 0 0 447.963 5.113 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCCCC2)c(F)c1 ZINC000021576266 569390059 /nfs/dbraw/zinc/39/00/59/569390059.db2.gz URMXACMNTFKNJA-JLHYYAGUSA-N 0 0 435.455 5.636 40 5 IKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3Cl)cc2[N+](=O)[O-])CC1 ZINC000021595810 569391881 /nfs/dbraw/zinc/39/18/81/569391881.db2.gz ADLURENFDFWINR-UHFFFAOYSA-N 0 0 441.837 5.756 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 ZINC000021595963 569391889 /nfs/dbraw/zinc/39/18/89/569391889.db2.gz IKRSHTSWNAHREU-UHFFFAOYSA-N 0 0 427.682 5.115 40 5 IKBBRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 ZINC000021595265 569391897 /nfs/dbraw/zinc/39/18/97/569391897.db2.gz CCXMRRLJRLIQMS-ACCUITESSA-N 0 0 431.492 5.743 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022528982 569403372 /nfs/dbraw/zinc/40/33/72/569403372.db2.gz KLDUFFNRFYXUOB-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OC(C)C ZINC000225756870 569408117 /nfs/dbraw/zinc/40/81/17/569408117.db2.gz SJKGGXOKHGRCNH-UHFFFAOYSA-N 0 0 440.496 5.009 40 5 IKBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771634 569408445 /nfs/dbraw/zinc/40/84/45/569408445.db2.gz PWYVVUSJGABYFU-UHFFFAOYSA-N 0 0 448.519 5.470 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc(-c3nnc(-c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)o3)o2)cc1 ZINC000002764902 569420510 /nfs/dbraw/zinc/42/05/10/569420510.db2.gz LXFYPKDPHHYRQL-UHFFFAOYSA-N 0 0 444.359 5.740 40 5 IKBBRN Cc1ccc(S(=O)(=O)c2nc(SCc3ccc([N+](=O)[O-])cc3)sc2Cl)cc1 ZINC000057291947 569430501 /nfs/dbraw/zinc/43/05/01/569430501.db2.gz PZWRBUYDYVMUQA-UHFFFAOYSA-N 0 0 440.955 5.138 40 5 IKBBRN CC(C)CC(=O)Nc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1 ZINC000057313789 569430665 /nfs/dbraw/zinc/43/06/65/569430665.db2.gz PATHMTGAEJKIDG-UHFFFAOYSA-N 0 0 431.901 5.700 40 5 IKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000057316998 569430843 /nfs/dbraw/zinc/43/08/43/569430843.db2.gz SQFROVJIUCZKAH-UHFFFAOYSA-N 0 0 435.661 5.201 40 5 IKBBRN Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3c4ccccc4cc4ccccc43)C2)c(=O)o1 ZINC000227173222 569431690 /nfs/dbraw/zinc/43/16/90/569431690.db2.gz CBFKYFUNUOZLOG-DEOSSOPVSA-N 0 0 446.506 6.638 40 5 IKBBRN O=C(Nc1cccc2ccccc21)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003138269 569440773 /nfs/dbraw/zinc/44/07/73/569440773.db2.gz NKLNXWXVRWSPMJ-UHFFFAOYSA-N 0 0 439.383 5.120 40 5 IKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC000030945799 569451324 /nfs/dbraw/zinc/45/13/24/569451324.db2.gz YFXZSWRFKYQODD-UHFFFAOYSA-N 0 0 442.730 5.406 40 5 IKBBRN CC(=O)Nc1cc(NC(C)=O)c(/C=C/c2ccccc2)c([N+](=O)[O-])c1/C=C/c1ccccc1 ZINC000003845327 569456645 /nfs/dbraw/zinc/45/66/45/569456645.db2.gz MLSRZXQOUBZKLY-WXUKJITCSA-N 0 0 441.487 5.852 40 5 IKBBRN O=[N+]([O-])c1ccc(SCN(CSc2ccc([N+](=O)[O-])cc2)Cc2ccccc2)cc1 ZINC000031670206 569456990 /nfs/dbraw/zinc/45/69/90/569456990.db2.gz CAVSKPFVLVHALV-UHFFFAOYSA-N 0 0 441.534 5.805 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(Br)cc1Cl ZINC000059294236 569460835 /nfs/dbraw/zinc/46/08/35/569460835.db2.gz AQRWVJKSLVMZRG-JXMROGBWSA-N 0 0 447.672 5.923 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccccc1 ZINC000059418136 569461262 /nfs/dbraw/zinc/46/12/62/569461262.db2.gz OWNWJJZDAWGNSU-WOJGMQOQSA-N 0 0 426.837 5.749 40 5 IKBBRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000059417218 569461265 /nfs/dbraw/zinc/46/12/65/569461265.db2.gz QYIIUCUGACMQJO-UHFFFAOYSA-N 0 0 436.773 6.312 40 5 IKBBRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccccc1[N+](=O)[O-] ZINC000059417220 569461302 /nfs/dbraw/zinc/46/13/02/569461302.db2.gz OWEGOEKVTDLUMD-UHFFFAOYSA-N 0 0 436.773 6.312 40 5 IKBBRN Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000059428128 569461378 /nfs/dbraw/zinc/46/13/78/569461378.db2.gz UIPJKIUAVBJVFK-UHFFFAOYSA-N 0 0 428.560 6.318 40 5 IKBBRN Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@@H]2C)c(-c2ccccc2)o1 ZINC000059432071 569461407 /nfs/dbraw/zinc/46/14/07/569461407.db2.gz MMWBHLIHBIWZSW-HNNXBMFYSA-N 0 0 439.899 5.168 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000059459838 569461457 /nfs/dbraw/zinc/46/14/57/569461457.db2.gz JWPJDQDABZSUMU-WQRHYEAKSA-N 0 0 426.837 5.749 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463592 569461476 /nfs/dbraw/zinc/46/14/76/569461476.db2.gz UGQUSWMOXBLGFU-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)c[nH]c2c1 ZINC000059459168 569461483 /nfs/dbraw/zinc/46/14/83/569461483.db2.gz QMHHYTUNGUFYOX-UHFFFAOYSA-N 0 0 427.489 5.616 40 5 IKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(-c4ccccc4)n3Cc3ccccc3)c[nH]c2c1 ZINC000059489571 569461555 /nfs/dbraw/zinc/46/15/55/569461555.db2.gz CHAPUOYKVKMVCP-UHFFFAOYSA-N 0 0 441.516 5.675 40 5 IKBBRN CCCCOC(=O)c1cc([N+](=O)[O-])c(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000059489746 569461595 /nfs/dbraw/zinc/46/15/95/569461595.db2.gz WXUZKOHJRFMJJH-UHFFFAOYSA-N 0 0 433.467 5.221 40 5 IKBBRN Cn1c(Cc2cccc3ccccc32)nnc1Sc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000059489589 569461601 /nfs/dbraw/zinc/46/16/01/569461601.db2.gz DYANEQNNYWVBHQ-UHFFFAOYSA-N 0 0 433.518 5.228 40 5 IKBBRN Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccc([N+](=O)[O-])cc4)sc3c2)cc1 ZINC000059505858 569461681 /nfs/dbraw/zinc/46/16/81/569461681.db2.gz YSPFQKCIMCSJLN-UHFFFAOYSA-N 0 0 435.530 6.058 40 5 IKBBRN CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000096094924 717140955 /nfs/dbraw/zinc/14/09/55/717140955.db2.gz RBFQHRALHSUPIA-KKUFMJEISA-O 0 0 448.668 6.225 40 5 in-vitro IKBBRN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372858 132335675 /nfs/dbraw/zinc/33/56/75/132335675.db2.gz OTDPWJJSTJXLAA-UHFFFAOYSA-N 0 0 427.932 5.689 40 5 IKBBRN CC(C)(C)c1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc([N+](=O)[O-])cc3)=NN2)cc1 ZINC000012485509 519025682 /nfs/dbraw/zinc/02/56/82/519025682.db2.gz NTJKOHRIBJISIB-UHFFFAOYSA-N 0 0 432.911 5.980 40 5 IKBBRN CC(C)c1ccc([C@H]2CC(c3ccc([N+](=O)[O-])cc3)=NN2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020550262 519840290 /nfs/dbraw/zinc/84/02/90/519840290.db2.gz JHHOCBPCDASKOH-XMMPIXPASA-N 0 0 430.464 5.982 40 5 IKBBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020797364 525023443 /nfs/dbraw/zinc/02/34/43/525023443.db2.gz OCXXMMIYTJWCJZ-HSZRJFAPSA-N 0 0 439.475 5.181 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000020140619 525747322 /nfs/dbraw/zinc/74/73/22/525747322.db2.gz NNAYKUCEZILJQT-UHFFFAOYSA-N 0 0 432.432 5.476 40 5 IKBBRN COc1cc2ccnc(-c3c4ccccc4c(N)c4c3ccc(OC)c4OC)c2cc1OC ZINC000001624059 555706821 /nfs/dbraw/zinc/70/68/21/555706821.db2.gz CYOHXLOJNUNXSP-UHFFFAOYSA-N 0 0 440.499 5.825 40 5 IKBBRN O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1sc2cc(Cl)ccc2c1Cl ZINC000035108915 555779469 /nfs/dbraw/zinc/77/94/69/555779469.db2.gz RDVVJXPVOCKBTN-UHFFFAOYSA-N 0 0 426.306 5.243 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2C)c1 ZINC000408693820 556099579 /nfs/dbraw/zinc/09/95/79/556099579.db2.gz FIRQMXTZMUFIII-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] ZINC000008652760 556196588 /nfs/dbraw/zinc/19/65/88/556196588.db2.gz GPJDIHDLTQEECK-SXWUTELSSA-N 0 0 429.733 9.213 40 5 IKBBRN COc1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c32)cc1 ZINC000009239121 556265572 /nfs/dbraw/zinc/26/55/72/556265572.db2.gz UODQIDUSFARIKM-UHFFFAOYSA-N 0 0 440.340 7.493 40 5 IKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000214609553 556336279 /nfs/dbraw/zinc/33/62/79/556336279.db2.gz LKJMUNKMROMPIG-CIAFOILYSA-N 0 0 434.473 5.708 40 5 IKBBRN COC(=O)c1ccc2ccc3ccc(/C=C\c4ccc5ccc6ccccc6c5c4)cc3c2c1 ZINC000013408295 556504868 /nfs/dbraw/zinc/50/48/68/556504868.db2.gz KSRHJYPSCIGNOD-SREVYHEPSA-N 0 0 438.526 8.256 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2Cl)cc1 ZINC000408679786 556615146 /nfs/dbraw/zinc/61/51/46/556615146.db2.gz FHDGOYQOVMPJSH-QFIPXVFZSA-N 0 0 443.908 5.345 40 5 IKBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)NC1CCCCC1 ZINC000408974630 556615282 /nfs/dbraw/zinc/61/52/82/556615282.db2.gz FSRCLULZCVGKBL-UHFFFAOYSA-N 0 0 438.560 5.499 40 5 IKBBRN O=C(Nc1ccc(F)cc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975038 556615684 /nfs/dbraw/zinc/61/56/84/556615684.db2.gz IXSLPHONFCTJMJ-UHFFFAOYSA-N 0 0 434.434 5.663 40 5 IKBBRN CN(C(=O)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 ZINC000408975195 556615689 /nfs/dbraw/zinc/61/56/89/556615689.db2.gz KFVBAKDURFAXPZ-UHFFFAOYSA-N 0 0 430.471 5.548 40 5 IKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1 ZINC000408696288 556615701 /nfs/dbraw/zinc/61/57/01/556615701.db2.gz ZHTJKITZDAXLKM-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)cc2)c1 ZINC000408696216 556615758 /nfs/dbraw/zinc/61/57/58/556615758.db2.gz XUEPWEVBOKTVMG-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408802593 556620372 /nfs/dbraw/zinc/62/03/72/556620372.db2.gz ZFMOAENOFBZBOT-BGFDVPSISA-N 0 0 436.557 5.957 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1cccnc1 ZINC000408826542 556621064 /nfs/dbraw/zinc/62/10/64/556621064.db2.gz JTKZKEUSUCEQAG-UHFFFAOYSA-N 0 0 436.880 5.686 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 ZINC000409140470 556631297 /nfs/dbraw/zinc/63/12/97/556631297.db2.gz DWIQXUUBFQSOSA-PXLXIMEGSA-N 0 0 448.500 5.832 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2Cl)cc1/C=C\c1ccccc1Cl ZINC000005080543 556631686 /nfs/dbraw/zinc/63/16/86/556631686.db2.gz ZOBSHOPXQIJEGN-HWAYABPNSA-N 0 0 441.270 7.151 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 ZINC000409173873 556633111 /nfs/dbraw/zinc/63/31/11/556633111.db2.gz OMDGMAZSDLWFAS-UHFFFAOYSA-N 0 0 428.238 5.507 40 5 IKBBRN COc1cc(CNc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409181213 556633334 /nfs/dbraw/zinc/63/33/34/556633334.db2.gz ZDUNOPCBGKZHTN-UHFFFAOYSA-N 0 0 429.816 5.569 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 ZINC000409184196 556633381 /nfs/dbraw/zinc/63/33/81/556633381.db2.gz YAFSGQWOXJKUOH-UHFFFAOYSA-N 0 0 428.238 5.507 40 5 IKBBRN Cc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C ZINC000408978404 556633518 /nfs/dbraw/zinc/63/35/18/556633518.db2.gz ZLXBDNYPGRZFQA-UHFFFAOYSA-N 0 0 444.498 6.140 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O ZINC000409234420 556635845 /nfs/dbraw/zinc/63/58/45/556635845.db2.gz ZWFNVNYNJWRPEW-DEDYPNTBSA-N 0 0 442.493 5.019 40 5 IKBBRN CC(C)N1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409018285 556721864 /nfs/dbraw/zinc/72/18/64/556721864.db2.gz KJMCVBXXYRGXFI-LPYMAVHISA-N 0 0 448.500 5.772 40 5 IKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000409054358 556757938 /nfs/dbraw/zinc/75/79/38/556757938.db2.gz VCUVYLYCYYKHJD-UHFFFAOYSA-N 0 0 449.463 5.785 40 5 IKBBRN O=C1Nc2ccccc2S/C1=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000409092443 556793422 /nfs/dbraw/zinc/79/34/22/556793422.db2.gz YHIUSRSYOAEXCL-UDWIEESQSA-N 0 0 440.933 6.485 40 5 IKBBRN CCOc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccccc2)cc1 ZINC000409098658 556795529 /nfs/dbraw/zinc/79/55/29/556795529.db2.gz JBXQDKORZBMVGO-UHFFFAOYSA-N 0 0 432.505 5.534 40 5 IKBBRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc([N+](=O)[O-])c2)cc1 ZINC000409101076 556796662 /nfs/dbraw/zinc/79/66/62/556796662.db2.gz PJJPYHOPVQGPOP-UHFFFAOYSA-N 0 0 446.532 5.457 40 5 IKBBRN O=C1Nc2ccccc2S/C1=C/c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000409104218 556797594 /nfs/dbraw/zinc/79/75/94/556797594.db2.gz BVRGXWWPJPENSQ-UDWIEESQSA-N 0 0 440.933 6.485 40 5 IKBBRN COc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409110777 556800974 /nfs/dbraw/zinc/80/09/74/556800974.db2.gz YMGWBSARMCZVRL-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN CCc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409112703 556803156 /nfs/dbraw/zinc/80/31/56/556803156.db2.gz GECPSILMMVJPOL-UHFFFAOYSA-N 0 0 441.325 6.111 40 5 IKBBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)c2ccccc21 ZINC000409118996 556811934 /nfs/dbraw/zinc/81/19/34/556811934.db2.gz ROXIZNYWVGALDY-MOSHPQCFSA-N 0 0 434.879 5.734 40 5 IKBBRN CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118402 556811938 /nfs/dbraw/zinc/81/19/38/556811938.db2.gz QCPYCCTXPKOBGC-UHFFFAOYSA-N 0 0 431.319 6.655 40 5 IKBBRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409119082 556812198 /nfs/dbraw/zinc/81/21/98/556812198.db2.gz QLZSBCFKHPLNRF-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409132560 556843059 /nfs/dbraw/zinc/84/30/59/556843059.db2.gz KOSQURZGMLHPGY-KIJZHVTOSA-N 0 0 443.503 5.302 40 5 IKBBRN c1cc2ccc1CCc1ccc(c3c1ccc1c4ccc(c13)CCc1ccc(cc1)CC4)CC2 ZINC000068568377 556848754 /nfs/dbraw/zinc/84/87/54/556848754.db2.gz GDFSGVVAPNOFRU-UHFFFAOYSA-N 0 0 438.614 7.761 40 5 IKBBRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408797144 556857235 /nfs/dbraw/zinc/85/72/35/556857235.db2.gz GIGSBEHXJAXOSU-UHFFFAOYSA-N 0 0 444.851 5.410 40 5 IKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000408824297 556865564 /nfs/dbraw/zinc/86/55/64/556865564.db2.gz GQTUXFONONYAOY-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(Cl)cc1Cl ZINC000408821665 556866277 /nfs/dbraw/zinc/86/62/77/556866277.db2.gz JYARZOVVMDBKNU-UHFFFAOYSA-N 0 0 436.320 6.230 40 5 IKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3C)s2)c1 ZINC000408827128 556866475 /nfs/dbraw/zinc/86/64/75/556866475.db2.gz MEQPPVPLHYSXAN-UHFFFAOYSA-N 0 0 443.528 6.563 40 5 IKBBRN COc1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408833532 556867001 /nfs/dbraw/zinc/86/70/01/556867001.db2.gz SXSHJSSBEAYAAF-UHFFFAOYSA-N 0 0 431.473 5.646 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CCCc1ccccc1 ZINC000409137756 556872407 /nfs/dbraw/zinc/87/24/07/556872407.db2.gz YOBZYVXHVZMTIB-RCCKNPSSSA-N 0 0 434.473 5.524 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409143358 556873868 /nfs/dbraw/zinc/87/38/68/556873868.db2.gz LXHQURQUNRZZCG-PXLXIMEGSA-N 0 0 448.500 5.832 40 5 IKBBRN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408975787 556905980 /nfs/dbraw/zinc/90/59/80/556905980.db2.gz NMLGXGLEZRYHIG-UHFFFAOYSA-N 0 0 440.528 5.087 40 5 IKBBRN Cc1ccc(NC(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408976919 556906521 /nfs/dbraw/zinc/90/65/21/556906521.db2.gz SXQYTKVRMAFJKC-UHFFFAOYSA-N 0 0 430.471 5.832 40 5 IKBBRN CC1CCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 ZINC000408977536 556906919 /nfs/dbraw/zinc/90/69/19/556906919.db2.gz WNDMOJXOLFQDOC-UHFFFAOYSA-N 0 0 438.560 5.308 40 5 IKBBRN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408992495 556911420 /nfs/dbraw/zinc/91/14/20/556911420.db2.gz ADXFGJQNZNZFJI-BQYQJAHWSA-N 0 0 437.412 5.001 40 5 IKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(F)cc1 ZINC000409053068 556931311 /nfs/dbraw/zinc/93/13/11/556931311.db2.gz WXZSMJJWFLPYKU-UHFFFAOYSA-N 0 0 437.427 5.916 40 5 IKBBRN CCOc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409113330 556958368 /nfs/dbraw/zinc/95/83/68/556958368.db2.gz AIBNLMBTQWSDME-UHFFFAOYSA-N 0 0 442.899 5.847 40 5 IKBBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c2ccccc21 ZINC000409120236 556961305 /nfs/dbraw/zinc/96/13/05/556961305.db2.gz SOOXBBYCVWHQGT-MOSHPQCFSA-N 0 0 434.879 5.734 40 5 IKBBRN CCOc1cc(CO)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409114666 556962655 /nfs/dbraw/zinc/96/26/55/556962655.db2.gz KUDHTTIETIUQQY-UHFFFAOYSA-N 0 0 436.180 5.059 40 5 IKBBRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409132562 556963911 /nfs/dbraw/zinc/96/39/11/556963911.db2.gz KOSQURZGMLHPGY-LWJGVMBGSA-N 0 0 443.503 5.302 40 5 IKBBRN Cc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1[N+](=O)[O-] ZINC000409166293 556979809 /nfs/dbraw/zinc/97/98/09/556979809.db2.gz CVAOLJRZCGRMBJ-UHFFFAOYSA-N 0 0 426.538 5.244 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409168297 556982914 /nfs/dbraw/zinc/98/29/14/556982914.db2.gz PUACZONBLJXVCD-LICLKQGHSA-N 0 0 444.230 5.259 40 5 IKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409173926 556984786 /nfs/dbraw/zinc/98/47/86/556984786.db2.gz PONKVOZWBDLMRS-UHFFFAOYSA-N 0 0 427.254 5.189 40 5 IKBBRN Cc1ccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409177294 556986389 /nfs/dbraw/zinc/98/63/89/556986389.db2.gz CSEZQPGQTDVEIT-UHFFFAOYSA-N 0 0 434.448 5.158 40 5 IKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000409178678 556987089 /nfs/dbraw/zinc/98/70/89/556987089.db2.gz MRBAFBRAMAEWOS-UHFFFAOYSA-N 0 0 437.451 5.850 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409178707 556987126 /nfs/dbraw/zinc/98/71/26/556987126.db2.gz LXNVOBDEAKADJF-FQEVSTJZSA-N 0 0 430.243 5.683 40 5 IKBBRN O=C(COC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000409176727 556995071 /nfs/dbraw/zinc/99/50/71/556995071.db2.gz WAVMQBCLFHQMFD-UHFFFAOYSA-N 0 0 429.787 5.219 40 5 IKBBRN CCC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000409176652 556995099 /nfs/dbraw/zinc/99/50/99/556995099.db2.gz UIBIWMPZCKPGTJ-XMMPIXPASA-N 0 0 446.459 5.033 40 5 IKBBRN O=C(COC(=O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1ccc(F)cc1 ZINC000409176986 556995323 /nfs/dbraw/zinc/99/53/23/556995323.db2.gz CYZHVKUFIPJYGX-UHFFFAOYSA-N 0 0 429.787 5.219 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000409178535 556996242 /nfs/dbraw/zinc/99/62/42/556996242.db2.gz KUOVJPWKXFLUGD-HXUWFJFHSA-N 0 0 440.249 5.138 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000409181047 557000369 /nfs/dbraw/zinc/00/03/69/557000369.db2.gz ZKAQOILVURXHLL-UHFFFAOYSA-N 0 0 432.476 5.502 40 5 IKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3[N+](=O)[O-])n2C)cc1C ZINC000409205197 557003363 /nfs/dbraw/zinc/00/33/63/557003363.db2.gz ADPGHWMTRDKADE-QPLCGJKRSA-N 0 0 443.528 5.687 40 5 IKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 ZINC000409206188 557003897 /nfs/dbraw/zinc/00/38/97/557003897.db2.gz VUWSDLSRZBRXIV-IZHYLOQSSA-N 0 0 429.501 5.378 40 5 IKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1C ZINC000409197535 557012317 /nfs/dbraw/zinc/01/23/17/557012317.db2.gz ICALAIIGCKVKHV-QPLCGJKRSA-N 0 0 443.528 5.687 40 5 IKBBRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000409199049 557012673 /nfs/dbraw/zinc/01/26/73/557012673.db2.gz NLHMDZDZUQSIRE-BZZOAKBMSA-N 0 0 449.919 5.723 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O ZINC000409232714 557024314 /nfs/dbraw/zinc/02/43/14/557024314.db2.gz BMXGCFPGESSKPM-DEDYPNTBSA-N 0 0 442.493 5.019 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409214477 557027259 /nfs/dbraw/zinc/02/72/59/557027259.db2.gz VLEJPOXNHHNAIX-YBFXNURJSA-N 0 0 440.864 6.058 40 5 IKBBRN Cc1noc(/C=C/c2cc(Br)ccc2OCc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000408543953 557034562 /nfs/dbraw/zinc/03/45/62/557034562.db2.gz QZEJINCQWOVSQT-XBXARRHUSA-N 0 0 433.233 5.542 40 5 IKBBRN O=C(Nc1ccc(Br)cc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000409257848 557035365 /nfs/dbraw/zinc/03/53/65/557035365.db2.gz QSLPJRHHRLABJQ-LDADJPATSA-N 0 0 441.256 5.676 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1 ZINC000408558464 557038278 /nfs/dbraw/zinc/03/82/78/557038278.db2.gz RJKQYJLRAUFHGW-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000408560035 557039439 /nfs/dbraw/zinc/03/94/39/557039439.db2.gz BQAKRTPGSZCXNS-QOCHGBHMSA-N 0 0 436.320 5.501 40 5 IKBBRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408560142 557039442 /nfs/dbraw/zinc/03/94/42/557039442.db2.gz CDMIMRPZYQIHIU-UHFFFAOYSA-N 0 0 427.791 5.643 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408563351 557040453 /nfs/dbraw/zinc/04/04/53/557040453.db2.gz VLAGLDHYUSTSAN-LNVKXUELSA-N 0 0 429.929 5.410 40 5 IKBBRN CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408562929 557040478 /nfs/dbraw/zinc/04/04/78/557040478.db2.gz SJWDWXXWQDRDPI-LNVKXUELSA-N 0 0 429.929 5.464 40 5 IKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1Cl ZINC000408572207 557041074 /nfs/dbraw/zinc/04/10/74/557041074.db2.gz QVGGXRURUUJXFK-HXUWFJFHSA-N 0 0 436.895 5.818 40 5 IKBBRN O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408567114 557041640 /nfs/dbraw/zinc/04/16/40/557041640.db2.gz PRVBLZJYHJYTGH-LHLOQNFPSA-N 0 0 434.495 6.041 40 5 IKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccccc2OCc2ccccc2)n1-c1ccccc1 ZINC000408568546 557041683 /nfs/dbraw/zinc/04/16/83/557041683.db2.gz IAHCMZMRYCZWIF-HSZRJFAPSA-N 0 0 446.532 5.265 40 5 IKBBRN COc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc1Cl ZINC000408566774 557041720 /nfs/dbraw/zinc/04/17/20/557041720.db2.gz GCRJSYKUDCKPJH-KRWDZBQOSA-N 0 0 439.324 5.001 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000408574449 557043104 /nfs/dbraw/zinc/04/31/04/557043104.db2.gz QTKZGGAYMVWVTI-DHZHZOJOSA-N 0 0 427.869 5.035 40 5 IKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2C(C)=O)nnc1-c1ccc(Cl)cc1Cl ZINC000408582714 557044831 /nfs/dbraw/zinc/04/48/31/557044831.db2.gz PJRWNYWBVAKTNG-UHFFFAOYSA-N 0 0 437.308 5.534 40 5 IKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 ZINC000408576138 557045565 /nfs/dbraw/zinc/04/55/65/557045565.db2.gz XJWZWXZXDFOURZ-INIZCTEOSA-N 0 0 427.288 5.132 40 5 IKBBRN Cc1cc(Br)ccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408610985 557065206 /nfs/dbraw/zinc/06/52/06/557065206.db2.gz PJTUPANANGRVRD-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408603936 557069058 /nfs/dbraw/zinc/06/90/58/557069058.db2.gz CERAUDSKRLZYLZ-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F ZINC000408606494 557069882 /nfs/dbraw/zinc/06/98/82/557069882.db2.gz ICZKJGAHLCFHMC-UHFFFAOYSA-N 0 0 430.863 5.977 40 5 IKBBRN CC1CCN(C(=O)CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc43)C2=O)CC1 ZINC000409347092 557075555 /nfs/dbraw/zinc/07/55/55/557075555.db2.gz OGILFJJVCDOABJ-HZHRSRAPSA-N 0 0 444.556 5.288 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409235489 557077061 /nfs/dbraw/zinc/07/70/61/557077061.db2.gz BNASEBFZBXXEMW-FYJGNVAPSA-N 0 0 435.505 5.353 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 ZINC000408681352 557099024 /nfs/dbraw/zinc/09/90/24/557099024.db2.gz HVSNNGXOQAXDAB-JOCHJYFZSA-N 0 0 443.908 5.345 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 ZINC000408681354 557099029 /nfs/dbraw/zinc/09/90/29/557099029.db2.gz HVSNNGXOQAXDAB-QFIPXVFZSA-N 0 0 443.908 5.345 40 5 IKBBRN O=C(c1cccc([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000408683695 557100466 /nfs/dbraw/zinc/10/04/66/557100466.db2.gz NIBXEALGXSQZPW-MHZLTWQESA-N 0 0 447.494 6.507 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(Cl)ccc2C)cc1 ZINC000408696097 557102078 /nfs/dbraw/zinc/10/20/78/557102078.db2.gz WCLZQAOZXDONGH-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1 ZINC000408693571 557104053 /nfs/dbraw/zinc/10/40/53/557104053.db2.gz AGCLCETYQXBICI-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1cccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cc(C)ccc2C)c1 ZINC000408694537 557105606 /nfs/dbraw/zinc/10/56/06/557105606.db2.gz KDUGDNZYSNWYCF-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccccc1 ZINC000409340500 557119038 /nfs/dbraw/zinc/11/90/38/557119038.db2.gz YFDYHEYLAGIXCG-AREMUKBSSA-N 0 0 435.483 5.961 40 5 IKBBRN O=C1S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(Cl)c1 ZINC000409349582 557128802 /nfs/dbraw/zinc/12/88/02/557128802.db2.gz QWOXYNWKPSONBI-UNOMPAQXSA-N 0 0 439.880 5.339 40 5 IKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1[N+](=O)[O-] ZINC000408727683 557140740 /nfs/dbraw/zinc/14/07/40/557140740.db2.gz RMRIQYVLMDAJRX-ODLFYWEKSA-N 0 0 440.864 6.058 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc(Br)ccc1O ZINC000016401656 557154737 /nfs/dbraw/zinc/15/47/37/557154737.db2.gz WLADCDWZKKFRGJ-UHFFFAOYSA-N 0 0 444.237 5.212 40 5 IKBBRN O=C(CN(c1ccc(Br)cc1)C1=NCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000016768621 557155841 /nfs/dbraw/zinc/15/58/41/557155841.db2.gz FJPRJPDRMXEKQW-UHFFFAOYSA-N 0 0 430.302 5.019 40 5 IKBBRN O=C(Nc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1)c1ccco1 ZINC000021596013 557155950 /nfs/dbraw/zinc/15/59/50/557155950.db2.gz LVOZYFYTUNBFFY-UHFFFAOYSA-N 0 0 441.852 5.561 40 5 IKBBRN CCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(Br)cc2C)C1=O ZINC000408757941 557170945 /nfs/dbraw/zinc/17/09/45/557170945.db2.gz SMZZGPOMJCAVDJ-UHFFFAOYSA-N 0 0 439.265 5.102 40 5 IKBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2ccccc2Cl)c1)c1ccccc1Cl ZINC000013984299 557199855 /nfs/dbraw/zinc/19/98/55/557199855.db2.gz RQIYMVOVGIVTAX-UHFFFAOYSA-N 0 0 430.247 5.406 40 5 IKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408781829 557203856 /nfs/dbraw/zinc/20/38/56/557203856.db2.gz FHRZXRCEBHYRGF-RWTNITNYSA-N 0 0 449.532 5.634 40 5 IKBBRN Cc1ccc(-c2csc(=Nc3ccccc3)n2CCNc2ccccc2[N+](=O)[O-])cc1 ZINC000584906147 557213449 /nfs/dbraw/zinc/21/34/49/557213449.db2.gz OPURHTXMGMXARC-UHFFFAOYSA-N 0 0 430.533 5.778 40 5 IKBBRN O=C1NC(Nc2ccccc2F)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408802476 557213510 /nfs/dbraw/zinc/21/35/10/557213510.db2.gz YHPIIQWPRLGUOT-UHFFFAOYSA-N 0 0 444.851 5.410 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2cc(-c3cccc([N+](=O)[O-])c3)cc(-c3cccc([N+](=O)[O-])c3)c2)c1 ZINC000100070385 557225192 /nfs/dbraw/zinc/22/51/92/557225192.db2.gz SYMWBBQLYABKQL-UHFFFAOYSA-N 0 0 441.399 6.412 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1 ZINC000408824055 557238758 /nfs/dbraw/zinc/23/87/58/557238758.db2.gz PEUQVHQVVKUWHP-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccccc1[N+](=O)[O-] ZINC000408824453 557239768 /nfs/dbraw/zinc/23/97/68/557239768.db2.gz HSBGEVDFRQROHJ-UHFFFAOYSA-N 0 0 446.444 5.546 40 5 IKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)C2=O)c1 ZINC000214578369 557241144 /nfs/dbraw/zinc/24/11/44/557241144.db2.gz BWZASJXDICGOAO-CIAFOILYSA-N 0 0 434.473 5.708 40 5 IKBBRN Cc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000013151247 557302769 /nfs/dbraw/zinc/30/27/69/557302769.db2.gz TZMCZTYSCAZPBT-UHFFFAOYSA-N 0 0 435.281 5.100 40 5 aggregator IKBBRN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000013371641 557309159 /nfs/dbraw/zinc/30/91/59/557309159.db2.gz WDRPDMSXELYOIZ-UHFFFAOYSA-N 0 0 427.416 5.359 40 5 IKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229388 557343322 /nfs/dbraw/zinc/34/33/22/557343322.db2.gz PXYHGAJZRRYXCM-NSHDSACASA-N 0 0 442.730 6.186 40 5 IKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1 ZINC000072229347 557343551 /nfs/dbraw/zinc/34/35/51/557343551.db2.gz AIWPZUYFJMPHLD-UHFFFAOYSA-N 0 0 438.709 5.253 40 5 IKBBRN CCN(CC)c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229346 557343563 /nfs/dbraw/zinc/34/35/63/557343563.db2.gz PYFMOLODZSSUES-UHFFFAOYSA-N 0 0 426.698 5.109 40 5 IKBBRN CC1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229385 557343584 /nfs/dbraw/zinc/34/35/84/557343584.db2.gz NMSCJVRQRQWVOL-UHFFFAOYSA-N 0 0 442.730 6.044 40 5 IKBBRN O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000841324 557383054 /nfs/dbraw/zinc/38/30/54/557383054.db2.gz NREOEKWPUHMJRK-UHFFFAOYSA-N 0 0 443.699 5.250 40 5 IKBBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1Cl ZINC000408526409 557413064 /nfs/dbraw/zinc/41/30/64/557413064.db2.gz AKECMNOXYITZEB-UHFFFAOYSA-N 0 0 440.268 5.239 40 5 IKBBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000408545496 557416084 /nfs/dbraw/zinc/41/60/84/557416084.db2.gz ZGLDYLUDVNSUBQ-UXBLZVDNSA-N 0 0 445.269 5.412 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408556725 557416453 /nfs/dbraw/zinc/41/64/53/557416453.db2.gz KEWGMJAUQGNYMC-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408560655 557416720 /nfs/dbraw/zinc/41/67/20/557416720.db2.gz DUTJDZFWJMUZCK-QOCHGBHMSA-N 0 0 436.320 5.501 40 5 IKBBRN CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408551466 557416788 /nfs/dbraw/zinc/41/67/88/557416788.db2.gz CWUGXKDJAMPXRZ-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1 ZINC000408565256 557417132 /nfs/dbraw/zinc/41/71/32/557417132.db2.gz BLQBLNJFVPPDPE-NRFANRHFSA-N 0 0 436.895 5.818 40 5 IKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1F ZINC000408566191 557417619 /nfs/dbraw/zinc/41/76/19/557417619.db2.gz FAQPQGNBSGCMOD-NRFANRHFSA-N 0 0 434.467 5.693 40 5 IKBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000408562144 557418297 /nfs/dbraw/zinc/41/82/97/557418297.db2.gz NFVTVCWOWMEJBJ-QOCHGBHMSA-N 0 0 436.320 5.501 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408563103 557418338 /nfs/dbraw/zinc/41/83/38/557418338.db2.gz UCMOVUHEISJNPQ-LNVKXUELSA-N 0 0 445.928 5.110 40 5 IKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 ZINC000408573149 557418998 /nfs/dbraw/zinc/41/89/98/557418998.db2.gz SQTZZDIHWLBNCV-INIZCTEOSA-N 0 0 443.743 5.646 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000408576405 557419066 /nfs/dbraw/zinc/41/90/66/557419066.db2.gz XWPHKPNQTVPLAC-DHZHZOJOSA-N 0 0 427.869 5.035 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000408604871 557421414 /nfs/dbraw/zinc/42/14/14/557421414.db2.gz FPBPWFJRUIYUAN-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN CCCCc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000014269549 557428734 /nfs/dbraw/zinc/42/87/34/557428734.db2.gz ONFRFAKKJOMBMJ-UHFFFAOYSA-N 0 0 440.569 5.055 40 5 IKBBRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c(C)c1 ZINC000014272556 557431911 /nfs/dbraw/zinc/43/19/11/557431911.db2.gz VDYCVKLSCVRXGX-BJMVGYQFSA-N 0 0 447.878 6.325 40 5 IKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2ccc3ccccc3c2)c1 ZINC000024522832 557439450 /nfs/dbraw/zinc/43/94/50/557439450.db2.gz AXLWTXBDSSAFAQ-FYWRMAATSA-N 0 0 433.467 6.441 40 5 IKBBRN COc1ccc([C@@H]2C=C(Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1[N+](=O)[O-] ZINC000103768037 557441555 /nfs/dbraw/zinc/44/15/55/557441555.db2.gz RVOIAXAXPQYGBU-QFIPXVFZSA-N 0 0 429.476 5.304 40 5 IKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccccc3)[S@@](=O)Cc3ccccc3)c2c1 ZINC000005734123 557473009 /nfs/dbraw/zinc/47/30/09/557473009.db2.gz FKEOUYLTWWQQQK-QUALYTPQSA-N 0 0 435.530 5.512 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106736105 557531870 /nfs/dbraw/zinc/53/18/70/557531870.db2.gz WAQCWFGRSJCOCK-UUASQNMZSA-N 0 0 427.240 5.277 40 5 IKBBRN O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000106745610 557532351 /nfs/dbraw/zinc/53/23/51/557532351.db2.gz AKLYOIDSIKNNIK-PDGQHHTCSA-N 0 0 438.486 5.576 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1C ZINC000224615383 557631144 /nfs/dbraw/zinc/63/11/44/557631144.db2.gz VQLJTLPXKQBWGG-UHFFFAOYSA-N 0 0 448.519 6.058 40 5 IKBBRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1 ZINC000224922935 557667452 /nfs/dbraw/zinc/66/74/52/557667452.db2.gz MZTSYZHPAKRINP-UHFFFAOYSA-N 0 0 443.459 5.876 40 5 IKBBRN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)c1 ZINC000033541035 557808383 /nfs/dbraw/zinc/80/83/83/557808383.db2.gz WBCVHBKPABOQKI-UHFFFAOYSA-N 0 0 441.443 5.668 40 5 IKBBRN O=C1N[C@H](c2c3ccccc3cc3ccccc32)Nc2c1sc(=S)n2-c1ccccc1 ZINC000059459471 557821383 /nfs/dbraw/zinc/82/13/83/557821383.db2.gz ODRQMAJJIKQUMI-JOCHJYFZSA-N 0 0 439.565 6.429 40 5 IKBBRN O=C(Nc1ccc(NC(=O)c2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000861591 557831885 /nfs/dbraw/zinc/83/18/85/557831885.db2.gz QLNYJWXYUGMFRH-UHFFFAOYSA-N 0 0 427.416 5.359 40 5 IKBBRN O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc21)Nc1cccc([N+](=O)[O-])c1 ZINC000000869925 557832019 /nfs/dbraw/zinc/83/20/19/557832019.db2.gz VGCFRGPGBXWZAM-UHFFFAOYSA-N 0 0 434.452 5.075 40 5 IKBBRN CCc1ccc(-c2nc3cc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000003190941 562932652 /nfs/dbraw/zinc/93/26/52/562932652.db2.gz VHBBLCKAKLHXDF-UHFFFAOYSA-N 0 0 432.392 5.126 40 5 IKBBRN CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(Br)cc1)=N2 ZINC000008687010 562962947 /nfs/dbraw/zinc/96/29/47/562962947.db2.gz DIGXBHFXVQRLEZ-UHFFFAOYSA-N 0 0 449.308 5.354 40 5 IKBBRN Cc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C(C)(C)C)c1 ZINC000000959158 568646279 /nfs/dbraw/zinc/64/62/79/568646279.db2.gz TYUFEQAWCYRPFO-UHFFFAOYSA-N 0 0 425.510 5.342 40 5 IKBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000214798123 568654363 /nfs/dbraw/zinc/65/43/63/568654363.db2.gz TWPQGLNLIFCXRX-LZYBPNLTSA-N 0 0 439.276 5.147 40 5 IKBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000015277129 568752861 /nfs/dbraw/zinc/75/28/61/568752861.db2.gz QMYBKNKDAAKUDT-UHFFFAOYSA-N 0 0 427.810 5.510 40 5 IKBBRN CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000223020323 568775564 /nfs/dbraw/zinc/77/55/64/568775564.db2.gz QCXYIXHKEDHHLO-PAZQBSDDSA-N 0 0 440.543 6.282 40 5 IKBBRN Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000001312271 568779498 /nfs/dbraw/zinc/77/94/98/568779498.db2.gz YCJDVPBMFLYZSB-UHFFFAOYSA-N 0 0 426.428 5.158 40 5 IKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223110450 568779689 /nfs/dbraw/zinc/77/96/89/568779689.db2.gz FNRYYTHDSWAEPR-DHIUTWEWSA-N 0 0 447.564 5.086 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223123530 568779888 /nfs/dbraw/zinc/77/98/88/568779888.db2.gz LYZKQLSAOFDQSB-XZOQPEGZSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 ZINC000223368283 568819837 /nfs/dbraw/zinc/81/98/37/568819837.db2.gz BXKHEYFHFMCZSL-VXKWHMMOSA-N 0 0 446.488 5.016 40 5 IKBBRN CCCc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000223426546 568827665 /nfs/dbraw/zinc/82/76/65/568827665.db2.gz ZMGOZGYLIGRDRW-NCELDCMTSA-N 0 0 430.504 5.283 40 5 IKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026124480 568851493 /nfs/dbraw/zinc/85/14/93/568851493.db2.gz BWBRTRJVJNGLOO-UHFFFAOYSA-N 0 0 442.262 5.196 40 5 IKBBRN O=C(NCCOc1cccc2ccccc21)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223509936 568852489 /nfs/dbraw/zinc/85/24/89/568852489.db2.gz ZANLAQQBDOEUSP-NCELDCMTSA-N 0 0 438.483 5.484 40 5 IKBBRN COc1ccc(-c2ccc(C(=O)Nc3nc4cc(Cl)ccc4s3)o2)c([N+](=O)[O-])c1 ZINC000016215691 568872935 /nfs/dbraw/zinc/87/29/35/568872935.db2.gz LLOJBFXTEUVEKE-UHFFFAOYSA-N 0 0 429.841 5.379 40 5 IKBBRN O=[N+]([O-])c1ccc(Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c([N+](=O)[O-])c1 ZINC000001677202 568877448 /nfs/dbraw/zinc/87/74/48/568877448.db2.gz CLAUHXSEYLJTIH-UHFFFAOYSA-N 0 0 432.430 6.562 40 5 IKBBRN O=C(Nc1nnc(-c2ccccc2)s1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000224017181 568880774 /nfs/dbraw/zinc/88/07/74/568880774.db2.gz CAJAHQFZELFMHG-HMMYKYKNSA-N 0 0 428.473 5.293 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1Cl ZINC000224139507 568906586 /nfs/dbraw/zinc/90/65/86/568906586.db2.gz NDMHYGCMYQWPEB-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000001789053 568907098 /nfs/dbraw/zinc/90/70/98/568907098.db2.gz VVRGLDDAAUKFJT-UDWIEESQSA-N 0 0 434.835 5.172 40 5 IKBBRN O=[N+]([O-])c1ccc(SC(c2ccccc2)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000016477654 568909406 /nfs/dbraw/zinc/90/94/06/568909406.db2.gz YCEMIIUNJIYKLI-UHFFFAOYSA-N 0 0 442.496 6.587 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224187041 568915410 /nfs/dbraw/zinc/91/54/10/568915410.db2.gz DCQRUCSWDYGHKY-UHFFFAOYSA-N 0 0 448.519 6.041 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224189198 568915438 /nfs/dbraw/zinc/91/54/38/568915438.db2.gz XRYZMVSGEUAXHO-PKTZIBPZSA-N 0 0 442.500 5.427 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224181250 568915495 /nfs/dbraw/zinc/91/54/95/568915495.db2.gz SHIPMSQTVFILIN-GOTSBHOMSA-N 0 0 442.500 5.427 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1C ZINC000224283108 568917265 /nfs/dbraw/zinc/91/72/65/568917265.db2.gz KYUGNUZYAYKAHX-UHFFFAOYSA-N 0 0 434.492 5.668 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nc2c1 ZINC000016610907 568925574 /nfs/dbraw/zinc/92/55/74/568925574.db2.gz SSEAUPQMHVHSRC-HNNXBMFYSA-N 0 0 429.476 6.477 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000016610855 568925621 /nfs/dbraw/zinc/92/56/21/568925621.db2.gz SQQXSRGYNSEFFC-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016610722 568925630 /nfs/dbraw/zinc/92/56/30/568925630.db2.gz RFHVTEJLMLABIZ-MRXNPFEDSA-N 0 0 445.475 5.934 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610676 568925634 /nfs/dbraw/zinc/92/56/34/568925634.db2.gz RXYBXAXEFDDQNB-JIIJFUIFSA-N 0 0 441.487 6.568 40 5 IKBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000006501588 568927878 /nfs/dbraw/zinc/92/78/78/568927878.db2.gz RUZYHSHMGGSIPW-UHFFFAOYSA-N 0 0 433.895 5.626 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1 ZINC000224537743 568937633 /nfs/dbraw/zinc/93/76/33/568937633.db2.gz YQMZLXIWIHYHTM-UHFFFAOYSA-N 0 0 434.492 5.750 40 5 IKBBRN O=C(/N=c1\scc(-c2ccc(Cl)cc2)n1-c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000016711347 569160008 /nfs/dbraw/zinc/16/00/08/569160008.db2.gz ICBAVVAQXQVKPX-GYHWCHFESA-N 0 0 435.892 5.509 40 5 IKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000017095632 569172273 /nfs/dbraw/zinc/17/22/73/569172273.db2.gz HFQPBVFMNZTCSU-UHFFFAOYSA-N 0 0 427.844 5.499 40 5 IKBBRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017096287 569172620 /nfs/dbraw/zinc/17/26/20/569172620.db2.gz VPHGETSOIMFMSS-UHFFFAOYSA-N 0 0 429.219 5.357 40 5 IKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000017097454 569173081 /nfs/dbraw/zinc/17/30/81/569173081.db2.gz RAXLMZJXQHVXIX-UHFFFAOYSA-N 0 0 431.448 5.589 40 5 IKBBRN O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccccc1[N+](=O)[O-] ZINC000017095679 569173083 /nfs/dbraw/zinc/17/30/83/569173083.db2.gz NRNLIHVBJDAYET-UHFFFAOYSA-N 0 0 428.231 5.962 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000017099739 569173526 /nfs/dbraw/zinc/17/35/26/569173526.db2.gz WUMFUBPDLFIPSJ-DHZHZOJOSA-N 0 0 435.892 6.177 40 5 IKBBRN O=C(Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1)c1cc2ccccc2o1 ZINC000017099716 569173899 /nfs/dbraw/zinc/17/38/99/569173899.db2.gz CRALTLHEXGVGFC-UHFFFAOYSA-N 0 0 435.823 5.499 40 5 IKBBRN CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224754342 569185253 /nfs/dbraw/zinc/18/52/53/569185253.db2.gz WWPAMLXZSXGCFJ-UHFFFAOYSA-N 0 0 440.565 5.278 40 5 IKBBRN CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000224920651 569192481 /nfs/dbraw/zinc/19/24/81/569192481.db2.gz LRWZHTZCZMQARN-UHFFFAOYSA-N 0 0 429.432 5.568 40 5 IKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000197766492 569209215 /nfs/dbraw/zinc/20/92/15/569209215.db2.gz IFOMKHMKEUUTNZ-UHFFFAOYSA-N 0 0 436.577 5.935 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225032624 569213737 /nfs/dbraw/zinc/21/37/37/569213737.db2.gz AMBKQDYQHVDREW-VXKWHMMOSA-N 0 0 434.521 5.165 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225026713 569213741 /nfs/dbraw/zinc/21/37/41/569213741.db2.gz DPAKPFCXNRDXFQ-FGZHOGPDSA-N 0 0 434.521 5.165 40 5 IKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OC(C)C ZINC000215014790 569215195 /nfs/dbraw/zinc/21/51/95/569215195.db2.gz DJHVWNURNFYINN-UDWIEESQSA-N 0 0 442.493 5.017 40 5 IKBBRN C[C@H]1[C@H]2C[C@@H](CC1(C)C)N(C(=S)Oc1ccc3nc4[nH]c5ccccc5c4nc3c1)C2 ZINC000010129642 569221623 /nfs/dbraw/zinc/22/16/23/569221623.db2.gz ORUFTGFSKZNLJS-JYJNAYRXSA-N 0 0 430.577 5.685 40 5 IKBBRN COc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1Br ZINC000014605092 569225164 /nfs/dbraw/zinc/22/51/64/569225164.db2.gz VJSVKCISKHFNHY-UHFFFAOYSA-N 0 0 448.298 5.050 40 5 IKBBRN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000033509725 569244300 /nfs/dbraw/zinc/24/43/00/569244300.db2.gz JEXXFXJFRNGAKY-MRXNPFEDSA-N 0 0 441.494 5.471 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000033603071 569244808 /nfs/dbraw/zinc/24/48/08/569244808.db2.gz GVPKEMPQHNBSHA-UHFFFAOYSA-N 0 0 440.333 5.552 40 5 IKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000033649512 569245328 /nfs/dbraw/zinc/24/53/28/569245328.db2.gz SNWRSUBNOXTMFM-YWEYNIOJSA-N 0 0 435.263 5.956 40 5 IKBBRN O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1F)c1sc2cc(Cl)ccc2c1Cl ZINC000033786694 569246819 /nfs/dbraw/zinc/24/68/19/569246819.db2.gz LSRIJDYTJPZGHT-UHFFFAOYSA-N 0 0 444.296 5.382 40 5 IKBBRN Cc1c(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000033860356 569247090 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ZINC000253576036 569284358 /nfs/dbraw/zinc/28/43/58/569284358.db2.gz VIDVLQXJVHJTQA-YKSBVNFPSA-N 0 0 443.975 5.938 40 5 IKBBRN CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008831258 569290929 /nfs/dbraw/zinc/29/09/29/569290929.db2.gz BMUYPRKUFGXQTD-MRXNPFEDSA-N 0 0 440.569 5.225 40 5 IKBBRN O=C(Nc1nc(-c2cccc3ccccc32)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008832052 569291093 /nfs/dbraw/zinc/29/10/93/569291093.db2.gz VJLYPBSAOPACRU-UHFFFAOYSA-N 0 0 441.468 6.384 40 5 IKBBRN COc1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1OC ZINC000008903908 569292232 /nfs/dbraw/zinc/29/22/32/569292232.db2.gz XIKIZSLWTXFNKK-IZZDOVSWSA-N 0 0 445.431 5.072 40 5 IKBBRN O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccccc1[N+](=O)[O-] ZINC000009035974 569292995 /nfs/dbraw/zinc/29/29/95/569292995.db2.gz RKWVPUSWRNZWAB-OUKQBFOZSA-N 0 0 448.276 5.227 40 5 IKBBRN COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)cc1OC ZINC000009010232 569293022 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IKBBRN COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1NC(=O)c1ccccc1Cl ZINC000019630648 569324026 /nfs/dbraw/zinc/32/40/26/569324026.db2.gz NYOHWGWSTUXNLY-UHFFFAOYSA-N 0 0 439.855 5.070 40 5 IKBBRN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000019635882 569324062 /nfs/dbraw/zinc/32/40/62/569324062.db2.gz MVAXFBYMDLNSNL-UHFFFAOYSA-N 0 0 442.475 5.564 40 5 IKBBRN COc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000019630699 569324126 /nfs/dbraw/zinc/32/41/26/569324126.db2.gz JYCXGLQQGPBDIK-UHFFFAOYSA-N 0 0 439.880 5.786 40 5 IKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 ZINC000019630730 569324195 /nfs/dbraw/zinc/32/41/95/569324195.db2.gz LDSRUNPINLZRNO-UHFFFAOYSA-N 0 0 439.899 5.997 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000019639780 569324961 /nfs/dbraw/zinc/32/49/61/569324961.db2.gz FDQOLNQLJNWQNE-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3cccnc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000019894541 569331585 /nfs/dbraw/zinc/33/15/85/569331585.db2.gz MNUPCGHQHKNTMS-UHFFFAOYSA-N 0 0 430.489 5.649 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)o2)c([N+](=O)[O-])c1 ZINC000019894079 569331658 /nfs/dbraw/zinc/33/16/58/569331658.db2.gz VESOVPGBKBCRTD-UKTHLTGXSA-N 0 0 436.467 6.386 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2)cc1 ZINC000020050052 569332676 /nfs/dbraw/zinc/33/26/76/569332676.db2.gz PMEYMIBZNUERMS-UHFFFAOYSA-N 0 0 436.895 6.029 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(-c2ccc(CO)o2)cc1 ZINC000020145348 569335909 /nfs/dbraw/zinc/33/59/09/569335909.db2.gz NFTCZTLQFPIXJN-SDNWHVSQSA-N 0 0 430.416 5.259 40 5 IKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1 ZINC000020142848 569335991 /nfs/dbraw/zinc/33/59/91/569335991.db2.gz DQKKNYLOOFHSHN-UHFFFAOYSA-N 0 0 449.507 5.144 40 5 IKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020145338 569336094 /nfs/dbraw/zinc/33/60/94/569336094.db2.gz SHIIEXFDGHYFJG-JLHYYAGUSA-N 0 0 444.443 5.567 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)cc2)o1 ZINC000020151058 569336244 /nfs/dbraw/zinc/33/62/44/569336244.db2.gz FPAFUYLOHHPUIV-UKTHLTGXSA-N 0 0 444.443 5.567 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2cccc(-c3ccc(CO)o3)c2)o1 ZINC000020151049 569336348 /nfs/dbraw/zinc/33/63/48/569336348.db2.gz IQHAYFBGMRDFJV-XYOKQWHBSA-N 0 0 444.443 5.567 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000020342403 569360891 /nfs/dbraw/zinc/36/08/91/569360891.db2.gz CZYSJOISILZJAN-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000020411810 569363769 /nfs/dbraw/zinc/36/37/69/569363769.db2.gz PNCWVCSYXNXZSX-XBXARRHUSA-N 0 0 445.884 5.075 40 5 IKBBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000020411205 569363849 /nfs/dbraw/zinc/36/38/49/569363849.db2.gz HAZVVLJQUDMHRR-UHFFFAOYSA-N 0 0 445.475 6.177 40 5 IKBBRN COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000021580604 569390766 /nfs/dbraw/zinc/39/07/66/569390766.db2.gz YTCSBSRGXKFQDP-YRNVUSSQSA-N 0 0 448.866 5.452 40 5 IKBBRN Cc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl ZINC000021595261 569391880 /nfs/dbraw/zinc/39/18/80/569391880.db2.gz DYLGBJLJWLXZEH-VQHVLOKHSA-N 0 0 439.880 6.078 40 5 IKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OC(C)C ZINC000225677131 569392740 /nfs/dbraw/zinc/39/27/40/569392740.db2.gz ZTRWHUFMXYEVDS-UHFFFAOYSA-N 0 0 440.496 5.009 40 5 IKBBRN O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000225536494 569403693 /nfs/dbraw/zinc/40/36/93/569403693.db2.gz UMDPZKHSMWQOPY-UHFFFAOYSA-N 0 0 430.504 6.014 40 5 IKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225758141 569408082 /nfs/dbraw/zinc/40/80/82/569408082.db2.gz SJUIYJFZLVJDJV-IBGZPJMESA-N 0 0 446.547 6.766 40 5 IKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771590 569408474 /nfs/dbraw/zinc/40/84/74/569408474.db2.gz VQQMQLYCQZJDBM-GOSISDBHSA-N 0 0 448.519 5.612 40 5 IKBBRN COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)sc2c1 ZINC000002675071 569416552 /nfs/dbraw/zinc/41/65/52/569416552.db2.gz VVMPTOHTFVEXCK-UHFFFAOYSA-N 0 0 445.909 5.847 40 5 IKBBRN O=[N+]([O-])c1ccc(CSc2nnc(C3C4CC5CC(C4)CC3C5)n2-c2ccccc2)cc1 ZINC000002684126 569416719 /nfs/dbraw/zinc/41/67/19/569416719.db2.gz XGGMXFZFRSBGFN-UHFFFAOYSA-N 0 0 446.576 6.008 40 5 IKBBRN Cc1ccc(-c2ccc(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)c(C)c2)cc1 ZINC000002749097 569420171 /nfs/dbraw/zinc/42/01/71/569420171.db2.gz KNLVXCHWBCOCJG-UHFFFAOYSA-N 0 0 426.266 5.860 40 5 IKBBRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br ZINC000057313511 569430586 /nfs/dbraw/zinc/43/05/86/569430586.db2.gz CQISBGDDQATAIA-DHZHZOJOSA-N 0 0 427.254 5.578 40 5 IKBBRN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057315638 569430635 /nfs/dbraw/zinc/43/06/35/569430635.db2.gz MQDSUVRURKBDKW-UHFFFAOYSA-N 0 0 449.875 6.523 40 5 IKBBRN Cc1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3C)nc2c1 ZINC000003030487 569437574 /nfs/dbraw/zinc/43/75/74/569437574.db2.gz GUUYDMRKGIHYQO-UHFFFAOYSA-N 0 0 432.392 5.180 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c2)cc1 ZINC000030859529 569450009 /nfs/dbraw/zinc/45/00/09/569450009.db2.gz QVBHUSNQLPTYEX-UHFFFAOYSA-N 0 0 436.895 6.029 40 5 IKBBRN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCCSc2ccccc2)cc1 ZINC000030872879 569450030 /nfs/dbraw/zinc/45/00/30/569450030.db2.gz WUPVDOPSRGFLQP-UHFFFAOYSA-N 0 0 428.897 5.672 40 5 IKBBRN Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1C ZINC000032116773 569460257 /nfs/dbraw/zinc/46/02/57/569460257.db2.gz YEWDKWBNFXIADU-UHFFFAOYSA-N 0 0 446.488 5.147 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463614 569461471 /nfs/dbraw/zinc/46/14/71/569461471.db2.gz MVJOVWQXDDZMCX-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1 ZINC000059463610 569461488 /nfs/dbraw/zinc/46/14/88/569461488.db2.gz QJMLDQVKHZJJEX-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN O=[N+]([O-])c1ccc2c(CSc3nnc(-c4cccc(Br)c4)o3)c[nH]c2c1 ZINC000059474750 569461516 /nfs/dbraw/zinc/46/15/16/569461516.db2.gz UJFIHEYTLWGDEX-UHFFFAOYSA-N 0 0 431.271 5.181 40 5 IKBBRN O=C1N[C@H](c2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000059488534 569461563 /nfs/dbraw/zinc/46/15/63/569461563.db2.gz ZKKWCFGZYFXVHB-JOCHJYFZSA-N 0 0 428.473 5.148 40 5 IKBBRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059498064 569461640 /nfs/dbraw/zinc/46/16/40/569461640.db2.gz PYLDTURPCQQBKT-XMMPIXPASA-N 0 0 431.492 5.935 40 5 IKBBRN CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059498066 569461642 /nfs/dbraw/zinc/46/16/42/569461642.db2.gz PYLDTURPCQQBKT-DEOSSOPVSA-N 0 0 431.492 5.935 40 5 IKBBRN O=C(Nc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 ZINC000008432263 569464300 /nfs/dbraw/zinc/46/43/00/569464300.db2.gz AYFWMOYCTXGBJA-LNRXMEIDSA-N 0 0 441.487 5.079 40 5 IKBBRN CC[C@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328967583 569584760 /nfs/dbraw/zinc/58/47/60/569584760.db2.gz CVWJUSFFCWAIBN-ZDUSSCGKSA-N 0 0 447.417 5.904 40 5 IKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3n2)cc1 ZINC000019638294 517572749 /nfs/dbraw/zinc/57/27/49/517572749.db2.gz SFQNXANOEIYXOG-UHFFFAOYSA-N 0 0 443.507 5.540 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c2)cc1 ZINC000020489195 519022956 /nfs/dbraw/zinc/02/29/56/519022956.db2.gz ZPOTVRKKCILYOL-UHFFFAOYSA-N 0 0 436.895 6.029 40 5 IKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000020610553 519834160 /nfs/dbraw/zinc/83/41/60/519834160.db2.gz VISASROZSALLLS-UHFFFAOYSA-N 0 0 435.871 5.358 40 5 IKBBRN CCOc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000012485487 521284847 /nfs/dbraw/zinc/28/48/47/521284847.db2.gz DKGRJUNFLHBIKJ-UHFFFAOYSA-N 0 0 442.519 5.725 40 5 IKBBRN CCOC(=O)c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1C ZINC000013675296 521534780 /nfs/dbraw/zinc/53/47/80/521534780.db2.gz SDIXBMZZZLXCMX-CJLVFECKSA-N 0 0 430.460 5.259 40 5 IKBBRN COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014406259 523220898 /nfs/dbraw/zinc/22/08/98/523220898.db2.gz NXWMEYONMXHGFY-UHFFFAOYSA-N 0 0 445.500 5.955 40 5 IKBBRN COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1 ZINC000021005975 523221583 /nfs/dbraw/zinc/22/15/83/523221583.db2.gz WHPFNTGPFREIEV-UHFFFAOYSA-N 0 0 431.473 5.646 40 5 IKBBRN COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000012485500 525508289 /nfs/dbraw/zinc/50/82/89/525508289.db2.gz JZSLCLGZXVOCKZ-UHFFFAOYSA-N 0 0 428.492 5.335 40 5 IKBBRN COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc([N+](=O)[O-])cc4)c3n2)c1 ZINC000020343622 525705013 /nfs/dbraw/zinc/70/50/13/525705013.db2.gz SANQBZKFPLLPAE-UHFFFAOYSA-N 0 0 428.370 5.332 40 5 IKBBRN Cc1ncc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1-c1nc(-c2ccccc2)cs1 ZINC000035682925 527299133 /nfs/dbraw/zinc/29/91/33/527299133.db2.gz SBZMPGKHIFRGON-UHFFFAOYSA-N 0 0 439.884 5.118 40 5 IKBBRN O=[N+]([O-])c1ccc(Oc2ccc(COc3ccc(-c4cnc5ccccc5n4)cc3)cc2)cc1 ZINC000016545604 527374124 /nfs/dbraw/zinc/37/41/24/527374124.db2.gz VWSLAFVBSXPUFD-UHFFFAOYSA-N 0 0 449.466 6.576 40 5 IKBBRN Cc1ccc(N(C)C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C ZINC000034881369 555553245 /nfs/dbraw/zinc/55/32/45/555553245.db2.gz GVEITCOZRTXOKJ-UHFFFAOYSA-N 0 0 443.510 5.773 40 5 IKBBRN Cc1ccccc1-n1c(=O)nc2n(-c3ccc(C(C)(C)C)cc3)c3ccccc3cc-2c1=O ZINC000001857718 555720776 /nfs/dbraw/zinc/72/07/76/555720776.db2.gz DLSUEFWESVISOA-UHFFFAOYSA-N 0 0 435.527 5.247 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 ZINC000408558028 555896898 /nfs/dbraw/zinc/89/68/98/555896898.db2.gz ROTAUBOOLLNOGN-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000408608177 555979067 /nfs/dbraw/zinc/97/90/67/555979067.db2.gz MWWSABVWZGRPBL-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=S(=O)([N-]c1nccs1)c1ccc(NCc2c3ccccc3nc3ccccc32)cc1 ZINC000005485892 556056148 /nfs/dbraw/zinc/05/61/48/556056148.db2.gz KWIXSBYLTITJIX-UHFFFAOYSA-N 0 0 446.557 5.257 40 5 IKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005758795 556064863 /nfs/dbraw/zinc/06/48/63/556064863.db2.gz PGRKJDDEUNIWAZ-OLSNINGUSA-N 0 0 431.661 6.993 40 5 IKBBRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 ZINC000408677732 556071784 /nfs/dbraw/zinc/07/17/84/556071784.db2.gz RCWMHQDLZFRHTD-UHFFFAOYSA-N 0 0 443.459 5.043 40 5 IKBBRN Clc1ccc(-c2cc(-c3ccc(Br)cc3)nc3ccc4ccccc4c32)cc1 ZINC000010372591 556333460 /nfs/dbraw/zinc/33/34/60/556333460.db2.gz FMDBEVZJHPCJED-UHFFFAOYSA-N 0 0 444.759 8.138 40 5 IKBBRN O=C(/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000408906820 556492429 /nfs/dbraw/zinc/49/24/29/556492429.db2.gz IOMNHTGVMYIEOU-VFCFBJKWSA-N 0 0 448.522 6.364 40 5 IKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907827 556493277 /nfs/dbraw/zinc/49/32/77/556493277.db2.gz SWFQQXKESQDEPZ-LGUFXXKBSA-N 0 0 436.467 6.566 40 5 IKBBRN CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] ZINC000013537252 556513303 /nfs/dbraw/zinc/51/33/03/556513303.db2.gz GPJDIHDLTQEECK-LHZMRRPESA-N 0 0 429.733 9.213 40 5 IKBBRN Cc1cccc(CSCCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)c1 ZINC000408924196 556521294 /nfs/dbraw/zinc/52/12/94/556521294.db2.gz DIYCOXJTNLKJCW-JJIBRWJFSA-N 0 0 432.545 5.493 40 5 IKBBRN Cc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1C ZINC000408974317 556615315 /nfs/dbraw/zinc/61/53/15/556615315.db2.gz FBZKBCADMZFAKC-UHFFFAOYSA-N 0 0 429.483 5.749 40 5 IKBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c1C ZINC000408694664 556615698 /nfs/dbraw/zinc/61/56/98/556615698.db2.gz LNLOBGOWQYDJNS-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408722502 556618653 /nfs/dbraw/zinc/61/86/53/556618653.db2.gz JPQBUFNUUPVLBV-UHFFFAOYSA-N 0 0 443.528 6.563 40 5 IKBBRN Cc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408802594 556620426 /nfs/dbraw/zinc/62/04/26/556620426.db2.gz ZFMOAENOFBZBOT-HFSVPUNZSA-N 0 0 436.557 5.957 40 5 IKBBRN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 ZINC000408916295 556623568 /nfs/dbraw/zinc/62/35/68/556623568.db2.gz BGGFPKSPICTJNN-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN CCOc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3[nH]2)cc1 ZINC000016691482 556627358 /nfs/dbraw/zinc/62/73/58/556627358.db2.gz YUVFKKYXZVAABH-ZIADKAODSA-N 0 0 431.495 6.760 40 5 IKBBRN COc1ccc(OC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408977120 556630037 /nfs/dbraw/zinc/63/00/37/556630037.db2.gz UIDHQYKAFXHLPJ-UHFFFAOYSA-N 0 0 432.439 5.107 40 5 IKBBRN COc1cc(/C=C2\Sc3ccccc3NC2=O)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409102538 556630494 /nfs/dbraw/zinc/63/04/94/556630494.db2.gz BBHTWVYSQKCLKE-UUYOSTAYSA-N 0 0 434.473 5.268 40 5 IKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000409182527 556632244 /nfs/dbraw/zinc/63/22/44/556632244.db2.gz MHACKFJDWKGEBD-UHFFFAOYSA-N 0 0 433.851 5.458 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409173168 556632472 /nfs/dbraw/zinc/63/24/72/556632472.db2.gz LNGNEWGOJBOYJL-YBEGLDIGSA-N 0 0 444.230 5.259 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000409180478 556633069 /nfs/dbraw/zinc/63/30/69/556633069.db2.gz UDFXLVOSJZOROB-FQEVSTJZSA-N 0 0 430.243 5.683 40 5 IKBBRN COc1ccc(N(C)C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408978412 556633676 /nfs/dbraw/zinc/63/36/76/556633676.db2.gz ZMXMVENLSOVBFW-UHFFFAOYSA-N 0 0 445.482 5.165 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 ZINC000409197472 556633938 /nfs/dbraw/zinc/63/39/38/556633938.db2.gz GJBYALXDGUFWKM-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000409206448 556634238 /nfs/dbraw/zinc/63/42/38/556634238.db2.gz ONGUEYVJXHPLRB-BZZOAKBMSA-N 0 0 449.919 5.723 40 5 IKBBRN CC(C)CCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398703 556640298 /nfs/dbraw/zinc/64/02/98/556640298.db2.gz XXFUPABGFGZFNP-UHFFFAOYSA-N 0 0 428.319 5.054 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccccc2Cl)cc1/C=C/c1ccccc1Cl ZINC000016926203 556649391 /nfs/dbraw/zinc/64/93/91/556649391.db2.gz ZOBSHOPXQIJEGN-DSOJMZEYSA-N 0 0 441.270 7.151 40 5 IKBBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924490 556696428 /nfs/dbraw/zinc/69/64/28/556696428.db2.gz ZXXFCWKZWDSLFU-OOAPZQTCSA-N 0 0 431.661 6.644 40 5 IKBBRN O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 ZINC000013616820 556702191 /nfs/dbraw/zinc/70/21/91/556702191.db2.gz BWSAUNXOCVAFOI-BKUYFWCQSA-N 0 0 434.835 5.172 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000013628630 556704434 /nfs/dbraw/zinc/70/44/34/556704434.db2.gz HHDRMHKUZHRCQQ-CXUHLZMHSA-N 0 0 443.503 5.797 40 5 IKBBRN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 ZINC000013633646 556704677 /nfs/dbraw/zinc/70/46/77/556704677.db2.gz JOMBEUPIWXANCZ-UHFFFAOYSA-N 0 0 438.464 6.063 40 5 IKBBRN CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c(C)c1 ZINC000013676503 556709897 /nfs/dbraw/zinc/70/98/97/556709897.db2.gz KMSGRWVJDQBNFM-CJLVFECKSA-N 0 0 430.460 5.259 40 5 IKBBRN COc1cc2nc3ccc(NC(=S)N(C)c4ccc(C)c(C)c4)cc3nc2cc1OC ZINC000409003027 556712587 /nfs/dbraw/zinc/71/25/87/556712587.db2.gz YEKPHRIBBGKJQF-UHFFFAOYSA-N 0 0 432.549 5.250 40 5 IKBBRN Cc1ccc(N(Cc2ccccc2)C(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000000853577 556722382 /nfs/dbraw/zinc/72/23/82/556722382.db2.gz PDWOJWMJBSJQTL-UHFFFAOYSA-N 0 0 425.282 5.513 40 5 IKBBRN Cc1ccc(NC(=O)Oc2ccc(Br)cc2Br)c([N+](=O)[O-])c1 ZINC000005208435 556729547 /nfs/dbraw/zinc/72/95/47/556729547.db2.gz WMCDTWQWRSQVBX-UHFFFAOYSA-N 0 0 430.052 5.039 40 5 IKBBRN CC(C)N1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000409051748 556757009 /nfs/dbraw/zinc/75/70/09/556757009.db2.gz BNNIDMKAUMFGOH-ZDLGFXPLSA-N 0 0 432.885 5.272 40 5 IKBBRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc1CC2 ZINC000409053292 556757690 /nfs/dbraw/zinc/75/76/90/556757690.db2.gz BTSFSBMOYMLVJY-UHFFFAOYSA-N 0 0 429.885 5.040 40 5 IKBBRN C[C@H]1Cc2ccccc2N1C(=O)CSc1ncnc2c3cc4ccccc4nc3sc21 ZINC000001327839 556773457 /nfs/dbraw/zinc/77/34/57/556773457.db2.gz FTRJTLAQDIUYKH-AWEZNQCLSA-N 0 0 442.569 5.463 40 5 IKBBRN Cc1cc(NC(=O)CSc2ncnc3c4cc5cc(C)cc(C)c5nc4sc32)no1 ZINC000001327859 556773475 /nfs/dbraw/zinc/77/34/75/556773475.db2.gz XOPIGUYMXCJMQO-UHFFFAOYSA-N 0 0 435.534 5.037 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409102849 556796155 /nfs/dbraw/zinc/79/61/55/556796155.db2.gz WGBDOOGQUIMUSM-LICLKQGHSA-N 0 0 444.230 5.259 40 5 IKBBRN CCc1ccccc1NCc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000409113626 556803626 /nfs/dbraw/zinc/80/36/26/556803626.db2.gz DXFIFWYLBUOSBU-UHFFFAOYSA-N 0 0 426.900 6.010 40 5 IKBBRN CCOc1ccc(NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409113978 556804163 /nfs/dbraw/zinc/80/41/63/556804163.db2.gz PANXDWCMZCQNBV-UHFFFAOYSA-N 0 0 432.398 6.417 40 5 IKBBRN COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116067 556807325 /nfs/dbraw/zinc/80/73/25/556807325.db2.gz KMIFDLGCWKKMEC-UHFFFAOYSA-N 0 0 447.318 6.410 40 5 IKBBRN Cc1cc2c(cc1C)N1[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]1C(c1ccc(OC(F)F)cc1)=N2 ZINC000016740802 556808472 /nfs/dbraw/zinc/80/84/72/556808472.db2.gz PKCRTIILKUFSJZ-SYDXZMBCSA-N 0 0 435.430 5.877 40 5 IKBBRN Cc1cc2c(cc1C)N1[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]1C(c1ccc(OC(F)F)cc1)=N2 ZINC000016740800 556808579 /nfs/dbraw/zinc/80/85/79/556808579.db2.gz PKCRTIILKUFSJZ-TXUOUNKJSA-N 0 0 435.430 5.877 40 5 IKBBRN Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409117207 556809475 /nfs/dbraw/zinc/80/94/75/556809475.db2.gz LBHWBYWYTNUOCS-UHFFFAOYSA-N 0 0 431.319 6.710 40 5 IKBBRN COc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409118209 556811760 /nfs/dbraw/zinc/81/17/60/556811760.db2.gz SVTFFOYOUMGIES-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1CC1CCCCC1 ZINC000409126710 556833487 /nfs/dbraw/zinc/83/34/87/556833487.db2.gz FOYJZIGWOZUQCS-YBFXNURJSA-N 0 0 446.912 6.125 40 5 IKBBRN Cc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408802596 556859290 /nfs/dbraw/zinc/85/92/90/556859290.db2.gz ZFMOAENOFBZBOT-ZIRSXLEASA-N 0 0 436.557 5.957 40 5 IKBBRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000408813526 556860998 /nfs/dbraw/zinc/86/09/98/556860998.db2.gz NKTJKUSHOYBUHQ-UHFFFAOYSA-N 0 0 440.888 5.580 40 5 IKBBRN COc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000408809038 556861956 /nfs/dbraw/zinc/86/19/56/556861956.db2.gz HCBUPAXUYZJBPR-UHFFFAOYSA-N 0 0 445.951 6.418 40 5 IKBBRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000408818580 556864445 /nfs/dbraw/zinc/86/44/45/556864445.db2.gz XHMCZHZUWZIUIF-UHFFFAOYSA-N 0 0 429.952 6.718 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409137639 556866088 /nfs/dbraw/zinc/86/60/88/556866088.db2.gz XMHXVAKDQMWMCY-UDWIEESQSA-N 0 0 426.494 5.780 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408827894 556866530 /nfs/dbraw/zinc/86/65/30/556866530.db2.gz KYPGCAXWWFCXGE-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccc([N+](=O)[O-])c1 ZINC000408836189 556867009 /nfs/dbraw/zinc/86/70/09/556867009.db2.gz ZSDMPFQYQWOJKQ-UHFFFAOYSA-N 0 0 446.444 5.546 40 5 IKBBRN Cc1ccc(CSCCNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000408923407 556892397 /nfs/dbraw/zinc/89/23/97/556892397.db2.gz XIRFHMUZULDPPJ-JJIBRWJFSA-N 0 0 432.545 5.493 40 5 IKBBRN S=C(NCc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974315 556905182 /nfs/dbraw/zinc/90/51/82/556905182.db2.gz FAEUSUFULJWAOM-UHFFFAOYSA-N 0 0 446.539 5.366 40 5 IKBBRN S=C(Nc1cccnc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408975232 556905657 /nfs/dbraw/zinc/90/56/57/556905657.db2.gz KVZXWFIVUJDEDU-UHFFFAOYSA-N 0 0 433.500 5.083 40 5 IKBBRN CCOc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408978057 556907097 /nfs/dbraw/zinc/90/70/97/556907097.db2.gz XYPXULSJEZHBHJ-UHFFFAOYSA-N 0 0 445.482 5.530 40 5 IKBBRN S=C(Nc1ccc2ccccc2c1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 ZINC000408997998 556913316 /nfs/dbraw/zinc/91/33/16/556913316.db2.gz PRNDNOOBMCOJRJ-UHFFFAOYSA-N 0 0 438.512 5.516 40 5 IKBBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1Cl ZINC000409015277 556920658 /nfs/dbraw/zinc/92/06/58/556920658.db2.gz ZGAUCPRLZDWZAY-LPXFMOJISA-N 0 0 446.912 5.662 40 5 IKBBRN O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409050946 556932887 /nfs/dbraw/zinc/93/28/87/556932887.db2.gz FCJKMJVUADVLTN-UHFFFAOYSA-N 0 0 441.921 6.353 40 5 IKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000409057014 556934372 /nfs/dbraw/zinc/93/43/72/556934372.db2.gz OJOBLSAHPOJUNC-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)c1 ZINC000409101850 556956030 /nfs/dbraw/zinc/95/60/30/556956030.db2.gz WVQONLYHSTXPSG-UHFFFAOYSA-N 0 0 440.887 5.927 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409117847 556960345 /nfs/dbraw/zinc/96/03/45/556960345.db2.gz OTNQKSNHMDRQSE-UHFFFAOYSA-N 0 0 426.472 6.578 40 5 IKBBRN Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118063 556960353 /nfs/dbraw/zinc/96/03/53/556960353.db2.gz PWONDNVXFAMKNJ-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN Cc1cccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C ZINC000409120632 556961327 /nfs/dbraw/zinc/96/13/27/556961327.db2.gz RIRAKWNVZDIMQL-UHFFFAOYSA-N 0 0 431.319 6.710 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000409171517 556984378 /nfs/dbraw/zinc/98/43/78/556984378.db2.gz CURNODCVXZFDMX-LICLKQGHSA-N 0 0 444.230 5.259 40 5 IKBBRN CCC(=O)Nc1cc(C(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)ccc1C ZINC000409176384 556985932 /nfs/dbraw/zinc/98/59/32/556985932.db2.gz MBXQFOZOHCIQFN-UHFFFAOYSA-N 0 0 434.448 5.401 40 5 IKBBRN COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000409176801 556986194 /nfs/dbraw/zinc/98/61/94/556986194.db2.gz YDASVHWAGGFWDL-OAQYLSRUSA-N 0 0 425.824 5.038 40 5 IKBBRN O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409176887 556986244 /nfs/dbraw/zinc/98/62/44/556986244.db2.gz AAQJNCFDNREIFL-UHFFFAOYSA-N 0 0 434.300 6.410 40 5 IKBBRN Cc1ccccc1NC(=O)CCC(=O)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409181242 556989419 /nfs/dbraw/zinc/98/94/19/556989419.db2.gz ADBQHDBEMNCQCW-UHFFFAOYSA-N 0 0 434.448 5.158 40 5 IKBBRN O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000409191505 556992011 /nfs/dbraw/zinc/99/20/11/556992011.db2.gz XTLUOMGKNPLMQM-LDADJPATSA-N 0 0 425.853 5.280 40 5 IKBBRN Cc1cccc(NC(=O)CCC(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000409175709 556992494 /nfs/dbraw/zinc/99/24/94/556992494.db2.gz APSZRRVKVOKBRD-UHFFFAOYSA-N 0 0 434.448 5.158 40 5 IKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409176508 556995081 /nfs/dbraw/zinc/99/50/81/556995081.db2.gz POXLKKNOWAWXMV-HHHXNRCGSA-N 0 0 449.510 6.269 40 5 IKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000409177891 556996569 /nfs/dbraw/zinc/99/65/69/556996569.db2.gz CSTRNUCSDGPSFP-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN CCOc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000409178517 556996759 /nfs/dbraw/zinc/99/67/59/556996759.db2.gz KPBRFMZTLHXXMT-UHFFFAOYSA-N 0 0 428.444 5.566 40 5 IKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409179321 556997013 /nfs/dbraw/zinc/99/70/13/556997013.db2.gz ORFMHPNHEHVPRW-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1-c1ccccc1 ZINC000409179210 556998128 /nfs/dbraw/zinc/99/81/28/556998128.db2.gz KXBMFQYTOJSWKN-UHFFFAOYSA-N 0 0 425.440 6.411 40 5 IKBBRN O=C(COc1ccc(Cl)cc1Cl)OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000409179491 556999038 /nfs/dbraw/zinc/99/90/38/556999038.db2.gz PAWCYEYODGRPGD-UHFFFAOYSA-N 0 0 448.258 5.816 40 5 IKBBRN O=C(COC(=O)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])c1cccs1 ZINC000409180729 556999489 /nfs/dbraw/zinc/99/94/89/556999489.db2.gz ZKUQBVVLMALYRE-UHFFFAOYSA-N 0 0 433.894 5.501 40 5 IKBBRN O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1cccc(Cl)c1 ZINC000409200616 556999906 /nfs/dbraw/zinc/99/99/06/556999906.db2.gz IXUUCDBEZOUMQY-LDADJPATSA-N 0 0 425.853 5.280 40 5 IKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409213111 557007583 /nfs/dbraw/zinc/00/75/83/557007583.db2.gz SIULSGPFVOPJGK-HMAPJEAMSA-N 0 0 448.500 5.751 40 5 IKBBRN Cc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409224472 557013435 /nfs/dbraw/zinc/01/34/35/557013435.db2.gz LQQBDVOPVWBMTR-CIAFOILYSA-N 0 0 448.456 5.082 40 5 IKBBRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408527096 557030296 /nfs/dbraw/zinc/03/02/96/557030296.db2.gz AOXUUQOYZWLDHU-UHFFFAOYSA-N 0 0 431.835 5.591 40 5 IKBBRN O=C1c2cccc3c2c(cc([N+](=O)[O-])c3N2CCCC2)C(=O)N1c1ccc2ccccc2c1 ZINC000408534841 557032594 /nfs/dbraw/zinc/03/25/94/557032594.db2.gz RLOJHINWAHUCMY-UHFFFAOYSA-N 0 0 437.455 5.302 40 5 IKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408540965 557033354 /nfs/dbraw/zinc/03/33/54/557033354.db2.gz ACLIEJWXVGDLPF-TWGQIWQCSA-N 0 0 449.290 6.346 40 5 IKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000408542118 557033719 /nfs/dbraw/zinc/03/37/19/557033719.db2.gz HEUZIZWNIHWXQZ-OWBHPGMISA-N 0 0 430.460 6.193 40 5 IKBBRN Cc1noc(/C=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000408542435 557033904 /nfs/dbraw/zinc/03/39/04/557033904.db2.gz JMQBELRLGDUHML-CLFYSBASSA-N 0 0 428.275 6.371 40 5 IKBBRN Cc1noc(/C=C/c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000408543235 557034241 /nfs/dbraw/zinc/03/42/41/557034241.db2.gz NZUAWNZHNKQPGD-MDZDMXLPSA-N 0 0 428.275 6.371 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408555068 557037042 /nfs/dbraw/zinc/03/70/42/557037042.db2.gz FROCYHQZGNRLIT-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN Cc1ccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2)cc1Cl ZINC000408558445 557038293 /nfs/dbraw/zinc/03/82/93/557038293.db2.gz REXBRSZPPWZUOA-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000408563665 557038755 /nfs/dbraw/zinc/03/87/55/557038755.db2.gz WHFHNGUAENDFQA-QOCHGBHMSA-N 0 0 436.320 5.501 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 ZINC000408559336 557038765 /nfs/dbraw/zinc/03/87/65/557038765.db2.gz VGPREUCASNMLDO-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN O=C1CS[C@H](c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1c1ccc(Cl)cc1 ZINC000408559233 557038778 /nfs/dbraw/zinc/03/87/78/557038778.db2.gz YNQWWWHETTYFKC-JOCHJYFZSA-N 0 0 440.908 5.606 40 5 IKBBRN O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000408564486 557039314 /nfs/dbraw/zinc/03/93/14/557039314.db2.gz YTNMHAGKJYMZOR-UHFFFAOYSA-N 0 0 427.791 5.643 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408560548 557039356 /nfs/dbraw/zinc/03/93/56/557039356.db2.gz DEWVWMMGFZCHCX-FLFQWRMESA-N 0 0 447.919 5.631 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408561972 557039993 /nfs/dbraw/zinc/03/99/93/557039993.db2.gz MGHNFZSLPUVCJB-FLFQWRMESA-N 0 0 447.919 5.631 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccccc2[N+](=O)[O-])n(CC)c1-c1ccc(Cl)cc1 ZINC000408563183 557040522 /nfs/dbraw/zinc/04/05/22/557040522.db2.gz URKKMTUKKYPHHH-LNVKXUELSA-N 0 0 429.929 5.492 40 5 IKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408569064 557041670 /nfs/dbraw/zinc/04/16/70/557041670.db2.gz INYROHGRBDUIMY-SFHVURJKSA-N 0 0 437.352 5.609 40 5 IKBBRN O=[N+]([O-])C[C@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408569084 557042026 /nfs/dbraw/zinc/04/20/26/557042026.db2.gz ISWGGSUGLTVJFM-FQEVSTJZSA-N 0 0 441.314 6.462 40 5 IKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1cccc(F)c1 ZINC000408570573 557042037 /nfs/dbraw/zinc/04/20/37/557042037.db2.gz LKWPUGFFDYKCPH-QFIPXVFZSA-N 0 0 434.467 5.693 40 5 IKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408571343 557042338 /nfs/dbraw/zinc/04/23/38/557042338.db2.gz OKNDOUPFJFKDMU-HXUWFJFHSA-N 0 0 441.314 6.462 40 5 IKBBRN O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408574595 557043094 /nfs/dbraw/zinc/04/30/94/557043094.db2.gz IMIAVKSEBBVJRC-UHFFFAOYSA-N 0 0 440.908 5.351 40 5 IKBBRN COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000409319798 557059093 /nfs/dbraw/zinc/05/90/93/557059093.db2.gz LZMRVRUOTVZGIW-CPNJWEJPSA-N 0 0 436.851 5.214 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000408599963 557064099 /nfs/dbraw/zinc/06/40/99/557064099.db2.gz PSBQUFTVVNATSD-GRSHGNNSSA-N 0 0 442.399 5.370 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000408611548 557066814 /nfs/dbraw/zinc/06/68/14/557066814.db2.gz SYNWAEQYXOZUCB-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc21 ZINC000408611550 557066826 /nfs/dbraw/zinc/06/68/26/557066826.db2.gz SYROCRIHLKELQF-UHFFFAOYSA-N 0 0 428.488 6.338 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCc1ccccc1 ZINC000408612145 557067168 /nfs/dbraw/zinc/06/71/68/557067168.db2.gz UNGULNHEYPUCQF-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408604688 557069181 /nfs/dbraw/zinc/06/91/81/557069181.db2.gz DUDQGYLCNFMCPM-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 ZINC000408606583 557069724 /nfs/dbraw/zinc/06/97/24/557069724.db2.gz ITGDDEMNJGHYSO-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN Cc1c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)cccc1[N+](=O)[O-] ZINC000408617013 557074576 /nfs/dbraw/zinc/07/45/76/557074576.db2.gz BAXVZKNJCCBBTF-UHFFFAOYSA-N 0 0 433.851 5.298 40 5 IKBBRN Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)cc1 ZINC000408617044 557074999 /nfs/dbraw/zinc/07/49/99/557074999.db2.gz BHAIQFLXGXONOM-UHFFFAOYSA-N 0 0 433.847 6.840 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1Br ZINC000408620204 557075577 /nfs/dbraw/zinc/07/55/77/557075577.db2.gz KZUZAYSMCCFUOJ-UHFFFAOYSA-N 0 0 435.661 5.831 40 5 IKBBRN CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000408619544 557075694 /nfs/dbraw/zinc/07/56/94/557075694.db2.gz IXINDHCMOMQRBW-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN O=c1[nH]c(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)nc2ccccc12 ZINC000409256115 557081515 /nfs/dbraw/zinc/08/15/15/557081515.db2.gz JTPIYMZCZJKYEU-UHFFFAOYSA-N 0 0 427.338 5.722 40 5 IKBBRN O=C(c1cccc([N+](=O)[O-])c1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000408683694 557100510 /nfs/dbraw/zinc/10/05/10/557100510.db2.gz NIBXEALGXSQZPW-HHHXNRCGSA-N 0 0 447.494 6.507 40 5 IKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)cc1C ZINC000408693684 557104374 /nfs/dbraw/zinc/10/43/74/557104374.db2.gz BVCUZBOMBGFIMA-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722738 557136380 /nfs/dbraw/zinc/13/63/80/557136380.db2.gz MULWHCIHWZZVNW-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2s1 ZINC000021595481 557154983 /nfs/dbraw/zinc/15/49/83/557154983.db2.gz IVOMEBYHKVYIQD-UHFFFAOYSA-N 0 0 436.449 5.065 40 5 IKBBRN c1ccc2c(c1)cc1ccc3c4c5c(ccc6c5[C@H](C=C4)c4ccccc4C6)c4ccc2c1c43 ZINC000095869649 557161046 /nfs/dbraw/zinc/16/10/46/557161046.db2.gz VUGCJEKOSQLHPQ-AREMUKBSSA-N 0 0 428.534 8.953 40 5 IKBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)c2cccc(Cl)c2)c1)c1cccc(Cl)c1 ZINC000013983657 557199809 /nfs/dbraw/zinc/19/98/09/557199809.db2.gz PRBZLDAUTVZQSN-UHFFFAOYSA-N 0 0 430.247 5.406 40 5 IKBBRN CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 ZINC000408786643 557209067 /nfs/dbraw/zinc/20/90/67/557209067.db2.gz UJKVTJQYCVUAJM-RQLGBQGVSA-N 0 0 435.505 5.325 40 5 IKBBRN Cc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408802595 557213419 /nfs/dbraw/zinc/21/34/19/557213419.db2.gz ZFMOAENOFBZBOT-MAKSOAMOSA-N 0 0 436.557 5.957 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408826887 557243177 /nfs/dbraw/zinc/24/31/77/557243177.db2.gz LDQFGEFMPMOPQG-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408827920 557245586 /nfs/dbraw/zinc/24/55/86/557245586.db2.gz LBBJHGRZFFVXDX-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)s2)cc1 ZINC000408834836 557250156 /nfs/dbraw/zinc/25/01/56/557250156.db2.gz VVRPBFLNITZFPE-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408834982 557252109 /nfs/dbraw/zinc/25/21/09/557252109.db2.gz WJYYEHMQNDCAJJ-UHFFFAOYSA-N 0 0 430.489 5.649 40 5 IKBBRN CC(C)(C)c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc(C(C)(C)C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100099212 557257134 /nfs/dbraw/zinc/25/71/34/557257134.db2.gz ZPHWPHDCVHLDOH-UHFFFAOYSA-N 0 0 446.416 5.581 40 5 IKBBRN COc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1[N+](=O)[O-] ZINC000219823070 557268877 /nfs/dbraw/zinc/26/88/77/557268877.db2.gz QSMKPWWOVMHFLC-UHFFFAOYSA-N 0 0 428.828 5.067 40 5 IKBBRN CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000013509772 557331691 /nfs/dbraw/zinc/33/16/91/557331691.db2.gz BMLAUJASZQEACE-UHFFFAOYSA-N 0 0 443.507 5.291 40 5 IKBBRN C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229380 557343283 /nfs/dbraw/zinc/34/32/83/557343283.db2.gz GVPKGKSGUROQEF-NSHDSACASA-N 0 0 442.730 6.186 40 5 IKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229379 557343510 /nfs/dbraw/zinc/34/35/10/557343510.db2.gz GVPKGKSGUROQEF-LLVKDONJSA-N 0 0 442.730 6.186 40 5 IKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000072229378 557343552 /nfs/dbraw/zinc/34/35/52/557343552.db2.gz LYPGKMOFHIWSJG-UHFFFAOYSA-N 0 0 428.703 5.798 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cc(NC3CCCCC3)c([N+](=O)[O-])cc2Cl)cc1 ZINC000072229128 557343557 /nfs/dbraw/zinc/34/35/57/557343557.db2.gz MLIUZQJWGBLVBC-UHFFFAOYSA-N 0 0 429.948 6.543 40 5 IKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1Cl ZINC000072229386 557343572 /nfs/dbraw/zinc/34/35/72/557343572.db2.gz JVWSAQRSRQXDLR-UHFFFAOYSA-N 0 0 428.703 5.798 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000072229929 557343580 /nfs/dbraw/zinc/34/35/80/557343580.db2.gz DMGSPXVGFNJCID-QHCPKHFHSA-N 0 0 448.862 5.842 40 5 IKBBRN CCCSc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000225829151 557353158 /nfs/dbraw/zinc/35/31/58/557353158.db2.gz RAXOCVDFOPUQFS-GHRIWEEISA-N 0 0 426.523 5.128 40 5 IKBBRN CCC[C@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@H](CC)c1ccccc1 ZINC000004900990 557402442 /nfs/dbraw/zinc/40/24/42/557402442.db2.gz OICXZJZJTBTPPS-GJZUVCINSA-N 0 0 432.520 7.033 40 5 IKBBRN CCC[C@](OC(=O)Nc1ccccc1[N+](=O)[O-])(c1ccccc1)[C@@H](CC)c1ccccc1 ZINC000004900988 557402466 /nfs/dbraw/zinc/40/24/66/557402466.db2.gz OICXZJZJTBTPPS-NVQXNPDNSA-N 0 0 432.520 7.033 40 5 IKBBRN COc1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1[N+](=O)[O-] ZINC000408532414 557415611 /nfs/dbraw/zinc/41/56/11/557415611.db2.gz XYMVCFUCQIOLAF-UHFFFAOYSA-N 0 0 443.415 5.072 40 5 IKBBRN COc1cccc(/C=C\c2onc(C)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl ZINC000408542141 557415838 /nfs/dbraw/zinc/41/58/38/557415838.db2.gz HLGBVEHYOPPFEK-CLFYSBASSA-N 0 0 435.263 5.956 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccccc1 ZINC000408553649 557416554 /nfs/dbraw/zinc/41/65/54/557416554.db2.gz BESXLOJXWKOZLT-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F ZINC000408557046 557416734 /nfs/dbraw/zinc/41/67/34/557416734.db2.gz LWKKKBHAYOWCGG-UHFFFAOYSA-N 0 0 430.863 5.977 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Br)cc1 ZINC000408555713 557416783 /nfs/dbraw/zinc/41/67/83/557416783.db2.gz IBBMBYISCLEWCR-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccccc1 ZINC000408560886 557416976 /nfs/dbraw/zinc/41/69/76/557416976.db2.gz FKXMNUUQTPWEEA-LNVKXUELSA-N 0 0 429.929 5.492 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(F)cc1 ZINC000408561936 557418628 /nfs/dbraw/zinc/41/86/28/557418628.db2.gz LUXHAUVJFBWRQD-FLFQWRMESA-N 0 0 447.919 5.631 40 5 IKBBRN COc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000408623341 557422518 /nfs/dbraw/zinc/42/25/18/557422518.db2.gz SOCMMLCUZOHCDE-UHFFFAOYSA-N 0 0 449.846 6.540 40 5 IKBBRN Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)oc2c1 ZINC000014272195 557431481 /nfs/dbraw/zinc/43/14/81/557431481.db2.gz KTCMCUWWOGEFSX-UHFFFAOYSA-N 0 0 442.258 6.271 40 5 IKBBRN Cc1c(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cccc1[N+](=O)[O-] ZINC000014272146 557431507 /nfs/dbraw/zinc/43/15/07/557431507.db2.gz HWUYFZCJDHCLFP-UHFFFAOYSA-N 0 0 442.258 6.271 40 5 IKBBRN COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000014272312 557431656 /nfs/dbraw/zinc/43/16/56/557431656.db2.gz KXHRNZQWMRCUPB-UHFFFAOYSA-N 0 0 445.475 6.096 40 5 IKBBRN O=C1S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 ZINC000106680264 557531193 /nfs/dbraw/zinc/53/11/93/557531193.db2.gz BEMHYRKTFJNABX-HMAPJEAMSA-N 0 0 446.484 5.410 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccccc1Cl ZINC000106685063 557531354 /nfs/dbraw/zinc/53/13/54/557531354.db2.gz BZXBUSBNERODOT-UUASQNMZSA-N 0 0 443.695 5.792 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106700023 557531417 /nfs/dbraw/zinc/53/14/17/557531417.db2.gz UWVGMCAXEIQMKU-UUASQNMZSA-N 0 0 443.695 5.792 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 ZINC000106715812 557531697 /nfs/dbraw/zinc/53/16/97/557531697.db2.gz XBXHDDYHQOITBW-CHHVJCJISA-N 0 0 443.695 5.792 40 5 IKBBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000106728968 557531880 /nfs/dbraw/zinc/53/18/80/557531880.db2.gz GFFLYGYWUKVXQP-MOSHPQCFSA-N 0 0 442.493 5.019 40 5 IKBBRN O=C(Nc1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000850299 557830213 /nfs/dbraw/zinc/83/02/13/557830213.db2.gz HXWFIYZUMACVEN-UHFFFAOYSA-N 0 0 427.416 5.359 40 5 IKBBRN Cc1ccc(C)c2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 ZINC000000877634 557841226 /nfs/dbraw/zinc/84/12/26/557841226.db2.gz APJRSGCZJHKTTG-UHFFFAOYSA-N 0 0 444.516 5.553 40 5 IKBBRN CCCCSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000015024594 568628033 /nfs/dbraw/zinc/62/80/33/568628033.db2.gz AGGQGKVHIMXSBJ-UHFFFAOYSA-N 0 0 443.403 5.666 40 5 IKBBRN COCc1cc(C)nc2sc3c(c21)N=C(c1ccc([N+](=O)[O-])cc1)O[C@H]3c1ccccc1 ZINC000015023501 568628311 /nfs/dbraw/zinc/62/83/11/568628311.db2.gz PRZQQMPEWQODIO-NRFANRHFSA-N 0 0 445.500 5.857 40 5 IKBBRN Cc1nn(Cc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)c(C)c1[N+](=O)[O-] ZINC000001049782 568654040 /nfs/dbraw/zinc/65/40/40/568654040.db2.gz OJEFVBRXYHEHFI-UHFFFAOYSA-N 0 0 438.572 5.564 40 5 IKBBRN C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222906836 568737134 /nfs/dbraw/zinc/73/71/34/568737134.db2.gz DAQSZUGGZLMDKP-VKELSTCCSA-N 0 0 426.516 5.892 40 5 IKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000223077372 568778807 /nfs/dbraw/zinc/77/88/07/568778807.db2.gz QVFNSPUQVAJUAS-UHFFFAOYSA-N 0 0 435.867 5.094 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223114779 568779679 /nfs/dbraw/zinc/77/96/79/568779679.db2.gz XAQHRQLPNRXXLR-GOTSBHOMSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223110715 568779690 /nfs/dbraw/zinc/77/96/90/568779690.db2.gz LOMZHUWXFJCMNE-DHIUTWEWSA-N 0 0 447.564 5.086 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 ZINC000223123244 568779850 /nfs/dbraw/zinc/77/98/50/568779850.db2.gz UXYBJPIJPMNALY-XZOQPEGZSA-N 0 0 448.548 5.555 40 5 IKBBRN CC(=O)c1cccc(OC(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000032121408 568781499 /nfs/dbraw/zinc/78/14/99/568781499.db2.gz XXDVCKMHSPIDPR-UHFFFAOYSA-N 0 0 427.865 5.821 40 5 IKBBRN Cc1ccc(C)c(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 ZINC000002751288 568789163 /nfs/dbraw/zinc/78/91/63/568789163.db2.gz BHJSFFXUSPIYGI-UHFFFAOYSA-N 0 0 433.463 6.874 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223361840 568819646 /nfs/dbraw/zinc/81/96/46/568819646.db2.gz WXYMBGYDLHJHOZ-FGZHOGPDSA-N 0 0 446.488 5.016 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223361999 568819676 /nfs/dbraw/zinc/81/96/76/568819676.db2.gz WXYMBGYDLHJHOZ-VXKWHMMOSA-N 0 0 446.488 5.016 40 5 IKBBRN Cc1c(Cl)cccc1-c1ccc(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)o1 ZINC000016250053 568874858 /nfs/dbraw/zinc/87/48/58/568874858.db2.gz MIRKYOIZLXNBII-UHFFFAOYSA-N 0 0 433.848 5.083 40 5 IKBBRN CC(C)(C)c1ccccc1OCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223668587 568876156 /nfs/dbraw/zinc/87/61/56/568876156.db2.gz DLPDRKRGYCZTNS-FCDQGJHFSA-N 0 0 444.531 5.628 40 5 IKBBRN CC(C)c1ccccc1OCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223747501 568877088 /nfs/dbraw/zinc/87/70/88/568877088.db2.gz AROGACIZWDHEEE-HKOYGPOVSA-N 0 0 430.504 5.454 40 5 IKBBRN O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000016401126 568887701 /nfs/dbraw/zinc/88/77/01/568887701.db2.gz KTFUPAZOYOLGIN-UHFFFAOYSA-N 0 0 446.242 5.734 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1Cl ZINC000224139584 568906519 /nfs/dbraw/zinc/90/65/19/568906519.db2.gz PHQQJQIVUFXJME-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN Cc1cccc(C)c1NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000006443469 568906861 /nfs/dbraw/zinc/90/68/61/568906861.db2.gz HQSANFLKUTYMFY-UHFFFAOYSA-N 0 0 445.548 5.697 40 5 IKBBRN O=C(OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC000016477733 568909412 /nfs/dbraw/zinc/90/94/12/568909412.db2.gz YVRMZRCZNDFMES-UHFFFAOYSA-N 0 0 444.409 5.401 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224186967 568915499 /nfs/dbraw/zinc/91/54/99/568915499.db2.gz MLXUAOMCGOVXIQ-UHFFFAOYSA-N 0 0 448.519 6.041 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224181091 568915508 /nfs/dbraw/zinc/91/55/08/568915508.db2.gz SHIPMSQTVFILIN-DHIUTWEWSA-N 0 0 442.500 5.427 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224210978 568916278 /nfs/dbraw/zinc/91/62/78/568916278.db2.gz VFPMRVHAQKGHMR-UHFFFAOYSA-N 0 0 440.883 5.705 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)C ZINC000224235556 568916569 /nfs/dbraw/zinc/91/65/69/568916569.db2.gz ZGFYGDTXVNJTHL-UHFFFAOYSA-N 0 0 434.492 5.867 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc2ccccc2c1 ZINC000224318892 568917765 /nfs/dbraw/zinc/91/77/65/568917765.db2.gz SRIHBERIBIQYPU-UHFFFAOYSA-N 0 0 442.471 5.896 40 5 IKBBRN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000001946337 568923665 /nfs/dbraw/zinc/92/36/65/568923665.db2.gz PKZAADMPWWSSNN-AWEZNQCLSA-N 0 0 430.526 5.236 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(Cl)cc1 ZINC000224391404 568923986 /nfs/dbraw/zinc/92/39/86/568923986.db2.gz AXBUHRDDQLGMHF-UHFFFAOYSA-N 0 0 442.924 6.110 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000016610796 568925586 /nfs/dbraw/zinc/92/55/86/568925586.db2.gz UNBDHOHWJQLVBC-HNNXBMFYSA-N 0 0 429.476 6.477 40 5 IKBBRN CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000016607925 568925590 /nfs/dbraw/zinc/92/55/90/568925590.db2.gz DSVRESOZAXSXSK-QHCPKHFHSA-N 0 0 429.505 5.536 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610678 568925599 /nfs/dbraw/zinc/92/55/99/568925599.db2.gz RXYBXAXEFDDQNB-RTGRKSDTSA-N 0 0 441.487 6.568 40 5 IKBBRN CC(C)c1cccc(C(C)C)c1NC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002003633 568926969 /nfs/dbraw/zinc/92/69/69/568926969.db2.gz XFFITGBWVLQNCD-UHFFFAOYSA-N 0 0 449.576 7.637 40 5 in-vivo IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1Cl ZINC000224483212 568928144 /nfs/dbraw/zinc/92/81/44/568928144.db2.gz WDWKSRKAKLYZCJ-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1cc(C)cc(C)c1 ZINC000224537807 568937635 /nfs/dbraw/zinc/93/76/35/568937635.db2.gz UTWVDDVDBMCROL-UHFFFAOYSA-N 0 0 434.492 5.750 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)C ZINC000224570994 568940423 /nfs/dbraw/zinc/94/04/23/568940423.db2.gz LUROZYVVPZFPJC-UHFFFAOYSA-N 0 0 448.519 6.257 40 5 IKBBRN O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)CC[C@@H]2c1ccccc1 ZINC000169683770 568997513 /nfs/dbraw/zinc/99/75/13/568997513.db2.gz PZRRIJLHRFAQDB-LWSSLDFYSA-N 0 0 426.472 5.062 40 5 IKBBRN CCc1cccc2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nc(-c3ccccc3)nc12 ZINC000006860553 569088869 /nfs/dbraw/zinc/08/88/69/569088869.db2.gz PHIWKTSLJAIMPG-UHFFFAOYSA-N 0 0 444.516 5.498 40 5 IKBBRN CCc1cccc2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccccc3)nc12 ZINC000006860535 569088874 /nfs/dbraw/zinc/08/88/74/569088874.db2.gz OLPPLXNYZUCTJV-UHFFFAOYSA-N 0 0 444.516 5.498 40 5 IKBBRN Cc1c(C)n(-c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)c(C)c(C)c2O)c2ccccc12 ZINC000016779699 569161918 /nfs/dbraw/zinc/16/19/18/569161918.db2.gz UAIRLLOASPCCGD-UHFFFAOYSA-N 0 0 429.476 5.730 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc(Cl)cc2)cc1/C=C/c1ccc(Cl)cc1 ZINC000016926214 569166307 /nfs/dbraw/zinc/16/63/07/569166307.db2.gz DQXLCWYBKTXKQI-JOTJMYPPSA-N 0 0 441.270 7.151 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000017096454 569172247 /nfs/dbraw/zinc/17/22/47/569172247.db2.gz LQTKDINVZZVORE-OAHLLOKOSA-N 0 0 429.476 6.477 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000017096462 569172616 /nfs/dbraw/zinc/17/26/16/569172616.db2.gz SVDLEYSYEZFYDE-HNNXBMFYSA-N 0 0 429.476 6.477 40 5 IKBBRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017095101 569172839 /nfs/dbraw/zinc/17/28/39/569172839.db2.gz XJWZGPVIROGGBQ-UHFFFAOYSA-N 0 0 426.639 6.172 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000017094597 569172941 /nfs/dbraw/zinc/17/29/41/569172941.db2.gz IWOLUMABUUKBLW-UHFFFAOYSA-N 0 0 425.655 6.376 40 5 IKBBRN CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000017098749 569173259 /nfs/dbraw/zinc/17/32/59/569173259.db2.gz CZDQCLOVWBBSHI-XVNBXDOJSA-N 0 0 434.323 5.790 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccc(-c2nc3ccccc3o2)cc1 ZINC000017098652 569173441 /nfs/dbraw/zinc/17/34/41/569173441.db2.gz NUYKKRCSNUCUJV-XYOKQWHBSA-N 0 0 433.851 5.386 40 5 IKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000017098303 569173523 /nfs/dbraw/zinc/17/35/23/569173523.db2.gz MXLHSSKHVJZEBQ-WEVVVXLNSA-N 0 0 433.247 5.822 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000017099754 569173563 /nfs/dbraw/zinc/17/35/63/569173563.db2.gz FOAZIPINNRVYHA-UXBLZVDNSA-N 0 0 435.892 6.177 40 5 IKBBRN O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000017103274 569173634 /nfs/dbraw/zinc/17/36/34/569173634.db2.gz ZMYNBQDXXMFLAP-UHFFFAOYSA-N 0 0 439.427 5.593 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000017099737 569173805 /nfs/dbraw/zinc/17/38/05/569173805.db2.gz BJQWZLSEAADCLY-PKNBQFBNSA-N 0 0 435.892 6.177 40 5 IKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1[N+](=O)[O-] ZINC000017098299 569173934 /nfs/dbraw/zinc/17/39/34/569173934.db2.gz XSUYGFOIRVWOTJ-QPJJXVBHSA-N 0 0 433.247 5.822 40 5 IKBBRN Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1Cl ZINC000017101854 569173938 /nfs/dbraw/zinc/17/39/38/569173938.db2.gz LBBDYGTZLXMYTD-UHFFFAOYSA-N 0 0 438.094 5.843 40 5 IKBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000214878012 569190441 /nfs/dbraw/zinc/19/04/41/569190441.db2.gz YSWRVYZPWVZDLQ-LZYBPNLTSA-N 0 0 439.276 5.147 40 5 IKBBRN O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000224940496 569196343 /nfs/dbraw/zinc/19/63/43/569196343.db2.gz XBQIXKANZLNKEE-NCELDCMTSA-N 0 0 427.504 5.764 40 5 IKBBRN O=C1S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1Cc1ccccc1 ZINC000214070203 569208357 /nfs/dbraw/zinc/20/83/57/569208357.db2.gz MSCUSUYWRJTPMD-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225026752 569213740 /nfs/dbraw/zinc/21/37/40/569213740.db2.gz DPAKPFCXNRDXFQ-YADHBBJMSA-N 0 0 434.521 5.165 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 ZINC000225032456 569213752 /nfs/dbraw/zinc/21/37/52/569213752.db2.gz IEYGESFJPGTDHJ-VXKWHMMOSA-N 0 0 434.521 5.165 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 ZINC000225032337 569213755 /nfs/dbraw/zinc/21/37/55/569213755.db2.gz IEYGESFJPGTDHJ-FGZHOGPDSA-N 0 0 434.521 5.165 40 5 IKBBRN O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215028490 569214004 /nfs/dbraw/zinc/21/40/04/569214004.db2.gz FBXCHMSAEDBLBP-KGENOOAVSA-N 0 0 432.457 5.624 40 5 IKBBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)o2)cc1 ZINC000215016599 569215165 /nfs/dbraw/zinc/21/51/65/569215165.db2.gz DEIYVAHYNGRRRM-CIAFOILYSA-N 0 0 448.456 5.294 40 5 IKBBRN Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccc([N+](=O)[O-])cc4)cc3)sc2c1 ZINC000020238386 569241038 /nfs/dbraw/zinc/24/10/38/569241038.db2.gz GYZSMPUSNSKCRO-UHFFFAOYSA-N 0 0 449.557 6.052 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C ZINC000033601606 569244837 /nfs/dbraw/zinc/24/48/37/569244837.db2.gz ZDSQVENLPVZAQZ-UHFFFAOYSA-N 0 0 429.885 5.252 40 5 IKBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000033606938 569244848 /nfs/dbraw/zinc/24/48/48/569244848.db2.gz DCYVDYXBZINZQS-UHFFFAOYSA-N 0 0 425.872 5.751 40 5 IKBBRN C/C(=C\c1cc(Br)cc(Br)c1OC(=O)c1ccccc1)[N+](=O)[O-] ZINC000033850462 569246993 /nfs/dbraw/zinc/24/69/93/569246993.db2.gz NNBRMHBVXSCQLD-JXMROGBWSA-N 0 0 441.075 5.068 40 5 IKBBRN Cc1ccc(N2C(=N)S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1Cl ZINC000059639191 569249751 /nfs/dbraw/zinc/24/97/51/569249751.db2.gz ZWOBKMUETIQUOK-AXBFJITISA-N 0 0 439.880 5.872 40 5 IKBBRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000107701936 569251023 /nfs/dbraw/zinc/25/10/23/569251023.db2.gz GOTFPMRGWHUTBU-AATRIKPKSA-N 0 0 447.510 5.691 40 5 IKBBRN CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000107741946 569251128 /nfs/dbraw/zinc/25/11/28/569251128.db2.gz GYLLWWSDMJGWMK-ZDUSSCGKSA-N 0 0 439.493 5.201 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 ZINC000107950295 569251756 /nfs/dbraw/zinc/25/17/56/569251756.db2.gz NYJOZAIYQGQSIK-UHFFFAOYSA-N 0 0 435.343 5.098 40 5 IKBBRN Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000108068421 569252124 /nfs/dbraw/zinc/25/21/24/569252124.db2.gz MJQXQUPYSCEBHT-MOSHPQCFSA-N 0 0 445.500 5.147 40 5 IKBBRN Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c([N+](=O)[O-])c1 ZINC000108970277 569253297 /nfs/dbraw/zinc/25/32/97/569253297.db2.gz BYXCQCNZAYFEHT-UHFFFAOYSA-N 0 0 440.333 5.552 40 5 IKBBRN O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1coc2ccc([N+](=O)[O-])cc21 ZINC000165934030 569255264 /nfs/dbraw/zinc/25/52/64/569255264.db2.gz LYJXSNAJRFHCQP-UHFFFAOYSA-N 0 0 435.417 5.653 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1Cc1ccccc1Cl ZINC000214122858 569264030 /nfs/dbraw/zinc/26/40/30/569264030.db2.gz XDKHAKQNIZCSSG-YBFXNURJSA-N 0 0 440.864 5.745 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214226399 569265717 /nfs/dbraw/zinc/26/57/17/569265717.db2.gz UFUDSBGHLALWQP-RGVLZGJSSA-N 0 0 438.436 5.539 40 5 IKBBRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O ZINC000215254685 569290174 /nfs/dbraw/zinc/29/01/74/569290174.db2.gz OWPNBSDHIHLWNH-LPYMAVHISA-N 0 0 448.500 5.772 40 5 IKBBRN CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000008831260 569290912 /nfs/dbraw/zinc/29/09/12/569290912.db2.gz BMUYPRKUFGXQTD-INIZCTEOSA-N 0 0 440.569 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O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000010542810 569300614 /nfs/dbraw/zinc/30/06/14/569300614.db2.gz PMQACEPQJXTKMR-UHFFFAOYSA-N 0 0 433.316 6.446 40 5 IKBBRN CCOc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000315369331 569302452 /nfs/dbraw/zinc/30/24/52/569302452.db2.gz FDIRNPRTEYHLSG-UHFFFAOYSA-N 0 0 430.096 5.131 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000068563082 569303804 /nfs/dbraw/zinc/30/38/04/569303804.db2.gz GCJMOUZZEAVLLT-UHFFFAOYSA-N 0 0 441.399 6.412 40 5 IKBBRN COc1cc2c3c(C)nn(-c4ccccc4)c3nc(-c3cccc([N+](=O)[O-])c3)c2cc1OC ZINC000070503638 569312915 /nfs/dbraw/zinc/31/29/15/569312915.db2.gz JDEASHZSXDFPQM-UHFFFAOYSA-N 0 0 440.459 5.475 40 5 IKBBRN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)cc3n2)cc1 ZINC000013371638 569314383 /nfs/dbraw/zinc/31/43/83/569314383.db2.gz HQPUENYQGYAKGS-UHFFFAOYSA-N 0 0 439.431 5.149 40 5 IKBBRN 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CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677819 569393868 /nfs/dbraw/zinc/39/38/68/569393868.db2.gz BQXYQNIKSOMPKQ-UHFFFAOYSA-N 0 0 432.520 6.377 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 ZINC000022529018 569403434 /nfs/dbraw/zinc/40/34/34/569403434.db2.gz MHZMVUWYKGEMTL-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl ZINC000225538706 569403680 /nfs/dbraw/zinc/40/36/80/569403680.db2.gz LZTWYKLYWPLEBL-MRXNPFEDSA-N 0 0 446.931 5.503 40 5 IKBBRN COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1Cl ZINC000225538826 569403710 /nfs/dbraw/zinc/40/37/10/569403710.db2.gz ZKKUUDLIKAMXDH-UHFFFAOYSA-N 0 0 432.904 5.114 40 5 IKBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225758035 569408061 /nfs/dbraw/zinc/40/80/61/569408061.db2.gz ZHGPRRVUSMKJAZ-UHFFFAOYSA-N 0 0 432.520 6.376 40 5 IKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(=O)OC ZINC000225756835 569408109 /nfs/dbraw/zinc/40/81/09/569408109.db2.gz JTCVKMNSQONNKH-UHFFFAOYSA-N 0 0 440.496 5.011 40 5 IKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771488 569408499 /nfs/dbraw/zinc/40/84/99/569408499.db2.gz UCWGQKDMNIVEFJ-UHFFFAOYSA-N 0 0 434.492 5.224 40 5 IKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2cccnc12 ZINC000225860261 569409467 /nfs/dbraw/zinc/40/94/67/569409467.db2.gz RMFXWFQGTOPBAH-UHFFFAOYSA-N 0 0 433.508 5.772 40 5 IKBBRN C[C@H](CCc1ccco1)N(C)C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002729975 569418179 /nfs/dbraw/zinc/41/81/79/569418179.db2.gz XXGLDVHAVSFITA-MRXNPFEDSA-N 0 0 442.899 5.514 40 5 IKBBRN O=Cc1cn(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c2ccccc12 ZINC000226769301 569429230 /nfs/dbraw/zinc/42/92/30/569429230.db2.gz IVMDYBQHOAYXCM-UHFFFAOYSA-N 0 0 439.221 5.073 40 5 IKBBRN COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000216413589 569429953 /nfs/dbraw/zinc/42/99/53/569429953.db2.gz NVFIRYNNZAYEEX-QQNZBJPCSA-N 0 0 444.531 6.048 40 5 IKBBRN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313441 569430620 /nfs/dbraw/zinc/43/06/20/569430620.db2.gz LCFYVETUCSUBDD-UHFFFAOYSA-N 0 0 449.875 6.523 40 5 IKBBRN CC(C)CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000057313425 569430631 /nfs/dbraw/zinc/43/06/31/569430631.db2.gz VTOSYBRORIYXCR-ACCUITESSA-N 0 0 433.464 5.491 40 5 IKBBRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000057316172 569430841 /nfs/dbraw/zinc/43/08/41/569430841.db2.gz QGMSTDOGDXASFL-UHFFFAOYSA-N 0 0 439.512 5.040 40 5 IKBBRN Cc1ccccc1[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000030850170 569449719 /nfs/dbraw/zinc/44/97/19/569449719.db2.gz NTJLXHLFCVCJFK-PCOPNOGXSA-N 0 0 448.522 6.350 40 5 IKBBRN 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ZINC000059428143 569461330 /nfs/dbraw/zinc/46/13/30/569461330.db2.gz USWIFJIEMFIFKS-UHFFFAOYSA-N 0 0 442.587 6.247 40 5 IKBBRN O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(F)c([N+](=O)[O-])c1 ZINC000059459247 569461443 /nfs/dbraw/zinc/46/14/43/569461443.db2.gz ZBRAOLXAGUFTBJ-UHFFFAOYSA-N 0 0 434.345 5.584 40 5 IKBBRN COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463601 569461489 /nfs/dbraw/zinc/46/14/89/569461489.db2.gz BOTIPOMCJNNXCJ-UHFFFAOYSA-N 0 0 445.500 5.955 40 5 IKBBRN CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 ZINC000059490034 569461598 /nfs/dbraw/zinc/46/15/98/569461598.db2.gz VIDVLQXJVHJTQA-HYBUGGRVSA-N 0 0 443.975 5.938 40 5 IKBBRN O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1sc2cc(Cl)ccc2c1Cl ZINC000039755617 569481881 /nfs/dbraw/zinc/48/18/81/569481881.db2.gz YXGWTKDPIGPVAO-UHFFFAOYSA-N 0 0 435.248 5.419 40 5 IKBBRN CC[C@@H](C)Nc1nc(Nc2ccc([N+](=O)[O-])cc2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328967582 569584587 /nfs/dbraw/zinc/58/45/87/569584587.db2.gz CVWJUSFFCWAIBN-CYBMUJFWSA-N 0 0 447.417 5.904 40 5 IKBBRN CCOc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 ZINC000016691484 520860709 /nfs/dbraw/zinc/86/07/09/520860709.db2.gz KBMGLBQFARHCSH-OHYPFYFLSA-N 0 0 448.547 7.494 40 5 IKBBRN CN(C)c1ccc(NC(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)cc1 ZINC000035313219 522224381 /nfs/dbraw/zinc/22/43/81/522224381.db2.gz HSGFFOPLSGICCR-UHFFFAOYSA-N 0 0 445.573 5.190 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610815 522431165 /nfs/dbraw/zinc/43/11/65/522431165.db2.gz OGRXMUJUJGJRJO-OAHLLOKOSA-N 0 0 445.475 6.177 40 5 IKBBRN Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000020456872 524816848 /nfs/dbraw/zinc/81/68/48/524816848.db2.gz VGJIGNSFBYYNMV-UHFFFAOYSA-N 0 0 428.535 5.137 40 5 IKBBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020797376 525022757 /nfs/dbraw/zinc/02/27/57/525022757.db2.gz XEVTXUWZEFGNFU-QHCPKHFHSA-N 0 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556435496 /nfs/dbraw/zinc/43/54/96/556435496.db2.gz BOBLHLZIBWNCPR-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408908635 556494038 /nfs/dbraw/zinc/49/40/38/556494038.db2.gz WZSXYLKIMDVDDD-CJLVFECKSA-N 0 0 438.936 5.697 40 5 IKBBRN Cc1nc2c(sc3ccccc3n2C)c2nc3c(sc4ccccc4n3C)c(C)c12 ZINC000013208342 556498999 /nfs/dbraw/zinc/49/89/99/556498999.db2.gz ATOJLSUPPYWAFC-UHFFFAOYSA-N 0 0 428.586 6.784 40 5 IKBBRN COc1ccc(/N=c2\oc3ccc4ccccc4c3cc2-c2nc3ccccc3s2)cc1 ZINC000016216069 556591910 /nfs/dbraw/zinc/59/19/10/556591910.db2.gz VUCBAECIWNLEOF-SGEDCAFJSA-N 0 0 434.520 7.104 40 5 IKBBRN CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 ZINC000408674849 556614275 /nfs/dbraw/zinc/61/42/75/556614275.db2.gz DHJPBLAWTBNSFA-UHFFFAOYSA-N 0 0 443.459 5.043 40 5 IKBBRN S=C(Nc1ccccc1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408974490 556615350 /nfs/dbraw/zinc/61/53/50/556615350.db2.gz AMZFLAHLIXMTJD-UHFFFAOYSA-N 0 0 432.512 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COc1ccc(-c2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)o2)c([N+](=O)[O-])c1 ZINC000408988484 556694219 /nfs/dbraw/zinc/69/42/19/556694219.db2.gz ICFLHHYYQSZEII-UHFFFAOYSA-N 0 0 437.477 5.510 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000013628617 556704456 /nfs/dbraw/zinc/70/44/56/556704456.db2.gz MFACXRJQQHXFRO-XNTDXEJSSA-N 0 0 443.503 5.797 40 5 IKBBRN O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000013632463 556704749 /nfs/dbraw/zinc/70/47/49/556704749.db2.gz ZWIRPSIIOLMQFD-UHFFFAOYSA-N 0 0 433.316 6.446 40 5 IKBBRN O=c1[nH]c(-c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc2sc3c(c21)CCCCC3 ZINC000408991284 556707494 /nfs/dbraw/zinc/70/74/94/556707494.db2.gz QBHJNXDMCADXMG-UHFFFAOYSA-N 0 0 441.896 6.154 40 5 IKBBRN CCOc1ccc(NC(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)cc1 ZINC000408995452 556709476 /nfs/dbraw/zinc/70/94/76/556709476.db2.gz ACPOGRVQNUUATH-UHFFFAOYSA-N 0 0 434.521 5.008 40 5 IKBBRN COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc1CC2 ZINC000409050828 556754409 /nfs/dbraw/zinc/75/44/09/556754409.db2.gz ARYFYMUZRCDVJN-UHFFFAOYSA-N 0 0 429.885 5.040 40 5 IKBBRN Cc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000409053658 556758004 /nfs/dbraw/zinc/75/80/04/556758004.db2.gz NXTJLRWQRNWIEN-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN Cc1cc(C)c2nc3sc4c(ncnc4S[C@@H]4Cc5ccccc5C4=O)c3cc2c1 ZINC000001327872 556773401 /nfs/dbraw/zinc/77/34/01/556773401.db2.gz FIXNXCOIKCHNOG-GOSISDBHSA-N 0 0 427.554 5.909 40 5 IKBBRN CCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409070734 556774486 /nfs/dbraw/zinc/77/44/86/556774486.db2.gz ZCJLOPBKHOLFJW-FYJGNVAPSA-N 0 0 434.473 5.383 40 5 IKBBRN CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409102460 556795945 /nfs/dbraw/zinc/79/59/45/556795945.db2.gz ZYULPJLWUBZQDQ-UHFFFAOYSA-N 0 0 446.532 5.457 40 5 IKBBRN O=C1NC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1cccc(Cl)c1 ZINC000409099987 556796353 /nfs/dbraw/zinc/79/63/53/556796353.db2.gz SOSKWWSFUFOZOU-YBEGLDIGSA-N 0 0 444.230 5.259 40 5 IKBBRN Cc1ccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000409109909 556800264 /nfs/dbraw/zinc/80/02/64/556800264.db2.gz NSSOXCFWMAGXHY-UHFFFAOYSA-N 0 0 441.325 6.165 40 5 IKBBRN Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409111224 556801763 /nfs/dbraw/zinc/80/17/63/556801763.db2.gz BKPKGJIMDZXMFQ-UHFFFAOYSA-N 0 0 441.325 6.165 40 5 IKBBRN Cc1ccc(Cl)cc1NCc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409111951 556802014 /nfs/dbraw/zinc/80/20/14/556802014.db2.gz AVJOININQLHQFS-UHFFFAOYSA-N 0 0 436.817 6.980 40 5 IKBBRN CCc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409113749 556803948 /nfs/dbraw/zinc/80/39/48/556803948.db2.gz FHIYZDUEXIBCCY-UHFFFAOYSA-N 0 0 431.319 6.655 40 5 IKBBRN CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409114953 556805850 /nfs/dbraw/zinc/80/58/50/556805850.db2.gz FRFAEKAULKTUDX-UHFFFAOYSA-N 0 0 440.927 6.400 40 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ZINC000409124463 556822719 /nfs/dbraw/zinc/82/27/19/556822719.db2.gz HVCVKEDESQHABE-LDADJPATSA-N 0 0 446.812 6.446 40 5 IKBBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408772132 556847558 /nfs/dbraw/zinc/84/75/58/556847558.db2.gz BJZQWGIXFIOHOY-QCHPHUCNSA-N 0 0 435.505 5.325 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408832898 556866731 /nfs/dbraw/zinc/86/67/31/556866731.db2.gz SDPHKNNWIPIRCU-UHFFFAOYSA-N 0 0 430.489 5.649 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1CC1CCCCC1 ZINC000409139424 556873346 /nfs/dbraw/zinc/87/33/46/556873346.db2.gz AHJUUDJAHSIOER-YBFXNURJSA-N 0 0 446.912 6.125 40 5 IKBBRN Cc1cc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)ccc1Br ZINC000408909040 556883916 /nfs/dbraw/zinc/88/39/16/556883916.db2.gz GFARRZPZEPGYDJ-XSFVSMFZSA-N 0 0 437.293 5.845 40 5 IKBBRN Cc1ccc(CSCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408906733 556884681 /nfs/dbraw/zinc/88/46/81/556884681.db2.gz DKPFNDFMQOFECJ-JJIBRWJFSA-N 0 0 432.545 5.493 40 5 IKBBRN CCOc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000408974948 556905398 /nfs/dbraw/zinc/90/53/98/556905398.db2.gz GLHZJDONOCJWTP-UHFFFAOYSA-N 0 0 445.482 5.530 40 5 IKBBRN CN(C)c1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408976982 556906509 /nfs/dbraw/zinc/90/65/09/556906509.db2.gz UDYIQPYSTNQSQC-UHFFFAOYSA-N 0 0 444.498 5.198 40 5 IKBBRN CN(C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1 ZINC000408977828 556907092 /nfs/dbraw/zinc/90/70/92/556907092.db2.gz YJLVHGHAQWVJAG-UHFFFAOYSA-N 0 0 446.539 5.713 40 5 IKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c3ccccc3cc3ccccc31)N2 ZINC000408992681 556910828 /nfs/dbraw/zinc/91/08/28/556910828.db2.gz AWJQBXWGKHPFBG-DNCXPJJSSA-N 0 0 442.518 7.372 40 5 IKBBRN Cc1nn(-c2ccc(C)cc2C)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408997400 556912648 /nfs/dbraw/zinc/91/26/48/556912648.db2.gz OFOFYHHFSRXJEJ-VOTSOKGWSA-N 0 0 437.412 5.001 40 5 IKBBRN CCCN(Cc1ccccc1)C(=O)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000409000866 556914301 /nfs/dbraw/zinc/91/43/01/556914301.db2.gz NLUZMSDPLNUKHQ-UHFFFAOYSA-N 0 0 426.545 6.442 40 5 IKBBRN COc1cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1[N+](=O)[O-] ZINC000219824205 556918363 /nfs/dbraw/zinc/91/83/63/556918363.db2.gz PTMLXBWYQVMZLH-UHFFFAOYSA-N 0 0 436.508 5.089 40 5 IKBBRN O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000409098117 556953726 /nfs/dbraw/zinc/95/37/26/556953726.db2.gz NJYQWFQQMWGIFA-QRVIBDJDSA-N 0 0 427.485 5.683 40 5 IKBBRN Cc1cccc(NCc2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1C ZINC000409121867 556961765 /nfs/dbraw/zinc/96/17/65/556961765.db2.gz YQBMLBSLGUJVRV-UHFFFAOYSA-N 0 0 441.325 6.165 40 5 IKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-] ZINC000409178272 556986859 /nfs/dbraw/zinc/98/68/59/556986859.db2.gz FYDGQDOFNIKIEK-UHFFFAOYSA-N 0 0 444.852 5.665 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000409179331 556987610 /nfs/dbraw/zinc/98/76/10/556987610.db2.gz RGHSIHFVHOMJPK-UHFFFAOYSA-N 0 0 432.476 5.502 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 ZINC000409184451 556990764 /nfs/dbraw/zinc/99/07/64/556990764.db2.gz XDPGLECCWFGSGD-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 ZINC000409192795 556992411 /nfs/dbraw/zinc/99/24/11/556992411.db2.gz BICFACXQHOUIDZ-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN CCC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)ccc1C ZINC000409176651 556995122 /nfs/dbraw/zinc/99/51/22/556995122.db2.gz UIBIWMPZCKPGTJ-DEOSSOPVSA-N 0 0 446.459 5.033 40 5 IKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409177636 556996247 /nfs/dbraw/zinc/99/62/47/556996247.db2.gz BGYIMIBIZCHIAE-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 ZINC000409206998 556996397 /nfs/dbraw/zinc/99/63/97/556996397.db2.gz YFXGAAYGEYCRKW-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br ZINC000409178286 556996529 /nfs/dbraw/zinc/99/65/29/556996529.db2.gz GHOOSGMFTHBJHF-HXUWFJFHSA-N 0 0 440.249 5.138 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 ZINC000409178676 556997099 /nfs/dbraw/zinc/99/70/99/556997099.db2.gz NSAKKKZFSWLYNC-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Nc1ccccc1 ZINC000409179598 556999015 /nfs/dbraw/zinc/99/90/15/556999015.db2.gz RTHZYRFGEDJAQU-UHFFFAOYSA-N 0 0 440.455 6.488 40 5 IKBBRN O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000409180925 557000465 /nfs/dbraw/zinc/00/04/65/557000465.db2.gz UYDWMNGXIBJEAE-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN O=C(O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1 ZINC000409182709 557002897 /nfs/dbraw/zinc/00/28/97/557002897.db2.gz 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Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000409202547 557013720 /nfs/dbraw/zinc/01/37/20/557013720.db2.gz UJNTZGVXPKJFCA-BZZOAKBMSA-N 0 0 449.919 5.723 40 5 IKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1C ZINC000409203255 557014953 /nfs/dbraw/zinc/01/49/53/557014953.db2.gz XEPJOVRJAQPPLT-QPLCGJKRSA-N 0 0 443.528 5.687 40 5 IKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1CCc1ccccc1 ZINC000409203920 557015211 /nfs/dbraw/zinc/01/52/11/557015211.db2.gz ZYFHERPROKNHFQ-ZHZULCJRSA-N 0 0 447.472 5.061 40 5 IKBBRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408534768 557032598 /nfs/dbraw/zinc/03/25/98/557032598.db2.gz WOLYFVZSWNHTJE-UHFFFAOYSA-N 0 0 431.835 5.591 40 5 IKBBRN Cc1noc(/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)c1[N+](=O)[O-] ZINC000408542716 557033922 /nfs/dbraw/zinc/03/39/22/557033922.db2.gz KRTFZDKYNAZWKE-WEVVVXLNSA-N 0 0 433.233 5.542 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408554235 557036608 /nfs/dbraw/zinc/03/66/08/557036608.db2.gz CMOIYFZFPBCKBD-UHFFFAOYSA-N 0 0 443.843 5.356 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000408554243 557036629 /nfs/dbraw/zinc/03/66/29/557036629.db2.gz CNNYEFKAXYIUHZ-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552453 557036668 /nfs/dbraw/zinc/03/66/68/557036668.db2.gz IPTQWEDUPWZJDA-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN O=[N+]([O-])c1ccc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000408555655 557037298 /nfs/dbraw/zinc/03/72/98/557037298.db2.gz HTTHUBIJZRQSGL-UHFFFAOYSA-N 0 0 431.433 5.173 40 5 IKBBRN Cc1cccc(NC(=O)COc2ccc(CNc3cccc([N+](=O)[O-])c3)cc2Cl)c1 ZINC000408557759 557037890 /nfs/dbraw/zinc/03/78/90/557037890.db2.gz ORYRWMRQFTXTFA-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 ZINC000408559284 557038709 /nfs/dbraw/zinc/03/87/09/557038709.db2.gz ZBUMPEKKSGJWRL-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2cccc([N+](=O)[O-])c2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561105 557039733 /nfs/dbraw/zinc/03/97/33/557039733.db2.gz GOVNTKCPDQUPLR-LNVKXUELSA-N 0 0 429.929 5.492 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(F)cc1 ZINC000408562166 557040269 /nfs/dbraw/zinc/04/02/69/557040269.db2.gz NQJXOEORDYXONP-ATJXCDBQSA-N 0 0 433.892 5.241 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000408572568 557041063 /nfs/dbraw/zinc/04/10/63/557041063.db2.gz KEPRLJPCKFMRGN-DHZHZOJOSA-N 0 0 427.869 5.035 40 5 IKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(C)cc1 ZINC000408572059 557041118 /nfs/dbraw/zinc/04/11/18/557041118.db2.gz QNDADSROBHFNKW-QHCPKHFHSA-N 0 0 430.504 5.863 40 5 IKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCC ZINC000408565496 557041677 /nfs/dbraw/zinc/04/16/77/557041677.db2.gz CBQNOLLIOQQXJX-INIZCTEOSA-N 0 0 433.302 5.136 40 5 IKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1F ZINC000408566196 557041739 /nfs/dbraw/zinc/04/17/39/557041739.db2.gz FAQPQGNBSGCMOD-OAQYLSRUSA-N 0 0 434.467 5.693 40 5 IKBBRN O=[N+]([O-])C[C@@H](c1c[nH]c2ccccc21)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408569085 557041891 /nfs/dbraw/zinc/04/18/91/557041891.db2.gz ISWGGSUGLTVJFM-HXUWFJFHSA-N 0 0 441.314 6.462 40 5 IKBBRN O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408573343 557042012 /nfs/dbraw/zinc/04/20/12/557042012.db2.gz BUQWSDCAAXORNP-LYBHJNIJSA-N 0 0 436.467 6.566 40 5 IKBBRN COC(=O)c1c(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)sc2c1CCC2 ZINC000408575618 557045198 /nfs/dbraw/zinc/04/51/98/557045198.db2.gz ODPNSCJTZFEHJT-XMHGGMMESA-N 0 0 448.500 5.111 40 5 IKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408585798 557045922 /nfs/dbraw/zinc/04/59/22/557045922.db2.gz IUYXWFLTKGDSBB-UHFFFAOYSA-N 0 0 427.254 5.189 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Br)cc1 ZINC000408610600 557064812 /nfs/dbraw/zinc/06/48/12/557064812.db2.gz QMFUSEMECWQLMX-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408613738 557067988 /nfs/dbraw/zinc/06/79/88/557067988.db2.gz ZUYZKZHPCIAENE-UHFFFAOYSA-N 0 0 443.843 5.356 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408607219 557069742 /nfs/dbraw/zinc/06/97/42/557069742.db2.gz JZTZFJSTPSIERE-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)ccc1Br ZINC000408626169 557071950 /nfs/dbraw/zinc/07/19/50/557071950.db2.gz ZVVYSJCVQWICCM-UHFFFAOYSA-N 0 0 435.661 5.831 40 5 IKBBRN Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408618788 557075269 /nfs/dbraw/zinc/07/52/69/557075269.db2.gz GPUMCFFHGXAXGP-UHFFFAOYSA-N 0 0 435.661 5.831 40 5 IKBBRN CC(C)n1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 ZINC000409349613 557077826 /nfs/dbraw/zinc/07/78/26/557077826.db2.gz UJAMIUMFIYYAPD-SRZZPIQSSA-N 0 0 449.488 5.050 40 5 IKBBRN O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000409385421 557092462 /nfs/dbraw/zinc/09/24/62/557092462.db2.gz LOAQIRLMDYWYST-UHFFFAOYSA-N 0 0 439.802 5.688 40 5 IKBBRN Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(Cl)cc2)cc1 ZINC000408678764 557097831 /nfs/dbraw/zinc/09/78/31/557097831.db2.gz CXPLJGPFWOCNOR-JOCHJYFZSA-N 0 0 443.908 5.345 40 5 IKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc(C=O)cc3[N+](=O)[O-])n2)cc1 ZINC000409386381 557098744 /nfs/dbraw/zinc/09/87/44/557098744.db2.gz FDRJTNDLRRNXJC-UHFFFAOYSA-N 0 0 435.383 5.043 40 5 IKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)cc1 ZINC000408695383 557106472 /nfs/dbraw/zinc/10/64/72/557106472.db2.gz QHLJVSVHNJBFOJ-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN COc1cc(C(=O)Nc2c3ccccc3n3c2c2ccccc2nc3C)cc(OC)c1OC ZINC000014912683 557120693 /nfs/dbraw/zinc/12/06/93/557120693.db2.gz WKGJDXUEBHDQLY-UHFFFAOYSA-N 0 0 441.487 5.227 40 5 IKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1 ZINC000014943940 557123528 /nfs/dbraw/zinc/12/35/28/557123528.db2.gz UQJOWOWBSOWFNQ-MDWZMJQESA-N 0 0 448.276 6.263 40 5 IKBBRN COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000408723602 557137086 /nfs/dbraw/zinc/13/70/86/557137086.db2.gz XSCLUZDFICLLCX-UHFFFAOYSA-N 0 0 445.500 5.955 40 5 IKBBRN COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408734517 557142096 /nfs/dbraw/zinc/14/20/96/557142096.db2.gz HHVVNDNTGHYDKG-UHFFFAOYSA-N 0 0 437.477 5.177 40 5 IKBBRN O=c1[nH]c(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCC3 ZINC000408735897 557145368 /nfs/dbraw/zinc/14/53/68/557145368.db2.gz ZACFUXNEDXGOTG-UHFFFAOYSA-N 0 0 427.869 5.764 40 5 IKBBRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc([N+](=O)[O-])c3)c(Cl)c2)C1=O ZINC000408814849 557226720 /nfs/dbraw/zinc/22/67/20/557226720.db2.gz GOWWHKCLHBWEEE-NVNXTCNLSA-N 0 0 439.276 5.147 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408822081 557236481 /nfs/dbraw/zinc/23/64/81/557236481.db2.gz BDPXDVPLMWVEQA-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccn3)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408823172 557237371 /nfs/dbraw/zinc/23/73/71/557237371.db2.gz DZINAZZKNIQFPT-UHFFFAOYSA-N 0 0 430.489 5.649 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(Cl)cc2)s1)c1ccncc1 ZINC000408829880 557246524 /nfs/dbraw/zinc/24/65/24/557246524.db2.gz OXNBFEFHJIHZGA-UHFFFAOYSA-N 0 0 436.880 5.686 40 5 IKBBRN COc1ccc(-c2sc(NC(=O)c3ccncc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408836641 557255938 /nfs/dbraw/zinc/25/59/38/557255938.db2.gz TXLLLWRNDNJOLF-UHFFFAOYSA-N 0 0 432.461 5.041 40 5 IKBBRN O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000005707243 557282905 /nfs/dbraw/zinc/28/29/05/557282905.db2.gz PQHZYMLDHCIVGZ-UHFFFAOYSA-N 0 0 439.536 6.503 40 5 IKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)c(Cl)cc1[N+](=O)[O-] ZINC000072229148 557343256 /nfs/dbraw/zinc/34/32/56/557343256.db2.gz WLDHVUBFKQYQJG-OAHLLOKOSA-N 0 0 429.948 6.177 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1NC(=O)c1ccccc1 ZINC000000843993 557402023 /nfs/dbraw/zinc/40/20/23/557402023.db2.gz NJTQVWVRWUUVAR-UHFFFAOYSA-N 0 0 441.443 5.668 40 5 IKBBRN O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc([N+](=O)[O-])cc1Cl ZINC000408529569 557413294 /nfs/dbraw/zinc/41/32/94/557413294.db2.gz MJNQBTHFMRSMMH-UHFFFAOYSA-N 0 0 447.834 5.717 40 5 IKBBRN CCOc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000408544501 557416129 /nfs/dbraw/zinc/41/61/29/557416129.db2.gz UHVLWHPWENEPSF-UITAMQMPSA-N 0 0 449.290 6.346 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408557850 557416470 /nfs/dbraw/zinc/41/64/70/557416470.db2.gz QFLBJVMURWNEKX-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN CCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)cc1 ZINC000408562339 557416751 /nfs/dbraw/zinc/41/67/51/557416751.db2.gz OZCVKBPGCSYSCA-LNVKXUELSA-N 0 0 429.929 5.410 40 5 IKBBRN Cc1nnc(S[C@@H](C[N+](=O)[O-])c2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 ZINC000408573437 557419926 /nfs/dbraw/zinc/41/99/26/557419926.db2.gz SUMZUFHAARSXLA-QHCPKHFHSA-N 0 0 446.532 5.265 40 5 IKBBRN Cc1ccc(-n2c(Sc3ccc(C=O)cc3[N+](=O)[O-])nnc2-c2ccccc2O)c(C)c1 ZINC000408606838 557421344 /nfs/dbraw/zinc/42/13/44/557421344.db2.gz RDTXMZPOBZWEFF-UHFFFAOYSA-N 0 0 446.488 5.129 40 5 IKBBRN Cc1noc(/C=C/c2ccc(OCC(=O)Nc3ccc(Cl)c(C)c3)cc2)c1[N+](=O)[O-] ZINC000408608488 557421633 /nfs/dbraw/zinc/42/16/33/557421633.db2.gz WRUWVNLXTPHZQW-BJMVGYQFSA-N 0 0 427.844 5.041 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408612283 557422180 /nfs/dbraw/zinc/42/21/80/557422180.db2.gz VDZJRVNLBBXDPR-UHFFFAOYSA-N 0 0 448.906 6.601 40 5 IKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccccc3)[S@](=O)Cc3ccccc3)c2c1 ZINC000005734121 557473136 /nfs/dbraw/zinc/47/31/36/557473136.db2.gz FKEOUYLTWWQQQK-VGYPXPETSA-N 0 0 435.530 5.512 40 5 IKBBRN O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000000849439 557509082 /nfs/dbraw/zinc/50/90/82/557509082.db2.gz QCZQBXLZWLPWQH-UHFFFAOYSA-N 0 0 428.231 5.962 40 5 IKBBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)cc1 ZINC000106707940 557531593 /nfs/dbraw/zinc/53/15/93/557531593.db2.gz QFSQZIMQKIVCJT-NDENLUEZSA-N 0 0 447.472 5.327 40 5 IKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1c(Cl)cccc1Cl ZINC000106714238 557531733 /nfs/dbraw/zinc/53/17/33/557531733.db2.gz PKAJJCGJMPXZHW-CHHVJCJISA-N 0 0 443.695 5.792 40 5 IKBBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000106729164 557531788 /nfs/dbraw/zinc/53/17/88/557531788.db2.gz ZLNGPYRIOSEAEL-GQFJFNLSSA-N 0 0 442.493 5.017 40 5 IKBBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000106739339 557532176 /nfs/dbraw/zinc/53/21/76/557532176.db2.gz DJOYALFKQRUKOC-MOSHPQCFSA-N 0 0 442.493 5.019 40 5 IKBBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OC ZINC000106729161 557532180 /nfs/dbraw/zinc/53/21/80/557532180.db2.gz ZLNGPYRIOSEAEL-FAPYRAKZSA-N 0 0 442.493 5.017 40 5 IKBBRN O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033618233 557808555 /nfs/dbraw/zinc/80/85/55/557808555.db2.gz RDMPFXQJIWHQMF-UHFFFAOYSA-N 0 0 433.445 5.421 40 5 IKBBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2CC(c3cccc4ccccc43)=Nc3ccccc3S2)c1 ZINC000005810658 562944764 /nfs/dbraw/zinc/94/47/64/562944764.db2.gz RFDIQYMVHMNYQP-VWLOTQADSA-N 0 0 444.943 7.759 40 5 IKBBRN COCc1cc(C)nc2sc3c(c21)N=C(c1ccc([N+](=O)[O-])cc1)O[C@@H]3c1ccccc1 ZINC000015023498 568628081 /nfs/dbraw/zinc/62/80/81/568628081.db2.gz PRZQQMPEWQODIO-OAQYLSRUSA-N 0 0 445.500 5.857 40 5 IKBBRN CCC(=O)Nc1cc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1C ZINC000001312541 568779493 /nfs/dbraw/zinc/77/94/93/568779493.db2.gz TVPDPUFFZZFIJT-UHFFFAOYSA-N 0 0 434.448 5.401 40 5 IKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223110515 568779669 /nfs/dbraw/zinc/77/96/69/568779669.db2.gz FNRYYTHDSWAEPR-PKTZIBPZSA-N 0 0 447.564 5.086 40 5 IKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223110901 568779701 /nfs/dbraw/zinc/77/97/01/568779701.db2.gz LOMZHUWXFJCMNE-GOTSBHOMSA-N 0 0 447.564 5.086 40 5 IKBBRN O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 ZINC000223110828 568779702 /nfs/dbraw/zinc/77/97/02/568779702.db2.gz LOMZHUWXFJCMNE-XZOQPEGZSA-N 0 0 447.564 5.086 40 5 IKBBRN O=Cc1cc(Br)c(OCc2c(Cl)cccc2[N+](=O)[O-])c(Br)c1 ZINC000001440512 568806715 /nfs/dbraw/zinc/80/67/15/568806715.db2.gz IKCTZKVSYPTISU-UHFFFAOYSA-N 0 0 449.482 5.165 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)c1 ZINC000223368192 568819852 /nfs/dbraw/zinc/81/98/52/568819852.db2.gz BXKHEYFHFMCZSL-YADHBBJMSA-N 0 0 446.488 5.016 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223368446 568819881 /nfs/dbraw/zinc/81/98/81/568819881.db2.gz MXQMVAMACHJYSN-FCHUYYIVSA-N 0 0 446.488 5.016 40 5 IKBBRN O=C(Nc1ccc2c(c1)oc1ccccc12)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223425717 568827575 /nfs/dbraw/zinc/82/75/75/568827575.db2.gz QJTDNDGQRLCWTI-LFVJCYFKSA-N 0 0 434.451 6.674 40 5 IKBBRN Cc1c(C(=O)NC(=S)N(c2ccccc2)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] ZINC000016250123 568874850 /nfs/dbraw/zinc/87/48/50/568874850.db2.gz LQNOYZHDWAIECY-UHFFFAOYSA-N 0 0 441.512 5.909 40 5 IKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000016284486 568875333 /nfs/dbraw/zinc/87/53/33/568875333.db2.gz DXSSRPBOIUWZII-UHFFFAOYSA-N 0 0 437.459 5.351 40 5 IKBBRN CC(=O)c1ccc(SCCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016321913 568876853 /nfs/dbraw/zinc/87/68/53/568876853.db2.gz LJOSSRUURSABLR-UHFFFAOYSA-N 0 0 448.522 5.573 40 5 IKBBRN CC(C)(C)Cc1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(CC(C)(C)C)c1 ZINC000016322832 568876882 /nfs/dbraw/zinc/87/68/82/568876882.db2.gz YVJAUQQCYMHTHX-UHFFFAOYSA-N 0 0 446.975 6.443 40 5 IKBBRN CC(=O)c1ccc(SCCCSc2ccc(C(C)=O)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016321915 568876887 /nfs/dbraw/zinc/87/68/87/568876887.db2.gz PRASLTDKIWLPRY-UHFFFAOYSA-N 0 0 434.495 5.183 40 5 IKBBRN CC(C)Sc1nnc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)s1 ZINC000223829146 568877453 /nfs/dbraw/zinc/87/74/53/568877453.db2.gz GTMCZKRBUHTPHK-SFQUDFHCSA-N 0 0 426.523 5.126 40 5 IKBBRN Cc1ccc(-c2nn(-c3cc(N4CCCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc32)cc1C ZINC000006280464 568881442 /nfs/dbraw/zinc/88/14/42/568881442.db2.gz AFNXRCRNHQNNGG-UHFFFAOYSA-N 0 0 440.503 5.178 40 5 IKBBRN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 ZINC000016384258 568885685 /nfs/dbraw/zinc/88/56/85/568885685.db2.gz HUEFXWMQGHIIDO-ACAGNQJTSA-N 0 0 442.052 5.009 40 5 IKBBRN CCc1cc(C)cc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)NC2=O)c1 ZINC000026593392 568888239 /nfs/dbraw/zinc/88/82/39/568888239.db2.gz GLQPMZAENAYWCY-UNOMPAQXSA-N 0 0 444.534 5.253 40 5 IKBBRN Cc1ccc(OCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1Cl ZINC000224120380 568905663 /nfs/dbraw/zinc/90/56/63/568905663.db2.gz YJPXHXXPYIUVNP-PXLXIMEGSA-N 0 0 436.895 5.292 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)cc1 ZINC000224163484 568908205 /nfs/dbraw/zinc/90/82/05/568908205.db2.gz GMRSGYXOGJCIGT-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1C(C)(C)C ZINC000224175465 568908719 /nfs/dbraw/zinc/90/87/19/568908719.db2.gz ZKFHJTMAOTWJJP-UHFFFAOYSA-N 0 0 448.519 6.041 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccccc1C(C)(C)C ZINC000224175554 568908745 /nfs/dbraw/zinc/90/87/45/568908745.db2.gz GRJWMKPXBQFIOG-UHFFFAOYSA-N 0 0 448.519 6.041 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)c(C)c1 ZINC000224211053 568916362 /nfs/dbraw/zinc/91/63/62/568916362.db2.gz ZXUVTNNBISPLBD-UHFFFAOYSA-N 0 0 440.883 5.705 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccc2ccccc2c1 ZINC000224318810 568917867 /nfs/dbraw/zinc/91/78/67/568917867.db2.gz BGWKASSMVJCAGU-UHFFFAOYSA-N 0 0 442.471 5.896 40 5 IKBBRN O=[N+]([O-])c1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 ZINC000016524034 568920731 /nfs/dbraw/zinc/92/07/31/568920731.db2.gz LPZVYPFVMOKDNE-UHFFFAOYSA-N 0 0 436.298 6.520 40 5 IKBBRN CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 ZINC000016637050 568926726 /nfs/dbraw/zinc/92/67/26/568926726.db2.gz DMRCHHOGLKIBKV-UHFFFAOYSA-N 0 0 440.681 5.002 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccccc1Cl ZINC000224480749 568928141 /nfs/dbraw/zinc/92/81/41/568928141.db2.gz RRJAXNAERGTGRN-UHFFFAOYSA-N 0 0 426.856 5.478 40 5 IKBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc(Cl)c2)cc1 ZINC000006510924 568928383 /nfs/dbraw/zinc/92/83/83/568928383.db2.gz NIYLGYHSFIHSHS-UHFFFAOYSA-N 0 0 433.895 5.626 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cc(C)cc(C)c1C ZINC000224612683 568941331 /nfs/dbraw/zinc/94/13/31/568941331.db2.gz UOSLYSSBDXHTGO-UHFFFAOYSA-N 0 0 434.492 5.750 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224615323 568941381 /nfs/dbraw/zinc/94/13/81/568941381.db2.gz DSEXCQPGKSPULI-UHFFFAOYSA-N 0 0 448.519 6.058 40 5 IKBBRN O=[N+]([O-])c1cccc(/C=C\c2nc3ccccc3nc2Oc2ccc(Br)cc2)c1 ZINC000036092279 568950687 /nfs/dbraw/zinc/95/06/87/568950687.db2.gz UQJOWOWBSOWFNQ-JYRVWZFOSA-N 0 0 448.276 6.263 40 5 IKBBRN O=C1[C@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)CC[C@@H]2c1ccccc1 ZINC000169683771 568997490 /nfs/dbraw/zinc/99/74/90/568997490.db2.gz PZRRIJLHRFAQDB-YCAMKHIRSA-N 0 0 426.472 5.062 40 5 IKBBRN CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001911805 569085654 /nfs/dbraw/zinc/08/56/54/569085654.db2.gz DWQSXLSNTQNNPF-UHFFFAOYSA-N 0 0 430.869 5.406 40 5 IKBBRN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000006924668 569109387 /nfs/dbraw/zinc/10/93/87/569109387.db2.gz XFZQMLOVVHCPDZ-UHFFFAOYSA-N 0 0 433.851 5.724 40 5 IKBBRN O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000016768117 569161367 /nfs/dbraw/zinc/16/13/67/569161367.db2.gz OCPPUUSFATZHNQ-UHFFFAOYSA-N 0 0 441.715 5.336 40 5 IKBBRN Cc1c(C)n(-c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c(C)c2O)c2ccccc12 ZINC000016779694 569161902 /nfs/dbraw/zinc/16/19/02/569161902.db2.gz PCWUSWVLPAIIME-UHFFFAOYSA-N 0 0 429.476 5.730 40 5 IKBBRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000017096289 569172597 /nfs/dbraw/zinc/17/25/97/569172597.db2.gz JWHXLXFZTYZBNK-UHFFFAOYSA-N 0 0 429.219 5.357 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 ZINC000017095351 569172629 /nfs/dbraw/zinc/17/26/29/569172629.db2.gz SZGJODZOUHZDIY-MDWZMJQESA-N 0 0 427.416 5.245 40 5 IKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000017094620 569172714 /nfs/dbraw/zinc/17/27/14/569172714.db2.gz SEFLCBRXWJPVKW-UHFFFAOYSA-N 0 0 425.853 5.884 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)nc2c1 ZINC000017096459 569172955 /nfs/dbraw/zinc/17/29/55/569172955.db2.gz KVWUMBYQIXPSCC-OAHLLOKOSA-N 0 0 429.476 6.477 40 5 IKBBRN CCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-] ZINC000017099926 569173272 /nfs/dbraw/zinc/17/32/72/569173272.db2.gz OAGRTCFIZHREPM-UHFFFAOYSA-N 0 0 436.247 5.917 40 5 IKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000017098730 569173397 /nfs/dbraw/zinc/17/33/97/569173397.db2.gz IOIVHUDVHXRMND-UHFFFAOYSA-N 0 0 434.260 6.024 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000017099719 569173552 /nfs/dbraw/zinc/17/35/52/569173552.db2.gz FGXSGUXTAPNOMY-NTUHNPAUSA-N 0 0 435.867 5.081 40 5 IKBBRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)c1cc2ccccc2o1 ZINC000017099717 569173626 /nfs/dbraw/zinc/17/36/26/569173626.db2.gz SRVKIKBCPYFFRW-UHFFFAOYSA-N 0 0 435.823 5.499 40 5 IKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000017101670 569173722 /nfs/dbraw/zinc/17/37/22/569173722.db2.gz CNWKCHGGCITSKP-ZZXKWVIFSA-N 0 0 437.666 6.467 40 5 IKBBRN Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3Cl)oc2c1 ZINC000017098653 569173765 /nfs/dbraw/zinc/17/37/65/569173765.db2.gz QPDMHIBWZNZKLH-UXBLZVDNSA-N 0 0 433.851 6.017 40 5 IKBBRN Cc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1[N+](=O)[O-] ZINC000224782816 569186818 /nfs/dbraw/zinc/18/68/18/569186818.db2.gz WAKBULRBBMGHQV-UHFFFAOYSA-N 0 0 440.565 5.196 40 5 IKBBRN COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c1 ZINC000224904372 569190730 /nfs/dbraw/zinc/19/07/30/569190730.db2.gz OPVSLBDUAHTIBJ-UHFFFAOYSA-N 0 0 429.432 5.486 40 5 IKBBRN Cc1c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] ZINC000224965498 569204288 /nfs/dbraw/zinc/20/42/88/569204288.db2.gz VRRDLMPJAPYZOQ-UHFFFAOYSA-N 0 0 433.851 6.131 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225032509 569213756 /nfs/dbraw/zinc/21/37/56/569213756.db2.gz AMBKQDYQHVDREW-FGZHOGPDSA-N 0 0 434.521 5.165 40 5 IKBBRN O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000215021383 569215173 /nfs/dbraw/zinc/21/51/73/569215173.db2.gz BKEAKNLGELQACJ-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000225085810 569215551 /nfs/dbraw/zinc/21/55/51/569215551.db2.gz RCVKLZUEDAJGII-UHFFFAOYSA-N 0 0 440.565 5.196 40 5 IKBBRN COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000033459228 569244129 /nfs/dbraw/zinc/24/41/29/569244129.db2.gz USRJYURFVUQMRW-SNAWJCMRSA-N 0 0 433.085 5.591 40 5 IKBBRN COc1ccccc1Nc1nc(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000033561231 569244602 /nfs/dbraw/zinc/24/46/02/569244602.db2.gz CHFOHIKASTTXSG-UHFFFAOYSA-N 0 0 433.489 6.050 40 5 IKBBRN O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033647999 569245201 /nfs/dbraw/zinc/24/52/01/569245201.db2.gz WLGUNWJGYMSWHI-UHFFFAOYSA-N 0 0 436.276 5.288 40 5 IKBBRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033720419 569246053 /nfs/dbraw/zinc/24/60/53/569246053.db2.gz SABMWWUKUVEIFJ-UHFFFAOYSA-N 0 0 434.835 6.553 40 5 IKBBRN Cc1c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cccc1[N+](=O)[O-] ZINC000033722691 569246065 /nfs/dbraw/zinc/24/60/65/569246065.db2.gz SOZZCHFCMLAPTH-UHFFFAOYSA-N 0 0 440.333 5.552 40 5 IKBBRN C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000034703510 569247329 /nfs/dbraw/zinc/24/73/29/569247329.db2.gz QSTMPBNDFBXSBD-INIZCTEOSA-N 0 0 441.494 5.471 40 5 IKBBRN CN(C)c1ccc(NC(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000104372658 569250310 /nfs/dbraw/zinc/25/03/10/569250310.db2.gz PEVSDBLTNSNGLU-UHFFFAOYSA-N 0 0 429.574 5.873 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccccc2-c2csc(Nc3ccccc3Cl)n2)cc1 ZINC000108972452 569253267 /nfs/dbraw/zinc/25/32/67/569253267.db2.gz NDQFDOGKMKIWDR-UHFFFAOYSA-N 0 0 437.908 6.694 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccccc1Cl ZINC000214122916 569264039 /nfs/dbraw/zinc/26/40/39/569264039.db2.gz GMBJADGLTFIZNA-YBFXNURJSA-N 0 0 440.864 5.745 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1[N+](=O)[O-] ZINC000214333846 569283523 /nfs/dbraw/zinc/28/35/23/569283523.db2.gz HMQSFWBTNZWDHV-RGVLZGJSSA-N 0 0 438.436 5.539 40 5 IKBBRN COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000214434000 569284849 /nfs/dbraw/zinc/28/48/49/569284849.db2.gz QQMWUPDOBXKZSO-FRKPEAEDSA-N 0 0 439.276 5.147 40 5 IKBBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C ZINC000215251494 569289526 /nfs/dbraw/zinc/28/95/26/569289526.db2.gz CHCZXYDEZUAUBU-UDWIEESQSA-N 0 0 442.493 5.017 40 5 IKBBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)o2)cc1 ZINC000215253664 569290125 /nfs/dbraw/zinc/29/01/25/569290125.db2.gz NYXXQKODDBWZQR-CIAFOILYSA-N 0 0 448.456 5.294 40 5 IKBBRN O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)CC[C@@H]2c1ccccc1 ZINC000008826679 569290940 /nfs/dbraw/zinc/29/09/40/569290940.db2.gz PZRRIJLHRFAQDB-MOUTVQLLSA-N 0 0 426.472 5.062 40 5 IKBBRN O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000008831831 569291019 /nfs/dbraw/zinc/29/10/19/569291019.db2.gz ZQZNUEZHUZVCHB-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1OC ZINC000008832062 569291064 /nfs/dbraw/zinc/29/10/64/569291064.db2.gz XPYKXVHNXKTAPP-XBXARRHUSA-N 0 0 445.884 5.041 40 5 IKBBRN CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)sc2c1 ZINC000008903194 569292155 /nfs/dbraw/zinc/29/21/55/569292155.db2.gz ZPHMMNQSVAWEKS-UHFFFAOYSA-N 0 0 433.873 5.067 40 5 IKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc1 ZINC000008903041 569292159 /nfs/dbraw/zinc/29/21/59/569292159.db2.gz CIQSVBJQRWNZNT-UHFFFAOYSA-N 0 0 431.448 5.544 40 5 IKBBRN CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000009064644 569293291 /nfs/dbraw/zinc/29/32/91/569293291.db2.gz NGHGOFKRACKFPD-INIZCTEOSA-N 0 0 440.569 5.225 40 5 IKBBRN O=c1nc2scc(CSc3ccc([N+](=O)[O-])cc3)n2c2sc3c(c21)CCCC3 ZINC000027750550 569296472 /nfs/dbraw/zinc/29/64/72/569296472.db2.gz KWLCHWOURVNACV-UHFFFAOYSA-N 0 0 429.548 5.050 40 5 IKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)oc2cc1C ZINC000010120367 569299381 /nfs/dbraw/zinc/29/93/81/569299381.db2.gz AHJSWTBTBQCDQX-UHFFFAOYSA-N 0 0 435.867 5.603 40 5 IKBBRN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372892 569299885 /nfs/dbraw/zinc/29/98/85/569299885.db2.gz QVXATEMOVJXDAP-UHFFFAOYSA-N 0 0 441.491 5.088 40 5 IKBBRN O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372863 569299901 /nfs/dbraw/zinc/29/99/01/569299901.db2.gz GSVNZWTWZZZRDC-UHFFFAOYSA-N 0 0 447.457 5.664 40 5 IKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc(C)c1OCc1ccccc1 ZINC000225508355 569304961 /nfs/dbraw/zinc/30/49/61/569304961.db2.gz UYFYHMDMVZQILK-UHFFFAOYSA-N 0 0 444.531 6.241 40 5 IKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1OCc1ccccc1 ZINC000225507954 569304984 /nfs/dbraw/zinc/30/49/84/569304984.db2.gz RACOMEDLWTVQKK-UHFFFAOYSA-N 0 0 430.504 5.933 40 5 IKBBRN O=c1c2cc([N+](=O)[O-])ccc2nc(Cc2ccccc2)n1Cc1ccccc1-c1ccccc1 ZINC000013028218 569307233 /nfs/dbraw/zinc/30/72/33/569307233.db2.gz DEALORBJGUBCOC-UHFFFAOYSA-N 0 0 447.494 5.611 40 5 IKBBRN O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000013370716 569314359 /nfs/dbraw/zinc/31/43/59/569314359.db2.gz ZMCUMYHYPJPARY-UHFFFAOYSA-N 0 0 440.253 5.232 40 5 IKBBRN O=[N+]([O-])c1ccc(Cl)cc1Nc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000329062422 569322954 /nfs/dbraw/zinc/32/29/54/569322954.db2.gz WYAKVPPXRASDKY-UHFFFAOYSA-N 0 0 429.185 5.543 40 5 IKBBRN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000019635862 569324001 /nfs/dbraw/zinc/32/40/01/569324001.db2.gz KLAQUXUJMNWWKU-UHFFFAOYSA-N 0 0 442.475 5.564 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000019643272 569324930 /nfs/dbraw/zinc/32/49/30/569324930.db2.gz VDVYTHSDPIFYAT-MRXNPFEDSA-N 0 0 445.475 5.934 40 5 IKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000019637922 569324942 /nfs/dbraw/zinc/32/49/42/569324942.db2.gz ARGNOZBZSJRIMV-JXMROGBWSA-N 0 0 443.459 5.680 40 5 IKBBRN COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000019645814 569325056 /nfs/dbraw/zinc/32/50/56/569325056.db2.gz ANWFMRPKRFZJHM-UHFFFAOYSA-N 0 0 447.447 5.289 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2-c2ccc(C)c(C)c2)cc1 ZINC000019894499 569331635 /nfs/dbraw/zinc/33/16/35/569331635.db2.gz BMBJUECFWQIWSF-UHFFFAOYSA-N 0 0 443.528 6.563 40 5 IKBBRN COc1ccc(-c2nc(NC(=O)c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1 ZINC000019894507 569331664 /nfs/dbraw/zinc/33/16/64/569331664.db2.gz RECRSURBRGASIY-UHFFFAOYSA-N 0 0 431.473 5.646 40 5 IKBBRN COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)c([N+](=O)[O-])c1 ZINC000020140693 569335819 /nfs/dbraw/zinc/33/58/19/569335819.db2.gz MSRGKLXDVSGBDR-UHFFFAOYSA-N 0 0 448.431 5.176 40 5 IKBBRN Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1-c1ccc(CO)o1 ZINC000020145350 569335983 /nfs/dbraw/zinc/33/59/83/569335983.db2.gz JIGDDDMEJKLOME-UKTHLTGXSA-N 0 0 444.443 5.567 40 5 IKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020139624 569335999 /nfs/dbraw/zinc/33/59/99/569335999.db2.gz PXGFTCOVTPGAGJ-UHFFFAOYSA-N 0 0 442.880 5.776 40 5 IKBBRN Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000020142652 569336005 /nfs/dbraw/zinc/33/60/05/569336005.db2.gz NGBLXAWKNFBQJP-UHFFFAOYSA-N 0 0 449.507 5.144 40 5 IKBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140460 569336124 /nfs/dbraw/zinc/33/61/24/569336124.db2.gz ZZUFXMUPHWHORA-UHFFFAOYSA-N 0 0 438.823 5.513 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)nc2c1 ZINC000020342401 569360936 /nfs/dbraw/zinc/36/09/36/569360936.db2.gz CZYSJOISILZJAN-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021577942 569390084 /nfs/dbraw/zinc/39/00/84/569390084.db2.gz DKCHBSQLUPLPGE-UHFFFAOYSA-N 0 0 433.892 5.845 40 5 IKBBRN C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000021595347 569391882 /nfs/dbraw/zinc/39/18/82/569391882.db2.gz AVHCHBOEIVSDJJ-ZWFBASDOSA-N 0 0 431.492 5.886 40 5 IKBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c2ccccc12 ZINC000225677918 569393855 /nfs/dbraw/zinc/39/38/55/569393855.db2.gz LHOAZPKNMYCWIK-UHFFFAOYSA-N 0 0 432.520 6.233 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)nc2c1 ZINC000022529012 569403420 /nfs/dbraw/zinc/40/34/20/569403420.db2.gz MHZMVUWYKGEMTL-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN O=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000225537462 569403717 /nfs/dbraw/zinc/40/37/17/569403717.db2.gz NOKAQCCUMOEUMK-KGENOOAVSA-N 0 0 426.394 5.471 40 5 IKBBRN CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1C(F)(F)F ZINC000225756720 569408093 /nfs/dbraw/zinc/40/80/93/569408093.db2.gz FPBXZSHIYXIMIA-UHFFFAOYSA-N 0 0 436.430 5.853 40 5 IKBBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771606 569408440 /nfs/dbraw/zinc/40/84/40/569408440.db2.gz VQQMQLYCQZJDBM-SFHVURJKSA-N 0 0 448.519 5.612 40 5 IKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2ccccc12 ZINC000225771561 569408453 /nfs/dbraw/zinc/40/84/53/569408453.db2.gz OIRLSFKKLWJGSC-UHFFFAOYSA-N 0 0 448.519 5.614 40 5 IKBBRN CC(C)COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 ZINC000225866228 569409450 /nfs/dbraw/zinc/40/94/50/569409450.db2.gz PCLFVEOYCOJWBZ-UHFFFAOYSA-N 0 0 447.535 6.018 40 5 IKBBRN COc1c(Br)cc(Br)cc1-c1nc2cc([N+](=O)[O-])cc(C)c2o1 ZINC000226237595 569416588 /nfs/dbraw/zinc/41/65/88/569416588.db2.gz LSJATMYNLFEJFD-UHFFFAOYSA-N 0 0 442.063 5.245 40 5 IKBBRN COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c2ccccc21 ZINC000226767465 569429316 /nfs/dbraw/zinc/42/93/16/569429316.db2.gz FTUCHDUQAKNIGC-UHFFFAOYSA-N 0 0 438.823 5.246 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000057313377 569430687 /nfs/dbraw/zinc/43/06/87/569430687.db2.gz KJQMERWZFTYHGJ-UHFFFAOYSA-N 0 0 426.237 5.585 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1c2nsnc2ccc1Cl ZINC000057315783 569430694 /nfs/dbraw/zinc/43/06/94/569430694.db2.gz RFAYNXCLGCAZFR-UXBLZVDNSA-N 0 0 426.841 5.165 40 5 IKBBRN CC1CCN(c2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)cc2[N+](=O)[O-])CC1 ZINC000057315897 569430738 /nfs/dbraw/zinc/43/07/38/569430738.db2.gz SBVPKEOUSHMSLL-UHFFFAOYSA-N 0 0 430.917 5.347 40 5 IKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000057316997 569430773 /nfs/dbraw/zinc/43/07/73/569430773.db2.gz RZRCLKFGOPMOID-UHFFFAOYSA-N 0 0 435.661 5.201 40 5 IKBBRN Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3c4ccccc4cc4ccccc43)C2)c(=O)o1 ZINC000227173219 569431700 /nfs/dbraw/zinc/43/17/00/569431700.db2.gz CBFKYFUNUOZLOG-XMMPIXPASA-N 0 0 446.506 6.638 40 5 IKBBRN Cc1cccc2oc(-c3ccc(C)c(NC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)c3)nc21 ZINC000003208205 569441673 /nfs/dbraw/zinc/44/16/73/569441673.db2.gz FTPCZSGDXHNSKA-UHFFFAOYSA-N 0 0 432.392 5.180 40 5 IKBBRN O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000003769216 569456428 /nfs/dbraw/zinc/45/64/28/569456428.db2.gz VDRXLUPUFVGVNN-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc2[N+](=O)[O-])cc1 ZINC000032125012 569460353 /nfs/dbraw/zinc/46/03/53/569460353.db2.gz GJEGFMXFMMAWND-KGENOOAVSA-N 0 0 448.525 6.295 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1nc2c(ccc(Cl)c2Cl)s1 ZINC000032126519 569460355 /nfs/dbraw/zinc/46/03/55/569460355.db2.gz CGGQKWZWVQGMJB-QHHAFSJGSA-N 0 0 428.684 5.817 40 5 IKBBRN O=C(Nc1nc2c(ccc(Cl)c2Cl)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000032127630 569460392 /nfs/dbraw/zinc/46/03/92/569460392.db2.gz PMLSBEYGPUYNJI-UHFFFAOYSA-N 0 0 434.260 6.024 40 5 IKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)cc2[N+](=O)[O-])CC1 ZINC000059294051 569460843 /nfs/dbraw/zinc/46/08/43/569460843.db2.gz MHKWLGJFACSSRQ-UHFFFAOYSA-N 0 0 427.504 5.655 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000059294131 569460878 /nfs/dbraw/zinc/46/08/78/569460878.db2.gz XPCQMGXWXYGCKB-VQHVLOKHSA-N 0 0 427.800 5.377 40 5 IKBBRN CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 ZINC000059294083 569460885 /nfs/dbraw/zinc/46/08/85/569460885.db2.gz XBEOHEYGBSXURE-FYWRMAATSA-N 0 0 434.448 5.464 40 5 IKBBRN O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000059417219 569461307 /nfs/dbraw/zinc/46/13/07/569461307.db2.gz SOMOGQMJFKOBOS-UHFFFAOYSA-N 0 0 436.773 6.312 40 5 IKBBRN Cc1cccc2c1N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000059428145 569461333 /nfs/dbraw/zinc/46/13/33/569461333.db2.gz WEOCIIHCJBMKRA-UHFFFAOYSA-N 0 0 442.587 6.247 40 5 IKBBRN Cc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)C[C@H]2C)c(-c2ccccc2)o1 ZINC000059432073 569461405 /nfs/dbraw/zinc/46/14/05/569461405.db2.gz MMWBHLIHBIWZSW-OAHLLOKOSA-N 0 0 439.899 5.168 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463597 569461465 /nfs/dbraw/zinc/46/14/65/569461465.db2.gz MILORNPBXZIQCI-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463594 569461473 /nfs/dbraw/zinc/46/14/73/569461473.db2.gz KFGRJOKRWQJSDQ-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463599 569461484 /nfs/dbraw/zinc/46/14/84/569461484.db2.gz BXYIWTARMXUXKX-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN Cn1c(Cc2cccc3ccccc32)nnc1SCc1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000059474752 569461522 /nfs/dbraw/zinc/46/15/22/569461522.db2.gz KCYJQDQIZFGQOX-UHFFFAOYSA-N 0 0 429.505 5.241 40 5 IKBBRN O=C1N[C@@H](c2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000059488535 569461577 /nfs/dbraw/zinc/46/15/77/569461577.db2.gz ZKKWCFGZYFXVHB-QFIPXVFZSA-N 0 0 428.473 5.148 40 5 IKBBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccccc1 ZINC000059489909 569461597 /nfs/dbraw/zinc/46/15/97/569461597.db2.gz MHFZSPHYCGNPJM-VWLOTQADSA-N 0 0 425.573 5.634 40 5 IKBBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccc(Cl)cc1 ZINC000059490035 569461612 /nfs/dbraw/zinc/46/16/12/569461612.db2.gz VIDVLQXJVHJTQA-GBXCKJPGSA-N 0 0 443.975 5.938 40 5 IKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)sc2c1 ZINC000032118601 569583627 /nfs/dbraw/zinc/58/36/27/569583627.db2.gz OSYWRLCXBLCLAL-UHFFFAOYSA-N 0 0 448.957 5.327 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000408613076 193979285 /nfs/dbraw/zinc/97/92/85/193979285.db2.gz XGRXNTZXSGPUAX-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000408613055 193979480 /nfs/dbraw/zinc/97/94/80/193979480.db2.gz XADBNDSDVRMXOB-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408613572 193979695 /nfs/dbraw/zinc/97/96/95/193979695.db2.gz YDWNXCIBJZGCAA-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3n2)cc1 ZINC000020610551 519834174 /nfs/dbraw/zinc/83/41/74/519834174.db2.gz YVFKCGFGLXOIPJ-UHFFFAOYSA-N 0 0 435.871 5.358 40 5 IKBBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c(nc3ccccc32)N1 ZINC000020969982 520803882 /nfs/dbraw/zinc/80/38/82/520803882.db2.gz YVGKLCRKQPKXKL-JOCHJYFZSA-N 0 0 443.438 5.011 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610817 522044349 /nfs/dbraw/zinc/04/43/49/522044349.db2.gz OGRXMUJUJGJRJO-HNNXBMFYSA-N 0 0 445.475 6.177 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nc2c1 ZINC000016610853 522432163 /nfs/dbraw/zinc/43/21/63/522432163.db2.gz SQQXSRGYNSEFFC-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN CCc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 ZINC000012486048 524058993 /nfs/dbraw/zinc/05/89/93/524058993.db2.gz FZFMGLGCNCDPGS-UHFFFAOYSA-N 0 0 426.520 5.889 40 5 IKBBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000020797372 525021891 /nfs/dbraw/zinc/02/18/91/525021891.db2.gz XEVTXUWZEFGNFU-HSZRJFAPSA-N 0 0 439.475 5.181 40 5 IKBBRN Cc1cc2sc(NC(=O)c3cc([N+](=O)[O-])ccc3Br)nc2cc1Cl ZINC000016284218 525700493 /nfs/dbraw/zinc/70/04/93/525700493.db2.gz UYCFRKNTXQZHPJ-UHFFFAOYSA-N 0 0 426.679 5.181 40 5 IKBBRN Cc1ccc([C@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2)cc1 ZINC000020482666 525963772 /nfs/dbraw/zinc/96/37/72/525963772.db2.gz VHKIPLDPHDDEDJ-PCOPNOGXSA-N 0 0 448.522 6.350 40 5 IKBBRN O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020806055 527305149 /nfs/dbraw/zinc/30/51/49/527305149.db2.gz BHFLGQGLJZGCFX-UHFFFAOYSA-N 0 0 443.390 6.054 40 5 IKBBRN O=c1c2ccccc2c2ccccc2c(=O)n1-c1cc2c3ccccc3ccc2c2ccccc21 ZINC000001717025 555710639 /nfs/dbraw/zinc/71/06/39/555710639.db2.gz SQTNIIDYSRRCTE-UHFFFAOYSA-N 0 0 449.509 6.964 40 5 in-vitro IKBBRN CC1CCN(C(=S)c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)CC1 ZINC000035108497 555778082 /nfs/dbraw/zinc/77/80/82/555778082.db2.gz DZBVNZBYBFVXKT-UHFFFAOYSA-N 0 0 449.370 5.344 40 5 IKBBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2cccc([N+](=O)[O-])c2)c1 ZINC000408553539 555869638 /nfs/dbraw/zinc/86/96/38/555869638.db2.gz AFYCXXIDIYRBKA-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 ZINC000408557812 555895946 /nfs/dbraw/zinc/89/59/46/555895946.db2.gz QBZYTEZANOEJFD-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=C(COc1ccc(Cl)cc1CNc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000408608067 555978858 /nfs/dbraw/zinc/97/88/58/555978858.db2.gz MMEPFIFICXNMBA-UHFFFAOYSA-N 0 0 446.290 5.531 40 5 IKBBRN COc1ccc(NC(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000035203362 555999379 /nfs/dbraw/zinc/99/93/79/555999379.db2.gz NMVFMDPESTWUMR-UHFFFAOYSA-N 0 0 431.455 5.140 40 5 IKBBRN COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1 ZINC000035352239 556080974 /nfs/dbraw/zinc/08/09/74/556080974.db2.gz QPWKUYNPJXZQJP-HJWRWDBZSA-N 0 0 445.269 5.412 40 5 IKBBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)o2)cc1 ZINC000408916485 556499335 /nfs/dbraw/zinc/49/93/35/556499335.db2.gz DEQZINBMQUEUET-CIAFOILYSA-N 0 0 448.456 5.294 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(Cl)cc2)cc1 ZINC000408695067 556615692 /nfs/dbraw/zinc/61/56/92/556615692.db2.gz OMXAYTKUARGMGD-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)c(Cl)c2)cc1 ZINC000408694663 556615765 /nfs/dbraw/zinc/61/57/65/556615765.db2.gz LNENXUROCKIIHM-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)C1=O ZINC000409056267 556629300 /nfs/dbraw/zinc/62/93/00/556629300.db2.gz GMSMAKKYFFRGDW-UNOMPAQXSA-N 0 0 446.912 5.664 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C\c2ccc(Cl)cc2)cc1/C=C\c1ccc(Cl)cc1 ZINC000005080544 556631690 /nfs/dbraw/zinc/63/16/90/556631690.db2.gz DQXLCWYBKTXKQI-NDBDHSCESA-N 0 0 441.270 7.151 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409179634 556632478 /nfs/dbraw/zinc/63/24/78/556632478.db2.gz QUXSLADHOPEXBU-FQEVSTJZSA-N 0 0 430.243 5.683 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409177733 556632787 /nfs/dbraw/zinc/63/27/87/556632787.db2.gz GRUYDDIGNLSAMH-UHFFFAOYSA-N 0 0 432.476 5.502 40 5 IKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1cc(Br)ccc1O ZINC000409178300 556632882 /nfs/dbraw/zinc/63/28/82/556632882.db2.gz GKIYYELFYNLSRK-UHFFFAOYSA-N 0 0 444.237 5.212 40 5 IKBBRN Cc1ccc(-c2ccc(C=C3SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409220351 556634943 /nfs/dbraw/zinc/63/49/43/556634943.db2.gz XPEONJQRROEQTQ-CIAFOILYSA-N 0 0 448.456 5.082 40 5 IKBBRN Cc1cccc(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)c1 ZINC000040398724 556640595 /nfs/dbraw/zinc/64/05/95/556640595.db2.gz TZPSJHDAECPNTK-UHFFFAOYSA-N 0 0 448.309 5.305 40 5 IKBBRN O=c1c2cc3c(ccn(-c4cc(Cl)cc(Cl)c4)c3=O)nc2ccn1Cc1ccccc1 ZINC000040398707 556640632 /nfs/dbraw/zinc/64/06/32/556640632.db2.gz GPWYRXFPEKYATO-UHFFFAOYSA-N 0 0 448.309 5.056 40 5 IKBBRN O=c1c2ccccc2nc(/C=C/c2cccc([N+](=O)[O-])c2)n1-c1ccccc1C(F)(F)F ZINC000013550419 556696799 /nfs/dbraw/zinc/69/67/99/556696799.db2.gz UUSANRWUJCUWDD-OUKQBFOZSA-N 0 0 437.377 5.483 40 5 IKBBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c3ccccc3cc3ccccc31)N2 ZINC000408992679 556708902 /nfs/dbraw/zinc/70/89/02/556708902.db2.gz AWJQBXWGKHPFBG-BOACMQGQSA-N 0 0 442.518 7.372 40 5 IKBBRN O=C(NCc1ccc2c(c1)OCO2)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000408993476 556709316 /nfs/dbraw/zinc/70/93/16/556709316.db2.gz DHCFUCHLWODBRN-UHFFFAOYSA-N 0 0 428.473 5.048 40 5 IKBBRN COc1cc2nc3ccc(NC(=S)NC(C)(C)CC(C)(C)C)cc3nc2cc1OC ZINC000408993327 556709350 /nfs/dbraw/zinc/70/93/50/556709350.db2.gz DHGQDPCQTYUYIY-UHFFFAOYSA-N 0 0 426.586 5.301 40 5 IKBBRN CCCN(Cc1ccccc1)C(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 ZINC000409000039 556710359 /nfs/dbraw/zinc/71/03/59/556710359.db2.gz MGASSSRHCWRAKI-UHFFFAOYSA-N 0 0 446.576 5.409 40 5 IKBBRN O=C(Nc1ccccc1)c1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)c2c1 ZINC000409022379 556724295 /nfs/dbraw/zinc/72/42/95/556724295.db2.gz MGMLINXLEYSRAC-UHFFFAOYSA-N 0 0 445.478 6.729 40 5 IKBBRN Cc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000409051787 556757166 /nfs/dbraw/zinc/75/71/66/556757166.db2.gz CQWPFSOJQLEBQB-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NCc1cccs1 ZINC000001327835 556773376 /nfs/dbraw/zinc/77/33/76/556773376.db2.gz TYGMPJUBQXJBLG-UHFFFAOYSA-N 0 0 436.587 5.171 40 5 IKBBRN Cc1cc(C)c2nc3sc4c(ncnc4S[C@H]4Cc5ccccc5C4=O)c3cc2c1 ZINC000001327871 556773397 /nfs/dbraw/zinc/77/33/97/556773397.db2.gz FIXNXCOIKCHNOG-SFHVURJKSA-N 0 0 427.554 5.909 40 5 IKBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)N1CCCc2ccccc21 ZINC000001327827 556773436 /nfs/dbraw/zinc/77/34/36/556773436.db2.gz UXDXKUQDMYHGSA-UHFFFAOYSA-N 0 0 442.569 5.464 40 5 IKBBRN Cc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000409104240 556797488 /nfs/dbraw/zinc/79/74/88/556797488.db2.gz CBFFJIYURXFAHN-UHFFFAOYSA-N 0 0 436.924 6.097 40 5 IKBBRN CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409110290 556800568 /nfs/dbraw/zinc/80/05/68/556800568.db2.gz BASNGCHOWRHABM-UHFFFAOYSA-N 0 0 442.899 5.847 40 5 IKBBRN CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409111591 556801835 /nfs/dbraw/zinc/80/18/35/556801835.db2.gz CXHXAXHBBJALDH-UHFFFAOYSA-N 0 0 440.927 6.455 40 5 IKBBRN CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409114378 556804610 /nfs/dbraw/zinc/80/46/10/556804610.db2.gz JIGFSSQRFKDRDA-UHFFFAOYSA-N 0 0 426.900 6.146 40 5 IKBBRN O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000409114580 556804682 /nfs/dbraw/zinc/80/46/82/556804682.db2.gz KIEOUEIZLFBXHF-UHFFFAOYSA-N 0 0 430.445 5.778 40 5 IKBBRN CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115751 556807365 /nfs/dbraw/zinc/80/73/65/556807365.db2.gz GZYGNPAXOVSPPH-UHFFFAOYSA-N 0 0 441.325 6.111 40 5 IKBBRN Cc1ccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409117112 556809470 /nfs/dbraw/zinc/80/94/70/556809470.db2.gz KRQGTCCEXWBWMW-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN CC(C)Cn1c(Cc2ccccc2)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409117253 556809830 /nfs/dbraw/zinc/80/98/30/556809830.db2.gz NZUUHKPHDNEGMS-UHFFFAOYSA-N 0 0 436.459 5.603 40 5 IKBBRN CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409119004 556812300 /nfs/dbraw/zinc/81/23/00/556812300.db2.gz PFXFVJNNNVZQET-UHFFFAOYSA-N 0 0 431.319 6.655 40 5 IKBBRN CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409121132 556815049 /nfs/dbraw/zinc/81/50/49/556815049.db2.gz YOABWZNHSODVFU-UHFFFAOYSA-N 0 0 440.927 6.400 40 5 IKBBRN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000005542301 556823068 /nfs/dbraw/zinc/82/30/68/556823068.db2.gz HTXSNCDQUOKHEB-NRFANRHFSA-N 0 0 437.546 5.376 40 5 IKBBRN O=[N+]([O-])c1ccc(Nc2cccc3c4ccnc(-c5ccccc5)c4[nH]c32)c([N+](=O)[O-])c1 ZINC000005615727 556832689 /nfs/dbraw/zinc/83/26/89/556832689.db2.gz WYNMZEUJBBVCHQ-UHFFFAOYSA-N 0 0 425.404 5.943 40 5 IKBBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 ZINC000409129050 556840082 /nfs/dbraw/zinc/84/00/82/556840082.db2.gz JVRXGJFQSWHSCD-UDWIEESQSA-N 0 0 442.493 5.480 40 5 IKBBRN C(=C\c1ccc2ccc3ccc4ccccc4c3c2c1)\c1ccc2ccc3ccccc3c2c1 ZINC000068569433 556848768 /nfs/dbraw/zinc/84/87/68/556848768.db2.gz JACJQFMSFDADPR-KTKRTIGZSA-N 0 0 430.550 9.623 40 5 IKBBRN Brc1ccc(/C=C\c2ccc3ccc4ccc(Br)cc4c3c2)cc1 ZINC000068569300 556848823 /nfs/dbraw/zinc/84/88/23/556848823.db2.gz ADIWSIXCLUZBGI-UPHRSURJSA-N 0 0 438.162 7.688 40 5 IKBBRN COc1ccc(-c2sc(NC(=O)c3cccnc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408823607 556865655 /nfs/dbraw/zinc/86/56/55/556865655.db2.gz NZPNAWQMLAQVBP-UHFFFAOYSA-N 0 0 432.461 5.041 40 5 IKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(Cl)cc3)s2)c1 ZINC000408825300 556866663 /nfs/dbraw/zinc/86/66/63/556866663.db2.gz ICQJENZVMIEBQK-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN Cc1cccc(CSCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000408922085 556891279 /nfs/dbraw/zinc/89/12/79/556891279.db2.gz DXUUZJOPRSCUMT-JJIBRWJFSA-N 0 0 432.545 5.493 40 5 IKBBRN COc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4[N+](=O)[O-])C(=O)O3)sc2c1Cl ZINC000408969151 556904015 /nfs/dbraw/zinc/90/40/15/556904015.db2.gz ICDJIPOAMNQCOI-FLIBITNWSA-N 0 0 449.271 5.469 40 5 IKBBRN COc1ccc(N(C)C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1 ZINC000408975696 556905956 /nfs/dbraw/zinc/90/59/56/556905956.db2.gz LTNNTTGUMGALEX-UHFFFAOYSA-N 0 0 430.558 5.840 40 5 IKBBRN CN(C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 ZINC000408977738 556906892 /nfs/dbraw/zinc/90/68/92/556906892.db2.gz XIQLHQPUIBGJLD-UHFFFAOYSA-N 0 0 446.539 5.713 40 5 IKBBRN COc1ccc(NC(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1 ZINC000408977925 556907049 /nfs/dbraw/zinc/90/70/49/556907049.db2.gz ZPCAQSGBPPYLOK-UHFFFAOYSA-N 0 0 431.455 5.140 40 5 IKBBRN O=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CCN(c2ccccc2)CC1 ZINC000408992396 556911904 /nfs/dbraw/zinc/91/19/04/556911904.db2.gz AZRCEQJIPJTJPS-UHFFFAOYSA-N 0 0 439.544 5.352 40 5 IKBBRN S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)Nc1cccc2ccccc21 ZINC000408996391 556912498 /nfs/dbraw/zinc/91/24/98/556912498.db2.gz DJOGHDITDRIQMD-UHFFFAOYSA-N 0 0 438.512 5.516 40 5 IKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O ZINC000409011157 556918154 /nfs/dbraw/zinc/91/81/54/556918154.db2.gz MMLYXBOWWAOHRG-PVGUKEHMSA-N 0 0 442.493 5.017 40 5 IKBBRN CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O ZINC000409021148 556922000 /nfs/dbraw/zinc/92/20/00/556922000.db2.gz YICKYYYJNULQKI-NNLQFVHNSA-N 0 0 443.437 5.130 40 5 IKBBRN O=C1Nc2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000409089663 556951368 /nfs/dbraw/zinc/95/13/68/556951368.db2.gz OOKXNPMBMOBZCV-ZDLGFXPLSA-N 0 0 443.278 5.703 40 5 IKBBRN CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 ZINC000409102791 556956613 /nfs/dbraw/zinc/95/66/13/556956613.db2.gz UCRAONSPWLBATO-UHFFFAOYSA-N 0 0 428.823 5.697 40 5 IKBBRN COc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409110018 556957390 /nfs/dbraw/zinc/95/73/90/556957390.db2.gz PNVXRNKANGZWSU-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 ZINC000409117417 556960241 /nfs/dbraw/zinc/96/02/41/556960241.db2.gz XWJHDAOJASLMTO-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN Cc1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)c([N+](=O)[O-])cc1C ZINC000409171775 556984123 /nfs/dbraw/zinc/98/41/23/556984123.db2.gz GSWUJBYIENWTFL-MTJSOVHGSA-N 0 0 434.473 5.708 40 5 IKBBRN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000409178698 556987039 /nfs/dbraw/zinc/98/70/39/556987039.db2.gz MSZRPULEAMYHTK-UHFFFAOYSA-N 0 0 442.265 5.293 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000409179358 556987592 /nfs/dbraw/zinc/98/75/92/556987592.db2.gz QQMMIHVXXQCPOR-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN COc1cc(CNc2ccccc2Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409180753 556989114 /nfs/dbraw/zinc/98/91/14/556989114.db2.gz ZTNHPHWGGIGJKQ-UHFFFAOYSA-N 0 0 429.816 5.569 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409182495 556989973 /nfs/dbraw/zinc/98/99/73/556989973.db2.gz LXUAJHVGOLDJGE-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 ZINC000409192539 556992447 /nfs/dbraw/zinc/99/24/47/556992447.db2.gz YOMKYMIAOMUYFM-UHFFFAOYSA-N 0 0 441.306 6.213 40 5 IKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409176509 556995102 /nfs/dbraw/zinc/99/51/02/556995102.db2.gz POXLKKNOWAWXMV-MHZLTWQESA-N 0 0 449.510 6.269 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 ZINC000409178534 556996124 /nfs/dbraw/zinc/99/61/24/556996124.db2.gz KUOVJPWKXFLUGD-FQEVSTJZSA-N 0 0 440.249 5.138 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 ZINC000409209134 556998308 /nfs/dbraw/zinc/99/83/08/556998308.db2.gz FZJVXWREFQZBFV-YBFXNURJSA-N 0 0 440.864 6.058 40 5 IKBBRN O=C(OCc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1-c1ccccc1 ZINC000409180010 556998803 /nfs/dbraw/zinc/99/88/03/556998803.db2.gz UDTHRLNAYDHDRP-UHFFFAOYSA-N 0 0 425.440 6.411 40 5 IKBBRN Cc1ccc(NC(=O)CCC(=O)OCc2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000409182304 557002712 /nfs/dbraw/zinc/00/27/12/557002712.db2.gz KHDNHAPYHSZNOE-UHFFFAOYSA-N 0 0 434.448 5.158 40 5 IKBBRN CCCCOc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409184269 557004711 /nfs/dbraw/zinc/00/47/11/557004711.db2.gz WPKVZQDCZAROKZ-DEOSSOPVSA-N 0 0 433.460 5.555 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1[N+](=O)[O-] ZINC000409190505 557009503 /nfs/dbraw/zinc/00/95/03/557009503.db2.gz OVYQQEHHGXHOIS-YBFXNURJSA-N 0 0 440.864 6.058 40 5 IKBBRN Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000409196652 557010880 /nfs/dbraw/zinc/01/08/80/557010880.db2.gz QUORWUROAVCDDE-BZZOAKBMSA-N 0 0 449.919 5.723 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409203622 557014936 /nfs/dbraw/zinc/01/49/36/557014936.db2.gz ZKGPRKHBBRMDBF-KGENOOAVSA-N 0 0 434.473 5.442 40 5 IKBBRN CCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O ZINC000409242755 557032570 /nfs/dbraw/zinc/03/25/70/557032570.db2.gz YELNHAJSWDXHPI-DHDCSXOGSA-N 0 0 437.271 5.064 40 5 IKBBRN Cc1noc(/C=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000408544925 557034566 /nfs/dbraw/zinc/03/45/66/557034566.db2.gz WCJFHRCQDFMMDE-ALCCZGGFSA-N 0 0 435.314 5.781 40 5 IKBBRN COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408552193 557036579 /nfs/dbraw/zinc/03/65/79/557036579.db2.gz HYOKBJUSGDVTFY-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408554313 557036689 /nfs/dbraw/zinc/03/66/89/557036689.db2.gz CHOVUNBSJLAYQZ-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1Cl ZINC000408556565 557037244 /nfs/dbraw/zinc/03/72/44/557037244.db2.gz JNYISOHSBPWFSG-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 ZINC000408555778 557037345 /nfs/dbraw/zinc/03/73/45/557037345.db2.gz IIYBVQFZTATNMG-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN COc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000408559813 557037348 /nfs/dbraw/zinc/03/73/48/557037348.db2.gz WRCLRKDZHUKONI-UHFFFAOYSA-N 0 0 448.906 6.601 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000408557512 557037898 /nfs/dbraw/zinc/03/78/98/557037898.db2.gz OHKKQGFBAFXWPP-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN O=C(COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000408558573 557038264 /nfs/dbraw/zinc/03/82/64/557038264.db2.gz RUCCYLHVIXQKCH-UHFFFAOYSA-N 0 0 446.290 5.531 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408560202 557039358 /nfs/dbraw/zinc/03/93/58/557039358.db2.gz CNLCOSNTQOPGBI-VHXPQNKSSA-N 0 0 439.537 5.074 40 5 IKBBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(Cl)cc1 ZINC000408565259 557041616 /nfs/dbraw/zinc/04/16/16/557041616.db2.gz BLQBLNJFVPPDPE-OAQYLSRUSA-N 0 0 436.895 5.818 40 5 IKBBRN Cc1nnc(S[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2Cl)n1-c1ccc(C)c(C)c1 ZINC000408569063 557041742 /nfs/dbraw/zinc/04/17/42/557041742.db2.gz INYROHGRBDUIMY-GOSISDBHSA-N 0 0 437.352 5.609 40 5 IKBBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccc(F)cc1 ZINC000408570372 557041918 /nfs/dbraw/zinc/04/19/18/557041918.db2.gz LELZVDUDEJJRAJ-QFIPXVFZSA-N 0 0 434.467 5.693 40 5 IKBBRN COC(=O)c1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)ccc1Cl ZINC000409272396 557043349 /nfs/dbraw/zinc/04/33/49/557043349.db2.gz PXUQEJFASPKJHO-CPNJWEJPSA-N 0 0 436.851 5.214 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1C(F)(F)F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408578087 557043919 /nfs/dbraw/zinc/04/39/19/557043919.db2.gz SROSWFJJDGFRSK-LDADJPATSA-N 0 0 446.812 6.446 40 5 IKBBRN O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(Br)ccc1OCc1ccccc1 ZINC000408586469 557045902 /nfs/dbraw/zinc/04/59/02/557045902.db2.gz NBNMKJQCJXZDIK-UHFFFAOYSA-N 0 0 427.254 5.189 40 5 IKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 ZINC000409329575 557063798 /nfs/dbraw/zinc/06/37/98/557063798.db2.gz GEIMGDUFXCIDMR-AREMUKBSSA-N 0 0 435.483 5.961 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000408611422 557066288 /nfs/dbraw/zinc/06/62/88/557066288.db2.gz SBXDSTXSJREBIV-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408604937 557069102 /nfs/dbraw/zinc/06/91/02/557069102.db2.gz FXPAVXOYZQLBQZ-UHFFFAOYSA-N 0 0 430.863 5.977 40 5 IKBBRN Cc1ccc(NC(=O)COc2cccc(CNc3ccc([N+](=O)[O-])cc3)c2)cc1Cl ZINC000408607234 557069833 /nfs/dbraw/zinc/06/98/33/557069833.db2.gz KCSSUFUQNQWLGV-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc([N+](=O)[O-])cc2)c1 ZINC000408609158 557070466 /nfs/dbraw/zinc/07/04/66/557070466.db2.gz OJTSJICUHWUMLB-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)cc1 ZINC000408622557 557070999 /nfs/dbraw/zinc/07/09/99/557070999.db2.gz RBWYXQOVXYMEBF-UHFFFAOYSA-N 0 0 433.847 6.840 40 5 IKBBRN CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000408623260 557071310 /nfs/dbraw/zinc/07/13/10/557071310.db2.gz RXFKJLRVRZGQLK-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(Cl)c1OCc1ccccc1 ZINC000408624978 557071558 /nfs/dbraw/zinc/07/15/58/557071558.db2.gz WJPXAMGTCGTTJQ-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC ZINC000408624301 557071678 /nfs/dbraw/zinc/07/16/78/557071678.db2.gz VMANEZCZGURRHD-UHFFFAOYSA-N 0 0 437.290 5.106 40 5 IKBBRN COc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1 ZINC000408626141 557071966 /nfs/dbraw/zinc/07/19/66/557071966.db2.gz ZGXVKUMXTBHCRD-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000408621364 557075864 /nfs/dbraw/zinc/07/58/64/557075864.db2.gz NUPSAVNTKMLRDU-UHFFFAOYSA-N 0 0 449.846 6.540 40 5 IKBBRN O=[N+]([O-])c1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 ZINC000409257069 557081577 /nfs/dbraw/zinc/08/15/77/557081577.db2.gz NUQDTEAJKPPRMV-UHFFFAOYSA-N 0 0 441.306 6.213 40 5 IKBBRN O=C1S/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 ZINC000409361518 557082600 /nfs/dbraw/zinc/08/26/00/557082600.db2.gz CYJGDHAVSIVPPY-UNOMPAQXSA-N 0 0 439.880 5.339 40 5 IKBBRN CCN1C(=O)S/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)C1=O ZINC000409359760 557086342 /nfs/dbraw/zinc/08/63/42/557086342.db2.gz XYSPYWWSZSLYMF-CXUHLZMHSA-N 0 0 438.383 5.462 40 5 IKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c(C)c1 ZINC000408696186 557104025 /nfs/dbraw/zinc/10/40/25/557104025.db2.gz XLLTYCLBABRIDU-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c1 ZINC000408694535 557105610 /nfs/dbraw/zinc/10/56/10/557105610.db2.gz KCKNHIWCKFBIHL-UHFFFAOYSA-N 0 0 433.855 5.057 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1C ZINC000408702855 557120721 /nfs/dbraw/zinc/12/07/21/557120721.db2.gz IMRSAZCYVWGBKD-UHFFFAOYSA-N 0 0 428.535 5.305 40 5 IKBBRN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020970579 557132549 /nfs/dbraw/zinc/13/25/49/557132549.db2.gz ZIROJNFITZTODM-UHFFFAOYSA-N 0 0 425.872 5.751 40 5 IKBBRN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)cc1 ZINC000408722227 557136153 /nfs/dbraw/zinc/13/61/53/557136153.db2.gz FLAIVRYBQALNSC-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN CCN1C(=O)S/C(=C\c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1=O ZINC000409356555 557137117 /nfs/dbraw/zinc/13/71/17/557137117.db2.gz HUZWVWQOFDEELS-CXUHLZMHSA-N 0 0 438.383 5.462 40 5 IKBBRN O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C\c1c2ccccc2cc2ccccc21 ZINC000408730712 557139423 /nfs/dbraw/zinc/13/94/23/557139423.db2.gz HIXMOBWBJJBIGS-STZFKDTASA-N 0 0 439.923 7.206 40 5 IKBBRN Cc1sc2nc(-c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)[nH]c(=O)c2c1C ZINC000408735628 557142929 /nfs/dbraw/zinc/14/29/29/557142929.db2.gz VEBKTCJQANAGCZ-UHFFFAOYSA-N 0 0 446.282 5.611 40 5 IKBBRN CCCCC(=O)Nc1cccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)c1 ZINC000021595485 557154985 /nfs/dbraw/zinc/15/49/85/557154985.db2.gz VVIMGZVBPUBIBF-UHFFFAOYSA-N 0 0 431.901 5.844 40 5 IKBBRN CC(C)(C)NC(=O)c1sc2c(cccc2NC(=O)c2ccccc2[N+](=O)[O-])c1Cl ZINC000021595744 557155185 /nfs/dbraw/zinc/15/51/85/557155185.db2.gz MGMKTCISGILDAU-UHFFFAOYSA-N 0 0 431.901 5.244 40 5 IKBBRN O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000021595998 557155896 /nfs/dbraw/zinc/15/58/96/557155896.db2.gz RRINXWHSCYQEER-UHFFFAOYSA-N 0 0 449.879 5.449 40 5 IKBBRN CCCCCCSc1nnc2c(n1)O[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1-2 ZINC000015015446 557202138 /nfs/dbraw/zinc/20/21/38/557202138.db2.gz MGVZSEZJSBRLQL-HXUWFJFHSA-N 0 0 437.525 5.622 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2-c2ccccc2)cc1C ZINC000408826239 557242359 /nfs/dbraw/zinc/24/23/59/557242359.db2.gz LALSXAKOYXVSIG-UHFFFAOYSA-N 0 0 429.501 6.254 40 5 IKBBRN CCCCCCSc1nnc2c(n1)O[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000015015443 557242859 /nfs/dbraw/zinc/24/28/59/557242859.db2.gz ZYMNNQUNBFSBMO-FQEVSTJZSA-N 0 0 437.525 5.622 40 5 IKBBRN CC1CCN(c2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 ZINC000057314093 557245201 /nfs/dbraw/zinc/24/52/01/557245201.db2.gz PMANTBOXMVVNAR-UHFFFAOYSA-N 0 0 442.730 6.044 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccccc3C)nc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408831489 557249102 /nfs/dbraw/zinc/24/91/02/557249102.db2.gz PNIYAHWBAWITCR-UHFFFAOYSA-N 0 0 443.528 6.563 40 5 IKBBRN Cc1ccc(-c2sc(NC(=O)c3ccc(F)cc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408836571 557255945 /nfs/dbraw/zinc/25/59/45/557255945.db2.gz SPHMUAXEYBGWKQ-UHFFFAOYSA-N 0 0 433.464 6.085 40 5 IKBBRN CCN(CC)c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1[N+](=O)[O-] ZINC000072229249 557343263 /nfs/dbraw/zinc/34/32/63/557343263.db2.gz UIIWAVJGFCSXRC-UHFFFAOYSA-N 0 0 426.698 5.109 40 5 IKBBRN CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229384 557343519 /nfs/dbraw/zinc/34/35/19/557343519.db2.gz IVSIFKSFELZXFO-UHFFFAOYSA-N 0 0 442.730 6.044 40 5 IKBBRN CC1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2[N+](=O)[O-])CC1 ZINC000072229377 557343521 /nfs/dbraw/zinc/34/35/21/557343521.db2.gz LAYNTYIJJLPDOX-UHFFFAOYSA-N 0 0 442.730 6.044 40 5 IKBBRN C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1[N+](=O)[O-] ZINC000072229381 557343541 /nfs/dbraw/zinc/34/35/41/557343541.db2.gz CLKIVDMOYAVGRF-LLVKDONJSA-N 0 0 442.730 6.186 40 5 IKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000072229383 557343554 /nfs/dbraw/zinc/34/35/54/557343554.db2.gz GAIZBTGNKALQFY-UHFFFAOYSA-N 0 0 428.703 5.798 40 5 IKBBRN O=C(Nc1cc(NC2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)cc1Cl ZINC000072229399 557343573 /nfs/dbraw/zinc/34/35/73/557343573.db2.gz HFNZLZNNEHBYMC-UHFFFAOYSA-N 0 0 442.730 6.552 40 5 IKBBRN O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408534794 557415568 /nfs/dbraw/zinc/41/55/68/557415568.db2.gz WSZFLSXBEDUMGH-UHFFFAOYSA-N 0 0 431.835 5.591 40 5 IKBBRN CCCOc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000408553586 557416747 /nfs/dbraw/zinc/41/67/47/557416747.db2.gz AMLXMAMETJVYMR-UHFFFAOYSA-N 0 0 444.123 5.521 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408558638 557416765 /nfs/dbraw/zinc/41/67/65/557416765.db2.gz SAPXKBFXRONSJS-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2)n(CC)c1-c1ccc(Cl)cc1 ZINC000408561962 557417204 /nfs/dbraw/zinc/41/72/04/557417204.db2.gz MBULYLIXHIEHST-LNVKXUELSA-N 0 0 429.929 5.492 40 5 IKBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408561932 557417402 /nfs/dbraw/zinc/41/74/02/557417402.db2.gz LTCIVXCEOIJQLB-QOCHGBHMSA-N 0 0 436.320 5.501 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccccc1 ZINC000408564532 557418052 /nfs/dbraw/zinc/41/80/52/557418052.db2.gz ZDVVTKDIQHGCJV-LNVKXUELSA-N 0 0 429.929 5.492 40 5 IKBBRN COc1ccc(-c2cc(C(F)(F)F)nc(Sc3ccc([N+](=O)[O-])cc3C(C)=O)n2)cc1 ZINC000408583043 557420302 /nfs/dbraw/zinc/42/03/02/557420302.db2.gz RHHUDSYYUZFUSU-UHFFFAOYSA-N 0 0 449.410 5.433 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000408604839 557421095 /nfs/dbraw/zinc/42/10/95/557421095.db2.gz FKMDSSMNJJVDGI-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408609144 557421645 /nfs/dbraw/zinc/42/16/45/557421645.db2.gz OHMCQBVDXMYOFK-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN Cc1cccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2Cl)c1 ZINC000408609718 557421647 /nfs/dbraw/zinc/42/16/47/557421647.db2.gz OMDFNLACPJRTRV-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)c1 ZINC000408617094 557422214 /nfs/dbraw/zinc/42/22/14/557422214.db2.gz BOPNYPUNAMBZKN-UHFFFAOYSA-N 0 0 433.847 6.840 40 5 IKBBRN O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408622536 557422497 /nfs/dbraw/zinc/42/24/97/557422497.db2.gz QZYQRZKDXGXPIG-UHFFFAOYSA-N 0 0 434.835 6.553 40 5 IKBBRN COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000408623384 557422515 /nfs/dbraw/zinc/42/25/15/557422515.db2.gz SVZAXZKRXJUQLR-UHFFFAOYSA-N 0 0 449.846 6.540 40 5 IKBBRN Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccc(Cl)cc3)o2)cccc1[N+](=O)[O-] ZINC000014269747 557428910 /nfs/dbraw/zinc/42/89/10/557428910.db2.gz INFKQPNKKPVOOH-ZRDIBKRKSA-N 0 0 441.896 5.343 40 5 IKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000014270485 557429891 /nfs/dbraw/zinc/42/98/91/557429891.db2.gz ZZJNXRAJGFZHQG-UHFFFAOYSA-N 0 0 448.529 5.307 40 5 IKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000014270699 557430107 /nfs/dbraw/zinc/43/01/07/557430107.db2.gz RDDDFBNETGXTAN-UHFFFAOYSA-N 0 0 446.488 5.147 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 ZINC000014273184 557432798 /nfs/dbraw/zinc/43/27/98/557432798.db2.gz XVBGYMZMHUCXQM-WUXMJOGZSA-N 0 0 446.846 5.674 40 5 IKBBRN O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3nc2OCc2cccc([N+](=O)[O-])c2)c1 ZINC000024522765 557439487 /nfs/dbraw/zinc/43/94/87/557439487.db2.gz UDXOXGKYZSKDJT-VAWYXSNFSA-N 0 0 428.404 5.196 40 5 IKBBRN O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc([N+](=O)[O-])cc1 ZINC000024522745 557439551 /nfs/dbraw/zinc/43/95/51/557439551.db2.gz KYUXCCIVEKIVDV-UHFFFAOYSA-N 0 0 428.444 5.593 40 5 IKBBRN O=C1S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N1Cc1ccccc1 ZINC000106685518 557531421 /nfs/dbraw/zinc/53/14/21/557531421.db2.gz KMKIPECUMVTLSM-UNOMPAQXSA-N 0 0 433.445 5.019 40 5 IKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Cl)cc1Cl ZINC000106701362 557531655 /nfs/dbraw/zinc/53/16/55/557531655.db2.gz GQUZCELGKKZEED-UUASQNMZSA-N 0 0 443.695 5.792 40 5 IKBBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000106739394 557532230 /nfs/dbraw/zinc/53/22/30/557532230.db2.gz ONTMPONYZOAQNH-GQFJFNLSSA-N 0 0 442.493 5.017 40 5 IKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(F)cc1Cl ZINC000106745273 557532393 /nfs/dbraw/zinc/53/23/93/557532393.db2.gz DFZQPNSFZZZCER-UUASQNMZSA-N 0 0 427.240 5.277 40 5 IKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c2cccnc12 ZINC000225872937 557787677 /nfs/dbraw/zinc/78/76/77/557787677.db2.gz ZURMHHLVWQIUDM-UHFFFAOYSA-N 0 0 449.507 5.009 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)o1 ZINC000000861634 557831809 /nfs/dbraw/zinc/83/18/09/557831809.db2.gz KXKBKMVGIOHUSQ-UHFFFAOYSA-N 0 0 439.431 5.149 40 5 IKBBRN Cc1cccc2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc(-c3ccc(F)cc3)nc12 ZINC000000869021 557832010 /nfs/dbraw/zinc/83/20/10/557832010.db2.gz HNCLJPVWFXSCBC-UHFFFAOYSA-N 0 0 448.479 5.383 40 5 IKBBRN Cc1ccc(C(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000000888314 557851600 /nfs/dbraw/zinc/85/16/00/557851600.db2.gz FWPIICTWDVOCFJ-UHFFFAOYSA-N 0 0 430.489 5.126 40 5 IKBBRN O=C(Nc1c(Br)cc(Cl)cc1Br)c1ccc([N+](=O)[O-])cc1 ZINC000000887945 557851661 /nfs/dbraw/zinc/85/16/61/557851661.db2.gz YTPVVEKSOCJKRC-UHFFFAOYSA-N 0 0 434.471 5.026 40 5 IKBBRN COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1[N+](=O)[O-] ZINC000214796149 568654158 /nfs/dbraw/zinc/65/41/58/568654158.db2.gz PKSBVOGVBAIOOM-LZYBPNLTSA-N 0 0 439.276 5.147 40 5 IKBBRN O=C(Nc1cc(Oc2ccc(Br)cc2)cc([N+](=O)[O-])c1)c1ccccc1F ZINC000001052684 568654637 /nfs/dbraw/zinc/65/46/37/568654637.db2.gz ZGDOOPMRNZPGTC-UHFFFAOYSA-N 0 0 431.217 5.541 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(Cl)cc1 ZINC000001060677 568655346 /nfs/dbraw/zinc/65/53/46/568655346.db2.gz WKIWKAAWJHALEO-WQRHYEAKSA-N 0 0 426.837 5.749 40 5 IKBBRN CCCCc1ccc2c(N)c(C(=O)Nc3ccc([N+](=O)[O-])cc3Br)sc2n1 ZINC000015276966 568752840 /nfs/dbraw/zinc/75/28/40/568752840.db2.gz QJWGZDGKYRAYCY-UHFFFAOYSA-N 0 0 449.330 5.144 40 5 IKBBRN Cc1ccc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 ZINC000015304096 568755141 /nfs/dbraw/zinc/75/51/41/568755141.db2.gz QVDHFZIGJYCPOR-UHFFFAOYSA-N 0 0 430.489 5.126 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 ZINC000223114622 568779673 /nfs/dbraw/zinc/77/96/73/568779673.db2.gz XAQHRQLPNRXXLR-DHIUTWEWSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 ZINC000223123177 568779855 /nfs/dbraw/zinc/77/98/55/568779855.db2.gz UXYBJPIJPMNALY-PKTZIBPZSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223123591 568779863 /nfs/dbraw/zinc/77/98/63/568779863.db2.gz LYZKQLSAOFDQSB-GOTSBHOMSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223123404 568779892 /nfs/dbraw/zinc/77/98/92/568779892.db2.gz LYZKQLSAOFDQSB-DHIUTWEWSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 ZINC000223123467 568779897 /nfs/dbraw/zinc/77/98/97/568779897.db2.gz LYZKQLSAOFDQSB-PKTZIBPZSA-N 0 0 448.548 5.555 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000006075365 568820540 /nfs/dbraw/zinc/82/05/40/568820540.db2.gz PBABKNCXISXEIG-FRKPEAEDSA-N 0 0 443.503 5.797 40 5 IKBBRN COc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc45)o3)cc2)cc1[N+](=O)[O-] ZINC000001514407 568836229 /nfs/dbraw/zinc/83/62/29/568836229.db2.gz AWQHGZMRYDFEAO-UHFFFAOYSA-N 0 0 439.427 5.817 40 5 IKBBRN COc1ccc(/C=C/c2nc(Nc3ccccc3)nc(Nc3ccccc3)c2[N+](=O)[O-])cc1 ZINC000016215868 568873017 /nfs/dbraw/zinc/87/30/17/568873017.db2.gz OXSDOVHWGBPOGR-SAPNQHFASA-N 0 0 439.475 6.051 40 5 IKBBRN Cc1nc(Nc2ccc(F)c(Cl)c2)nc(Nc2ccc(F)c(Cl)c2)c1[N+](=O)[O-] ZINC000016249508 568874952 /nfs/dbraw/zinc/87/49/52/568874952.db2.gz USSYBDUWEJGUEC-UHFFFAOYSA-N 0 0 426.210 5.765 40 5 IKBBRN Cc1cc2nn(-c3cccc4ccccc43)nc2cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000016284347 568875389 /nfs/dbraw/zinc/87/53/89/568875389.db2.gz KDGUUTZCWBCGOI-OUKQBFOZSA-N 0 0 449.470 5.442 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1NC(=O)c1ccccc1 ZINC000016282678 568875427 /nfs/dbraw/zinc/87/54/27/568875427.db2.gz NRSLZTFFNDOGDS-UHFFFAOYSA-N 0 0 441.443 5.668 40 5 IKBBRN Cc1ccc(C(=O)Sc2nc3cc([N+](=O)[O-])ccc3n2C(=O)c2ccc(C)cc2)cc1 ZINC000016292094 568875518 /nfs/dbraw/zinc/87/55/18/568875518.db2.gz XKJLKLFJCBCUND-UHFFFAOYSA-N 0 0 431.473 5.182 40 5 IKBBRN O=C(Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-])Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000001671472 568877404 /nfs/dbraw/zinc/87/74/04/568877404.db2.gz NELPXZSFDMJQMS-UHFFFAOYSA-N 0 0 441.994 5.694 40 5 IKBBRN Cc1ccc(-c2ccc(COC(=O)COc3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-] ZINC000016347926 568877493 /nfs/dbraw/zinc/87/74/93/568877493.db2.gz DCXQCJJSJBPKAG-UHFFFAOYSA-N 0 0 436.247 5.592 40 5 IKBBRN O=[N+]([O-])c1ccc2oc(SCc3nc4ccc(Cl)cn4c3Br)nc2c1 ZINC000026442513 568877589 /nfs/dbraw/zinc/87/75/89/568877589.db2.gz DRPUSMJHOQTNBM-UHFFFAOYSA-N 0 0 439.678 5.092 40 5 IKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000214538732 568896058 /nfs/dbraw/zinc/89/60/58/568896058.db2.gz KXVDQXNGNJPJMY-WSDLNYQXSA-N 0 0 448.500 6.017 40 5 IKBBRN O=C(Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])c(NC(=O)Nc2ccc(F)cc2)c1 ZINC000016428438 568900466 /nfs/dbraw/zinc/90/04/66/568900466.db2.gz HQHJPTNIFPTJQX-UHFFFAOYSA-N 0 0 427.367 5.161 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(Cl)c1 ZINC000224151760 568907779 /nfs/dbraw/zinc/90/77/79/568907779.db2.gz SSFZLNMGZANUAQ-UHFFFAOYSA-N 0 0 426.856 5.397 40 5 IKBBRN O=[N+]([O-])c1c(/C=C/c2ccccc2O)nc(Nc2ccccc2)nc1Nc1ccccc1 ZINC000016490502 568915053 /nfs/dbraw/zinc/91/50/53/568915053.db2.gz ABHBPHPRJSBGRB-FOCLMDBBSA-N 0 0 425.448 5.748 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224189143 568915477 /nfs/dbraw/zinc/91/54/77/568915477.db2.gz XRYZMVSGEUAXHO-DHIUTWEWSA-N 0 0 442.500 5.427 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224181136 568915555 /nfs/dbraw/zinc/91/55/55/568915555.db2.gz SHIPMSQTVFILIN-PKTZIBPZSA-N 0 0 442.500 5.427 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 ZINC000224188997 568915571 /nfs/dbraw/zinc/91/55/71/568915571.db2.gz OLTSMJAHAFAZCD-XZOQPEGZSA-N 0 0 442.500 5.427 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000001838339 568915817 /nfs/dbraw/zinc/91/58/17/568915817.db2.gz YFWWUQIOBGPFCB-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000001861315 568916791 /nfs/dbraw/zinc/91/67/91/568916791.db2.gz VDXORODIYDGSCG-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cc(C)cc(C)c1C ZINC000224283041 568917171 /nfs/dbraw/zinc/91/71/71/568917171.db2.gz DYASGBKEJBNTGI-UHFFFAOYSA-N 0 0 434.492 5.668 40 5 IKBBRN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000006474891 568919871 /nfs/dbraw/zinc/91/98/71/568919871.db2.gz SGXNMDMKBNQELP-UHFFFAOYSA-N 0 0 433.449 5.043 40 5 IKBBRN O=[N+]([O-])c1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1 ZINC000016524036 568920699 /nfs/dbraw/zinc/92/06/99/568920699.db2.gz BTPCOAKSQWPMKB-UHFFFAOYSA-N 0 0 446.304 5.976 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nc2c1 ZINC000016610770 568925633 /nfs/dbraw/zinc/92/56/33/568925633.db2.gz JRBBHUFULIHRTR-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 ZINC000006510975 568928386 /nfs/dbraw/zinc/92/83/86/568928386.db2.gz JUVCPTSBPOKOJK-UHFFFAOYSA-N 0 0 433.895 5.626 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(Cl)cc1 ZINC000224504861 568931687 /nfs/dbraw/zinc/93/16/87/568931687.db2.gz LKSJMKSIFDIIAQ-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(Cl)cc1 ZINC000224502167 568931750 /nfs/dbraw/zinc/93/17/50/568931750.db2.gz GMYVQNIVHTVQNY-UHFFFAOYSA-N 0 0 426.856 5.478 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1cccc(OC)c1 ZINC000224593216 568940987 /nfs/dbraw/zinc/94/09/87/568940987.db2.gz YUGDRIAIZQGTLH-UHFFFAOYSA-N 0 0 436.464 5.142 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(OC)cc1 ZINC000224604013 568940999 /nfs/dbraw/zinc/94/09/99/568940999.db2.gz VAKUHVZJXDBWSX-UHFFFAOYSA-N 0 0 436.464 5.142 40 5 IKBBRN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl ZINC000037258176 569143135 /nfs/dbraw/zinc/14/31/35/569143135.db2.gz OUJSBPXCOCNVOQ-UGKGYDQZSA-N 0 0 440.286 6.144 40 5 IKBBRN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl ZINC000037258179 569143290 /nfs/dbraw/zinc/14/32/90/569143290.db2.gz OUJSBPXCOCNVOQ-KNQAVFIVSA-N 0 0 440.286 6.144 40 5 IKBBRN Cc1ccc(OCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 ZINC000016789330 569162007 /nfs/dbraw/zinc/16/20/07/569162007.db2.gz GUBSXCQXHSUMMV-UHFFFAOYSA-N 0 0 432.505 5.355 40 5 IKBBRN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc([N+](=O)[O-])ccc1Cl ZINC000017095099 569172482 /nfs/dbraw/zinc/17/24/82/569172482.db2.gz JSVCELLQXWMJMH-UHFFFAOYSA-N 0 0 426.639 6.172 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc3C)o2)cc1Cl ZINC000017097352 569172715 /nfs/dbraw/zinc/17/27/15/569172715.db2.gz PDAIILZKQCSJEQ-SOFGYWHQSA-N 0 0 431.275 6.430 40 5 IKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000017098729 569173255 /nfs/dbraw/zinc/17/32/55/569173255.db2.gz LCMFJBPYOGKKRD-UHFFFAOYSA-N 0 0 434.260 6.024 40 5 IKBBRN O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000017101666 569173314 /nfs/dbraw/zinc/17/33/14/569173314.db2.gz MTEDAPPJWZUYLH-ZZXKWVIFSA-N 0 0 437.666 6.467 40 5 IKBBRN COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000017098302 569173568 /nfs/dbraw/zinc/17/35/68/569173568.db2.gz ACHPACYRSMZZDJ-WEVVVXLNSA-N 0 0 433.247 5.822 40 5 IKBBRN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000017100039 569173702 /nfs/dbraw/zinc/17/37/02/569173702.db2.gz WGDJMMLFUZKAFF-UHFFFAOYSA-N 0 0 436.405 5.139 40 5 IKBBRN CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3n2)cc1 ZINC000017099722 569173822 /nfs/dbraw/zinc/17/38/22/569173822.db2.gz XBOUDOFPAJYYGK-UHFFFAOYSA-N 0 0 435.871 5.105 40 5 IKBBRN Cc1c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 ZINC000017099212 569173928 /nfs/dbraw/zinc/17/39/28/569173928.db2.gz YDZHONTVJRKOFU-CSKARUKUSA-N 0 0 434.839 5.412 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CSc1ccc(C)cc1 ZINC000224667760 569179095 /nfs/dbraw/zinc/17/90/95/569179095.db2.gz WQTONQGMTIGCEZ-UHFFFAOYSA-N 0 0 436.533 6.155 40 5 IKBBRN COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)cc1 ZINC000224913700 569191507 /nfs/dbraw/zinc/19/15/07/569191507.db2.gz IHRSZZAEWFUQIJ-UHFFFAOYSA-N 0 0 429.432 5.486 40 5 IKBBRN O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000214986626 569213579 /nfs/dbraw/zinc/21/35/79/569213579.db2.gz PEAWVUVSOUOGRZ-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 ZINC000225026792 569213714 /nfs/dbraw/zinc/21/37/14/569213714.db2.gz DPAKPFCXNRDXFQ-FCHUYYIVSA-N 0 0 434.521 5.165 40 5 IKBBRN CCn1c(=O)sc2cc(NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)c3ccccc3)ccc21 ZINC000225076885 569214196 /nfs/dbraw/zinc/21/41/96/569214196.db2.gz VTJOFCFUYVHJGY-XSFVSMFZSA-N 0 0 445.500 5.170 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1C ZINC000033415782 569244027 /nfs/dbraw/zinc/24/40/27/569244027.db2.gz AQQJZVRPOUYCNL-UHFFFAOYSA-N 0 0 429.885 5.252 40 5 IKBBRN O=C(Nc1ccccc1Cl)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000033788220 569246801 /nfs/dbraw/zinc/24/68/01/569246801.db2.gz WDUQZKCEDRLNJO-UHFFFAOYSA-N 0 0 435.874 5.785 40 5 IKBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033788210 569246828 /nfs/dbraw/zinc/24/68/28/569246828.db2.gz OXXGBHNYVTWJDH-UHFFFAOYSA-N 0 0 425.872 5.751 40 5 IKBBRN COc1ccc(-c2ccc(/C=C3\SC(=N)N(c4cc(C)ccc4C)C3=O)o2)c([N+](=O)[O-])c1 ZINC000059639196 569249734 /nfs/dbraw/zinc/24/97/34/569249734.db2.gz XBPQYJNKOLEROE-QNIYZRLESA-N 0 0 449.488 5.536 40 5 IKBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000104561426 569250251 /nfs/dbraw/zinc/25/02/51/569250251.db2.gz IESVBUIMWXGWFQ-UHFFFAOYSA-N 0 0 437.547 5.824 40 5 IKBBRN CCCN(Cc1ccccc1)C(=S)Nc1ccc2sc3nc4ccccc4nc3c2c1 ZINC000104360801 569250262 /nfs/dbraw/zinc/25/02/62/569250262.db2.gz QNJKVMNGLKHGQP-UHFFFAOYSA-N 0 0 442.613 6.607 40 5 IKBBRN S=C(NCc1ccccc1)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000104372271 569250372 /nfs/dbraw/zinc/25/03/72/569250372.db2.gz GSILTWUFGDKRNH-UHFFFAOYSA-N 0 0 446.539 5.366 40 5 IKBBRN Cc1noc(/C=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1[N+](=O)[O-] ZINC000108134469 569252517 /nfs/dbraw/zinc/25/25/17/569252517.db2.gz RRHXIYICXSEELZ-YWEYNIOJSA-N 0 0 449.688 6.057 40 5 IKBBRN O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108243396 569252762 /nfs/dbraw/zinc/25/27/62/569252762.db2.gz BVOOKZTXDINTIR-UHFFFAOYSA-N 0 0 435.383 5.000 40 5 IKBBRN O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000108217747 569252788 /nfs/dbraw/zinc/25/27/88/569252788.db2.gz KZTPDSYFNMAPHM-UHFFFAOYSA-N 0 0 442.947 5.481 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)c([N+](=O)[O-])c1 ZINC000214351574 569283822 /nfs/dbraw/zinc/28/38/22/569283822.db2.gz XZPUNXWOAUYJTC-RGVLZGJSSA-N 0 0 438.436 5.539 40 5 IKBBRN O=C(Cc1ccccc1)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000008767072 569290347 /nfs/dbraw/zinc/29/03/47/569290347.db2.gz MQXVOYODSUVDPX-UHFFFAOYSA-N 0 0 431.275 5.662 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1c1cccc(O)c1 ZINC000008820716 569290799 /nfs/dbraw/zinc/29/07/99/569290799.db2.gz WYABRPNGTOUKLT-ZDLGFXPLSA-N 0 0 442.836 5.455 40 5 IKBBRN COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1[N+](=O)[O-] ZINC000008832195 569291127 /nfs/dbraw/zinc/29/11/27/569291127.db2.gz LQQRLNJSUBIADK-UHFFFAOYSA-N 0 0 445.479 5.021 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3noc(-c4ccccc4[N+](=O)[O-])n3)cc2)cc1 ZINC000008873120 569291716 /nfs/dbraw/zinc/29/17/16/569291716.db2.gz VFSCUCHJXLWPBW-UHFFFAOYSA-N 0 0 442.475 5.862 40 5 IKBBRN O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008904109 569292179 /nfs/dbraw/zinc/29/21/79/569292179.db2.gz IAVJPUWADCYVHM-UHFFFAOYSA-N 0 0 434.448 5.597 40 5 IKBBRN CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000008902956 569292199 /nfs/dbraw/zinc/29/21/99/569292199.db2.gz RFTHQZOEZRHGGR-UHFFFAOYSA-N 0 0 435.867 6.432 40 5 IKBBRN O=C(c1ccco1)N(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2ccccc2c1 ZINC000008926480 569292343 /nfs/dbraw/zinc/29/23/43/569292343.db2.gz ZPHXPVRQTWSWTR-UHFFFAOYSA-N 0 0 438.439 6.448 40 5 IKBBRN O=c1c2ccccc2nc(/C=C/c2ccccc2Br)n1-c1ccc([N+](=O)[O-])cc1 ZINC000008927088 569292456 /nfs/dbraw/zinc/29/24/56/569292456.db2.gz QJBDQJHIHRAGAZ-NTEUORMPSA-N 0 0 448.276 5.227 40 5 IKBBRN Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 ZINC000008990019 569292691 /nfs/dbraw/zinc/29/26/91/569292691.db2.gz LOZAUVLJTPQSGG-BKUYFWCQSA-N 0 0 428.444 5.135 40 5 IKBBRN COc1ccc(N2C(=O)CC[C@H](Sc3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccccc2)cc1 ZINC000065090588 569292801 /nfs/dbraw/zinc/29/28/01/569292801.db2.gz KUPPPQBRTMFCBP-UPVQGACJSA-N 0 0 434.517 5.632 40 5 IKBBRN COc1ccc(N2C(=O)CC[C@@H](Sc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000065090584 569292883 /nfs/dbraw/zinc/29/28/83/569292883.db2.gz KUPPPQBRTMFCBP-ISKFKSNPSA-N 0 0 434.517 5.632 40 5 IKBBRN O=C(c1ccccc1Cl)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000009056494 569293084 /nfs/dbraw/zinc/29/30/84/569293084.db2.gz FYKHBAHAOBZJGP-UHFFFAOYSA-N 0 0 445.700 5.858 40 5 IKBBRN Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000113928809 569297203 /nfs/dbraw/zinc/29/72/03/569297203.db2.gz JYBKXSXXVXUSNK-HHHXNRCGSA-N 0 0 449.510 6.269 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc21 ZINC000010010569 569299036 /nfs/dbraw/zinc/29/90/36/569299036.db2.gz AISHFRDLABSHQB-UHFFFAOYSA-N 0 0 435.461 5.044 40 5 IKBBRN Cc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000010128863 569299398 /nfs/dbraw/zinc/29/93/98/569299398.db2.gz VBZKLEIGSPYRJC-UHFFFAOYSA-N 0 0 434.835 5.582 40 5 IKBBRN Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372881 569299844 /nfs/dbraw/zinc/29/98/44/569299844.db2.gz VFMUSKJYFBMSCL-UHFFFAOYSA-N 0 0 442.475 5.557 40 5 IKBBRN CCOc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000315428192 569302604 /nfs/dbraw/zinc/30/26/04/569302604.db2.gz JLBASADVIGFZKS-UHFFFAOYSA-N 0 0 430.096 5.131 40 5 IKBBRN O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000011859699 569302948 /nfs/dbraw/zinc/30/29/48/569302948.db2.gz IWQRTZGOOAOWNC-DUIKLYPQSA-N 0 0 426.519 5.257 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)o1 ZINC000013371664 569314388 /nfs/dbraw/zinc/31/43/88/569314388.db2.gz ADISMYOXZQXBDG-UHFFFAOYSA-N 0 0 431.404 5.261 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Cl)c2ccccc2)cc1/C=C(\Cl)c1ccccc1 ZINC000013402326 569315422 /nfs/dbraw/zinc/31/54/22/569315422.db2.gz PBRPOONQQCXZRL-YXZJEIOKSA-N 0 0 441.270 6.977 40 5 IKBBRN O=[N+]([O-])c1ccccc1/C(Br)=C(\Br)c1ccccc1[N+](=O)[O-] ZINC000013403046 569315520 /nfs/dbraw/zinc/31/55/20/569315520.db2.gz LJHPXTLMARIPGY-BUHFOSPRSA-N 0 0 428.036 5.119 40 5 IKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 ZINC000019630685 569323901 /nfs/dbraw/zinc/32/39/01/569323901.db2.gz GCGYOQJQYJJOBK-UHFFFAOYSA-N 0 0 439.880 5.542 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000019639803 569324835 /nfs/dbraw/zinc/32/48/35/569324835.db2.gz UIRIRAPAPRJQNR-UHFFFAOYSA-N 0 0 444.299 6.431 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000019643281 569324983 /nfs/dbraw/zinc/32/49/83/569324983.db2.gz GOVFKIWTCBZQDJ-HNNXBMFYSA-N 0 0 445.475 6.177 40 5 IKBBRN Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)c1 ZINC000019640573 569324989 /nfs/dbraw/zinc/32/49/89/569324989.db2.gz ASVDQKJMCDYETM-UHFFFAOYSA-N 0 0 444.491 5.008 40 5 IKBBRN CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3n2)cc1 ZINC000019638289 569325030 /nfs/dbraw/zinc/32/50/30/569325030.db2.gz IHXNLHFIPPXTDX-UHFFFAOYSA-N 0 0 443.507 5.540 40 5 IKBBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccc(Br)cc2)o1 ZINC000019639698 569325047 /nfs/dbraw/zinc/32/50/47/569325047.db2.gz RJXUTOQPBZDCLC-UHFFFAOYSA-N 0 0 444.266 5.479 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000019894515 569331665 /nfs/dbraw/zinc/33/16/65/569331665.db2.gz YUVKVGIDVWADSH-UHFFFAOYSA-N 0 0 435.530 6.316 40 5 IKBBRN O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020139636 569335912 /nfs/dbraw/zinc/33/59/12/569335912.db2.gz FWBMHXXKDGAFNH-UHFFFAOYSA-N 0 0 428.853 5.468 40 5 IKBBRN Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000214588222 569365181 /nfs/dbraw/zinc/36/51/81/569365181.db2.gz OTOSHHFRTZDJHK-WSDLNYQXSA-N 0 0 448.500 6.017 40 5 IKBBRN CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OC ZINC000225676947 569392718 /nfs/dbraw/zinc/39/27/18/569392718.db2.gz KYZQIALCWIGGNJ-MRXNPFEDSA-N 0 0 440.496 5.009 40 5 IKBBRN CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1C(=O)OCC ZINC000225677106 569392759 /nfs/dbraw/zinc/39/27/59/569392759.db2.gz BEZZLNQOZSZZRL-UHFFFAOYSA-N 0 0 440.496 5.011 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000022528989 569403378 /nfs/dbraw/zinc/40/33/78/569403378.db2.gz KLDUFFNRFYXUOB-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCc1ccccc1 ZINC000225564979 569404378 /nfs/dbraw/zinc/40/43/78/569404378.db2.gz YSORPNQDOYYAGD-UHFFFAOYSA-N 0 0 446.503 5.169 40 5 IKBBRN COc1ccc(OC)c([C@@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000225668430 569406467 /nfs/dbraw/zinc/40/64/67/569406467.db2.gz LHSHALYYMSVXHZ-HAFIMRKLSA-N 0 0 432.476 5.030 40 5 IKBBRN CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2ccccc12 ZINC000225758074 569408078 /nfs/dbraw/zinc/40/80/78/569408078.db2.gz CCPWULIMODNQRF-UHFFFAOYSA-N 0 0 446.547 6.768 40 5 IKBBRN CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCC ZINC000225757074 569408113 /nfs/dbraw/zinc/40/81/13/569408113.db2.gz OEKXPJJJXVHSGI-UHFFFAOYSA-N 0 0 440.496 5.011 40 5 IKBBRN C[C@@H](CCc1ccco1)N(C)C(=O)c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000002729974 569418223 /nfs/dbraw/zinc/41/82/23/569418223.db2.gz XXGLDVHAVSFITA-INIZCTEOSA-N 0 0 442.899 5.514 40 5 IKBBRN CCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002736911 569419293 /nfs/dbraw/zinc/41/92/93/569419293.db2.gz HBJDGJJIKNKOQG-SFHVURJKSA-N 0 0 443.916 5.496 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(C(F)(F)F)cc1Cl ZINC000057312910 569430629 /nfs/dbraw/zinc/43/06/29/569430629.db2.gz ZDAXIXLIOQVSRF-JXMROGBWSA-N 0 0 436.773 6.179 40 5 IKBBRN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2s1 ZINC000057313621 569430663 /nfs/dbraw/zinc/43/06/63/569430663.db2.gz RIZOFBKLIIUZRH-UHFFFAOYSA-N 0 0 436.449 5.065 40 5 IKBBRN O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1 ZINC000003032964 569437194 /nfs/dbraw/zinc/43/71/94/569437194.db2.gz YJNWMMRBZRDLRS-UHFFFAOYSA-N 0 0 427.485 5.694 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc3cc(OCc4ccc([N+](=O)[O-])cc4)ccc3c2)cc1 ZINC000003145078 569440846 /nfs/dbraw/zinc/44/08/46/569440846.db2.gz GMAGAHYCZJTCES-UHFFFAOYSA-N 0 0 430.416 5.814 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2)cc1 ZINC000030753148 569447623 /nfs/dbraw/zinc/44/76/23/569447623.db2.gz NMSYZPYOADTUHM-XNTDXEJSSA-N 0 0 428.488 5.775 40 5 IKBBRN CCCCOc1ccc(-c2nnc3sc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn32)cc1 ZINC000003843297 569456599 /nfs/dbraw/zinc/45/65/99/569456599.db2.gz AVFZELJBCVNREK-UHFFFAOYSA-N 0 0 429.889 5.260 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C(Cl)=C\c2ccccc2)cc1/C(Cl)=C\c1ccccc1 ZINC000003846722 569456669 /nfs/dbraw/zinc/45/66/69/569456669.db2.gz SIGAOLLEFXESBW-AYKLPDECSA-N 0 0 441.270 6.977 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc45)o3)c2)cc1[N+](=O)[O-] ZINC000032126903 569460345 /nfs/dbraw/zinc/46/03/45/569460345.db2.gz JGGLFKREBBHUHP-UHFFFAOYSA-N 0 0 439.427 5.817 40 5 IKBBRN O=C(Nc1cccc(-c2nc3c(ccc4ccccc34)o2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000032126465 569460356 /nfs/dbraw/zinc/46/03/56/569460356.db2.gz QQXJGYLJTLRISH-UHFFFAOYSA-N 0 0 443.846 6.462 40 5 IKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)cc2[N+](=O)[O-])CC1 ZINC000059294294 569460848 /nfs/dbraw/zinc/46/08/48/569460848.db2.gz SCAWIUXXCAOXQW-UHFFFAOYSA-N 0 0 442.947 5.337 40 5 IKBBRN O=C(COc1ccc2ccccc2c1Br)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000218903779 569460902 /nfs/dbraw/zinc/46/09/02/569460902.db2.gz CSPVZDZCCFXWPC-UHFFFAOYSA-N 0 0 435.661 5.181 40 5 IKBBRN Cc1ccc2c(c1)N(C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)c1ssc(=S)c1-2 ZINC000059428140 569461315 /nfs/dbraw/zinc/46/13/15/569461315.db2.gz QTNUZNQOZFWLDP-UHFFFAOYSA-N 0 0 442.587 6.247 40 5 IKBBRN COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-] ZINC000059428135 569461319 /nfs/dbraw/zinc/46/13/19/569461319.db2.gz VARXZMNQKOJUNO-UHFFFAOYSA-N 0 0 444.559 6.018 40 5 IKBBRN O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 ZINC000059434523 569461420 /nfs/dbraw/zinc/46/14/20/569461420.db2.gz YNRHUKGSUFTZDE-UHFFFAOYSA-N 0 0 447.497 5.297 40 5 IKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463632 569461538 /nfs/dbraw/zinc/46/15/38/569461538.db2.gz HDTCOYNITSSEOV-UHFFFAOYSA-N 0 0 443.528 6.563 40 5 IKBBRN Cc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463631 569461546 /nfs/dbraw/zinc/46/15/46/569461546.db2.gz JMWVGQGFWFRVEU-UHFFFAOYSA-N 0 0 447.491 6.394 40 5 IKBBRN CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1[C@H]1OCCCN1Cc1ccccc1 ZINC000059489908 569461582 /nfs/dbraw/zinc/46/15/82/569461582.db2.gz MHFZSPHYCGNPJM-RUZDIDTESA-N 0 0 425.573 5.634 40 5 IKBBRN CC1(C)c2ccccc2[N+](Cc2ccccc2)=C1/C=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-] ZINC000004280938 569461770 /nfs/dbraw/zinc/46/17/70/569461770.db2.gz KOTWURAHAHPEPJ-UHFFFAOYSA-O 0 0 444.467 5.498 40 5 IKBBRN O=C(Nc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000008432266 569464235 /nfs/dbraw/zinc/46/42/35/569464235.db2.gz AYFWMOYCTXGBJA-GXRSIYKFSA-N 0 0 441.487 5.079 40 5 IKBBRN O=C(Nc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-])[C@@H]1C[C@@H]1c1ccccc1 ZINC000008432264 569464291 /nfs/dbraw/zinc/46/42/91/569464291.db2.gz AYFWMOYCTXGBJA-YUMYIRISSA-N 0 0 441.487 5.079 40 5 IKBBRN O=[N+]([O-])c1ccc2[nH]c(=S)n(C=C(c3ccccc3)[S@@](=O)Cc3ccccc3)c2c1 ZINC000008651936 569469701 /nfs/dbraw/zinc/46/97/01/569469701.db2.gz FKEOUYLTWWQQQK-GIHGUXAMSA-N 0 0 435.530 5.512 40 5 IKBBRN COc1cc(/C=C/C(=O)Nc2cc(C)nc3c4ccccc4ccc23)cc(OC)c1OC ZINC000040384446 569500819 /nfs/dbraw/zinc/50/08/19/569500819.db2.gz LITJYRVSQBDKFZ-FMIVXFBMSA-N 0 0 428.488 5.374 40 5 IKBBRN Cc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] ZINC000040717284 569513801 /nfs/dbraw/zinc/51/38/01/569513801.db2.gz FKPNBSFLZRNYKG-UHFFFAOYSA-N 0 0 431.448 5.346 40 5 IKBBRN COc1ccc2c(c1)oc1nc(-c3ccc(Cl)cc3)n3c4ccccc4nc3c1c2=O ZINC000006143808 193883201 /nfs/dbraw/zinc/88/32/01/193883201.db2.gz AQSYUNRKTMGUPU-UHFFFAOYSA-N 0 0 427.847 5.471 40 5 IKBBRN COc1cc(CNc2ccc(F)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000408603893 193973213 /nfs/dbraw/zinc/97/32/13/193973213.db2.gz BZXYLKLHPJUTIH-UHFFFAOYSA-N 0 0 447.806 5.709 40 5 IKBBRN Cc1cc(Br)ccc1NCc1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408613423 193979897 /nfs/dbraw/zinc/97/98/97/193979897.db2.gz UCYNQHOEZWQDMW-UHFFFAOYSA-N 0 0 427.298 5.857 40 5 IKBBRN CCOc1cc(C=O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000035657388 520692280 /nfs/dbraw/zinc/69/22/80/520692280.db2.gz NUDGJKSVTQBTLL-UHFFFAOYSA-N 0 0 434.164 5.380 40 5 IKBBRN CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)N1 ZINC000020969974 520804713 /nfs/dbraw/zinc/80/47/13/520804713.db2.gz VXHMVMKMWANUBK-JOCHJYFZSA-N 0 0 443.438 5.011 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610809 522044137 /nfs/dbraw/zinc/04/41/37/522044137.db2.gz RCGIGCFRIFRHDO-HNNXBMFYSA-N 0 0 429.476 6.477 40 5 IKBBRN CCc1nc(SCc2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)n[nH]1 ZINC000020611437 522136020 /nfs/dbraw/zinc/13/60/20/522136020.db2.gz DRQZCAJCEGLERR-UHFFFAOYSA-N 0 0 449.492 5.080 40 5 IKBBRN Cc1cc(C)cc(N2C(=O)c3cc4oc5ccccc5c5ccccc5oc4cc3C2=O)c1 ZINC000024522851 524410829 /nfs/dbraw/zinc/41/08/29/524410829.db2.gz YRBPVEYQURRKBA-UHFFFAOYSA-N 0 0 433.463 6.874 40 5 IKBBRN COc1ccccc1NC(=O)CSc1ncnc2c3cc4ccc(C)cc4nc3sc21 ZINC000035313592 524600040 /nfs/dbraw/zinc/60/00/40/524600040.db2.gz YTQTYTAZGPIONV-UHFFFAOYSA-N 0 0 446.557 5.441 40 5 IKBBRN COc1ccc(OC)c(C(=O)CSc2ncnc3c4cc5ccccc5nc4sc32)c1 ZINC000035313252 524805121 /nfs/dbraw/zinc/80/51/21/524805121.db2.gz DZIDLTYDABCVSN-UHFFFAOYSA-N 0 0 447.541 5.385 40 5 IKBBRN Cc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000020797368 525022282 /nfs/dbraw/zinc/02/22/82/525022282.db2.gz OCXXMMIYTJWCJZ-QHCPKHFHSA-N 0 0 439.475 5.181 40 5 IKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c4ccccc4ccc23)cc1C ZINC000012484982 525078613 /nfs/dbraw/zinc/07/86/13/525078613.db2.gz KVQCZNXVGJEZLZ-UHFFFAOYSA-N 0 0 449.579 6.798 40 5 IKBBRN COc1ccc([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1OC ZINC000022524947 525301960 /nfs/dbraw/zinc/30/19/60/525301960.db2.gz NCOWBPMRJVNRKV-HINJULBWSA-N 0 0 432.476 5.030 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)c([N+](=O)[O-])c1 ZINC000020609893 525748134 /nfs/dbraw/zinc/74/81/34/525748134.db2.gz SXPMHTXASZUDON-UHFFFAOYSA-N 0 0 439.431 5.149 40 5 IKBBRN Cc1ccc([C@@H](NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2)cc1 ZINC000020482664 525768614 /nfs/dbraw/zinc/76/86/14/525768614.db2.gz VHKIPLDPHDDEDJ-CGOMHOPZSA-N 0 0 448.522 6.350 40 5 IKBBRN Cc1ccc2cc3c(nc2c1)sc1c3ncnc1SCC(=O)NCc1ccccc1 ZINC000035313590 526233365 /nfs/dbraw/zinc/23/33/65/526233365.db2.gz UMCVBHIOJLQPHY-UHFFFAOYSA-N 0 0 430.558 5.110 40 5 IKBBRN O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Oc2ccc(C3CCCCC3)cc2)c([N+](=O)[O-])c1 ZINC000020457618 526714726 /nfs/dbraw/zinc/71/47/26/526714726.db2.gz KLFVFZXXLYUIRL-UHFFFAOYSA-N 0 0 446.459 6.574 40 5 IKBBRN O=C(CSc1ncnc2c3cc4ccccc4nc3sc21)Nc1ccccc1Cl ZINC000035313218 527073109 /nfs/dbraw/zinc/07/31/09/527073109.db2.gz SMNPAHXPVXVAHZ-UHFFFAOYSA-N 0 0 436.949 5.777 40 5 IKBBRN Cc1nc2ccccc2c2c(NC(=O)Cc3csc(-c4ccccn4)n3)c3ccccc3n21 ZINC000023294453 527159175 /nfs/dbraw/zinc/15/91/75/527159175.db2.gz NAQIEBNWZPUKHQ-UHFFFAOYSA-N 0 0 449.539 5.649 40 5 IKBBRN O=C(Nc1ccc(CSc2nc[nH]n2)cc1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000020611336 527170753 /nfs/dbraw/zinc/17/07/53/527170753.db2.gz LYRSOSHYZVABRI-UHFFFAOYSA-N 0 0 445.913 5.126 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2nnc(CSc3nc(-c4cccs4)nc4ccccc43)o2)cc1 ZINC000041105111 527344744 /nfs/dbraw/zinc/34/47/44/527344744.db2.gz DGLQKVJIAODYCK-UHFFFAOYSA-N 0 0 447.501 5.609 40 5 IKBBRN O=c1[nH]c2c(s1)[C@H](c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@H]1[C@@H]3CC[C@@H](C3)[C@@H]1S2 ZINC000011859700 527441119 /nfs/dbraw/zinc/44/11/19/527441119.db2.gz IWQRTZGOOAOWNC-AWHBNHEUSA-N 0 0 426.519 5.257 40 5 IKBBRN O=C(/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1)c1ccccc1 ZINC000016451251 527662422 /nfs/dbraw/zinc/66/24/22/527662422.db2.gz RSZQILIHGCLDKL-WCTVFOPTSA-N 0 0 432.504 6.604 40 5 IKBBRN S=C(Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)NC1CCCCC1 ZINC000034719478 555506545 /nfs/dbraw/zinc/50/65/45/555506545.db2.gz MDSLOENIJBUIFY-UHFFFAOYSA-N 0 0 438.560 5.499 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 ZINC000408554260 555882934 /nfs/dbraw/zinc/88/29/34/555882934.db2.gz CQXPALIFKFPULT-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC[N+](C)(C)[O-] ZINC000005426974 556052354 /nfs/dbraw/zinc/05/23/54/556052354.db2.gz GPJDIHDLTQEECK-GUUMBNHASA-N 0 0 429.733 9.213 40 5 IKBBRN COc1ccc(-c2cc(-c3ccccc3)nc3sc4c([nH]c(=O)c5ccccc45)c32)cc1 ZINC000006157204 556078655 /nfs/dbraw/zinc/07/86/55/556078655.db2.gz GPLKPZMFUJKRAC-UHFFFAOYSA-N 0 0 434.520 6.634 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc([N+](=O)[O-])ccc3Cl)o2)cc1C ZINC000035339460 556079524 /nfs/dbraw/zinc/07/95/24/556079524.db2.gz BMEOZTXHMCJRDN-UHFFFAOYSA-N 0 0 429.885 5.252 40 5 IKBBRN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1Cc1ccc2ccccc2c1 ZINC000009233173 556262005 /nfs/dbraw/zinc/26/20/05/556262005.db2.gz ULJQKRFMVRTMJG-WPWMEQJKSA-N 0 0 445.543 7.383 40 5 IKBBRN Fc1ccc(-c2cc(-c3ccc(Br)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000010372631 556333820 /nfs/dbraw/zinc/33/38/20/556333820.db2.gz MFAVBHRNVBPTTR-UHFFFAOYSA-N 0 0 428.304 7.624 40 5 IKBBRN Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 ZINC000214629701 556337836 /nfs/dbraw/zinc/33/78/36/556337836.db2.gz BLXJOIWMIRDBLX-CIAFOILYSA-N 0 0 434.473 5.708 40 5 IKBBRN Cc1c2c3ccccc3n(Cc3ccccc3)c2c(C)c2ccnc(Cc3ccccc3)c12 ZINC000013208061 556499015 /nfs/dbraw/zinc/49/90/15/556499015.db2.gz ZFQCKFDQNCGCBX-UHFFFAOYSA-N 0 0 426.563 7.599 40 5 IKBBRN O=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)Nc1ccccc1F ZINC000408973359 556611803 /nfs/dbraw/zinc/61/18/03/556611803.db2.gz APBFEFRYANDOPT-UHFFFAOYSA-N 0 0 434.434 5.663 40 5 IKBBRN CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)OCC)c2cc1C ZINC000038609386 556615073 /nfs/dbraw/zinc/61/50/73/556615073.db2.gz BRIVWQJCHBUVLE-UHFFFAOYSA-N 0 0 443.567 7.191 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2)cc1 ZINC000038755505 556617505 /nfs/dbraw/zinc/61/75/05/556617505.db2.gz KLWOEAFARWMESP-CXUHLZMHSA-N 0 0 428.488 5.775 40 5 IKBBRN COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409120815 556630705 /nfs/dbraw/zinc/63/07/05/556630705.db2.gz URTSNENWLOYNNA-ZDLGFXPLSA-N 0 0 436.851 5.329 40 5 IKBBRN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 ZINC000409183090 556633080 /nfs/dbraw/zinc/63/30/80/556633080.db2.gz PSSOTHFDCIUQFP-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN S=C(Nc1ccccc1)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408978063 556633507 /nfs/dbraw/zinc/63/35/07/556633507.db2.gz XZRIFISOCLONJU-UHFFFAOYSA-N 0 0 432.512 5.688 40 5 IKBBRN O=C1S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 ZINC000409195872 556633604 /nfs/dbraw/zinc/63/36/04/556633604.db2.gz WSSITDVYNLUHDZ-LDADJPATSA-N 0 0 425.853 5.280 40 5 IKBBRN Cc1cc2c(cc1C)N1[C@@H](C(c3ccc(OC(F)F)cc3)=N2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000016740803 556634630 /nfs/dbraw/zinc/63/46/30/556634630.db2.gz PKCRTIILKUFSJZ-LHZJRAGZSA-N 0 0 435.430 5.877 40 5 IKBBRN CCCCCn1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O ZINC000040398702 556640268 /nfs/dbraw/zinc/64/02/68/556640268.db2.gz RHWDPSOJYHIRQN-UHFFFAOYSA-N 0 0 428.319 5.198 40 5 IKBBRN O=C1c2cccc3c(Nc4cccc(Cl)c4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 ZINC000408758422 556679103 /nfs/dbraw/zinc/67/91/03/556679103.db2.gz ZZXUJYCIWIKDMB-UHFFFAOYSA-N 0 0 443.846 5.946 40 5 IKBBRN O=c1[nH]c(-c2ccc(Br)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCCC3 ZINC000408988501 556694131 /nfs/dbraw/zinc/69/41/31/556694131.db2.gz IDGMZDALMJTODY-UHFFFAOYSA-N 0 0 434.315 5.394 40 5 IKBBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H]([N+](=O)[O-])C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118924487 556696464 /nfs/dbraw/zinc/69/64/64/556696464.db2.gz ZXXFCWKZWDSLFU-KEDFQAJKSA-N 0 0 431.661 6.644 40 5 IKBBRN C[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000013668890 556709901 /nfs/dbraw/zinc/70/99/01/556709901.db2.gz GOEAKJDFOLXTQU-VWBBVOOFSA-N 0 0 428.532 6.310 40 5 IKBBRN CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O ZINC000409017455 556721420 /nfs/dbraw/zinc/72/14/20/556721420.db2.gz WTMHYUPDPAJBMF-MQMKENTISA-N 0 0 442.493 5.017 40 5 IKBBRN O=[N+]([O-])c1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1 ZINC000019319586 556736132 /nfs/dbraw/zinc/73/61/32/556736132.db2.gz ICGQVXUXFWBBQK-UHFFFAOYSA-N 0 0 442.346 5.918 40 5 IKBBRN O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F ZINC000409052519 556757738 /nfs/dbraw/zinc/75/77/38/556757738.db2.gz IFTXYAUIFJPOBK-UHFFFAOYSA-N 0 0 437.427 5.916 40 5 IKBBRN Cc1cc(NC(=O)CSc2ncnc3c4cc5c(C)cc(C)cc5nc4sc32)no1 ZINC000001327861 556773445 /nfs/dbraw/zinc/77/34/45/556773445.db2.gz PLPSAKQDAXFUQH-UHFFFAOYSA-N 0 0 435.534 5.037 40 5 IKBBRN Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409097551 556794985 /nfs/dbraw/zinc/79/49/85/556794985.db2.gz GXXFXQCBUWEDBQ-OYKKKHCWSA-N 0 0 441.512 5.992 40 5 IKBBRN CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409102665 556795919 /nfs/dbraw/zinc/79/59/19/556795919.db2.gz ZHVSEVYXYPFAET-UCQKPKSFSA-N 0 0 448.500 5.658 40 5 IKBBRN CCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409103715 556796089 /nfs/dbraw/zinc/79/60/89/556796089.db2.gz FFJWJGLAGBGUEI-FYJGNVAPSA-N 0 0 434.473 5.383 40 5 IKBBRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409099953 556796338 /nfs/dbraw/zinc/79/63/38/556796338.db2.gz SBHLLFKKQXFFAQ-XKZIYDEJSA-N 0 0 434.473 5.268 40 5 IKBBRN CCc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409110336 556800550 /nfs/dbraw/zinc/80/05/50/556800550.db2.gz URKSAGQSLAOREI-UHFFFAOYSA-N 0 0 426.900 6.010 40 5 IKBBRN Cc1cccc(NCc2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C ZINC000409111469 556801259 /nfs/dbraw/zinc/80/12/59/556801259.db2.gz IWEURXNZCHAUSL-UHFFFAOYSA-N 0 0 441.325 6.165 40 5 IKBBRN Cc1ccc(NCc2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 ZINC000409111305 556801808 /nfs/dbraw/zinc/80/18/08/556801808.db2.gz BMERHBDXCQWKMJ-UHFFFAOYSA-N 0 0 431.319 6.710 40 5 IKBBRN CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115753 556807358 /nfs/dbraw/zinc/80/73/58/556807358.db2.gz HACDICXHJCUYLR-UHFFFAOYSA-N 0 0 426.900 6.146 40 5 IKBBRN COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117572 556809876 /nfs/dbraw/zinc/80/98/76/556809876.db2.gz NVKJVDOFRSYCLC-UHFFFAOYSA-N 0 0 426.900 6.065 40 5 IKBBRN COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118245 556811785 /nfs/dbraw/zinc/81/17/85/556811785.db2.gz NNMNMHGPJKPCOL-UHFFFAOYSA-N 0 0 443.297 5.557 40 5 IKBBRN CCc1ccccc1NCc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409118357 556812019 /nfs/dbraw/zinc/81/20/19/556812019.db2.gz QDFYYKJXXXBGAT-UHFFFAOYSA-N 0 0 441.325 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O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 ZINC000205699054 556889699 /nfs/dbraw/zinc/88/96/99/556889699.db2.gz MGCAWMWIDVHHNF-HYARGMPZSA-N 0 0 446.484 5.410 40 5 IKBBRN Cc1ccc(NC(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)cc1 ZINC000408973902 556904919 /nfs/dbraw/zinc/90/49/19/556904919.db2.gz CIEPGXYRZHVKES-UHFFFAOYSA-N 0 0 446.539 5.997 40 5 IKBBRN S=C(Nc1ccc2sc3nc4ccccc4nc3c2c1)N1CC[C@H](c2ccccc2)C1 ZINC000408975482 556905994 /nfs/dbraw/zinc/90/59/94/556905994.db2.gz KYVKOYXKJFNTQL-KRWDZBQOSA-N 0 0 440.597 6.184 40 5 IKBBRN CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408976422 556906231 /nfs/dbraw/zinc/90/62/31/556906231.db2.gz RCVRIXCZXQATBA-UHFFFAOYSA-N 0 0 437.547 5.824 40 5 IKBBRN S=C(Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCCCCC1 ZINC000408978100 556907088 /nfs/dbraw/zinc/90/70/88/556907088.db2.gz YCJRDMUMGRQKIZ-UHFFFAOYSA-N 0 0 438.560 5.452 40 5 IKBBRN Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000409018400 556919760 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556987333 /nfs/dbraw/zinc/98/73/33/556987333.db2.gz MJYGAZAEEXMXCL-UHFFFAOYSA-N 0 0 428.238 5.507 40 5 IKBBRN O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000409182472 556990032 /nfs/dbraw/zinc/99/00/32/556990032.db2.gz LFXGFXHPTDCYNZ-UHFFFAOYSA-N 0 0 441.508 6.692 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000409182823 556990268 /nfs/dbraw/zinc/99/02/68/556990268.db2.gz OWMJKWKOQZBWHF-UHFFFAOYSA-N 0 0 428.784 5.306 40 5 IKBBRN CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCc3ccccc3[N+](=O)[O-])c2)cc1 ZINC000409176479 556995109 /nfs/dbraw/zinc/99/51/09/556995109.db2.gz ORDTZIVOUIDNHG-UHFFFAOYSA-N 0 0 432.476 5.502 40 5 IKBBRN O=C(OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)C(c1ccccc1)c1ccccc1 ZINC000409177663 556996163 /nfs/dbraw/zinc/99/61/63/556996163.db2.gz BRWVOPDHZOAXLI-UHFFFAOYSA-N 0 0 439.467 6.262 40 5 IKBBRN Cc1ccc(C(=O)OCc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1Br ZINC000409178531 556996757 /nfs/dbraw/zinc/99/67/57/556996757.db2.gz 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IKBBRN Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c([N+](=O)[O-])c1 ZINC000409181671 557002669 /nfs/dbraw/zinc/00/26/69/557002669.db2.gz FXJMXQGWDFKNCY-UHFFFAOYSA-N 0 0 441.281 5.497 40 5 IKBBRN O=C(O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1-c1ccccc1 ZINC000409182686 557002929 /nfs/dbraw/zinc/00/29/29/557002929.db2.gz NHTIJRNTVZZWTI-SANMLTNESA-N 0 0 437.451 6.043 40 5 IKBBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000409191032 557009682 /nfs/dbraw/zinc/00/96/82/557009682.db2.gz YYWUNSJTSAZWIE-YBFXNURJSA-N 0 0 440.864 6.058 40 5 IKBBRN Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 ZINC000409193225 557010107 /nfs/dbraw/zinc/01/01/07/557010107.db2.gz FTXHTZJCRTXULH-IZHYLOQSSA-N 0 0 429.501 5.378 40 5 IKBBRN O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000109412045 557015792 /nfs/dbraw/zinc/01/57/92/557015792.db2.gz UMFJBDOSKFYTRI-UHFFFAOYSA-N 0 0 446.444 5.546 40 5 IKBBRN O=C1S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1 ZINC000409212166 557024538 /nfs/dbraw/zinc/02/45/38/557024538.db2.gz PSFZPWHRTRFETH-LDADJPATSA-N 0 0 425.853 5.280 40 5 IKBBRN CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408554357 557037044 /nfs/dbraw/zinc/03/70/44/557037044.db2.gz RVYPSIOSEYPTLT-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408555500 557037215 /nfs/dbraw/zinc/03/72/15/557037215.db2.gz HACTXSOXXHAWAU-UHFFFAOYSA-N 0 0 447.318 6.491 40 5 IKBBRN O=[N+]([O-])c1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 ZINC000408558146 557038143 /nfs/dbraw/zinc/03/81/43/557038143.db2.gz QEURSABDAAXIIY-UHFFFAOYSA-N 0 0 437.710 6.746 40 5 IKBBRN O=C1CS[C@H](c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)N1c1ccc(Cl)cc1 ZINC000408558627 557038463 /nfs/dbraw/zinc/03/84/63/557038463.db2.gz VAJQLVWKGJADGB-JOCHJYFZSA-N 0 0 440.908 5.606 40 5 IKBBRN CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000408563701 557039097 /nfs/dbraw/zinc/03/90/97/557039097.db2.gz WRINLNVHSRLCFE-QOCHGBHMSA-N 0 0 436.320 5.501 40 5 IKBBRN CCc1s/c(=N\C(=O)c2ccc([N+](=O)[O-])cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 ZINC000408564118 557039104 /nfs/dbraw/zinc/03/91/04/557039104.db2.gz XXLAWCKKTYYWLN-GYHWCHFESA-N 0 0 443.956 5.718 40 5 IKBBRN O=C(COc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 ZINC000408560415 557039408 /nfs/dbraw/zinc/03/94/08/557039408.db2.gz ZGCIFPWFNUUYPL-UHFFFAOYSA-N 0 0 446.290 5.531 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n(CC)c1-c1ccc(C)cc1 ZINC000408560932 557039744 /nfs/dbraw/zinc/03/97/44/557039744.db2.gz FSWQCPVHQPUBHQ-GYHWCHFESA-N 0 0 443.956 5.800 40 5 IKBBRN CCCc1s/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2Cl)n(CC)c1-c1ccc(C)cc1 ZINC000408561534 557040022 /nfs/dbraw/zinc/04/00/22/557040022.db2.gz JHEPGAWZOLNQMS-GYHWCHFESA-N 0 0 443.956 5.800 40 5 IKBBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc(Br)c1OCC ZINC000408565497 557041636 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XEXHAOCWBZNCMM-GRSHGNNSSA-N 0 0 442.399 5.370 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000408609912 557064794 /nfs/dbraw/zinc/06/47/94/557064794.db2.gz PKGUGCMIYLZDFZ-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN Cc1ccc(NC(=O)COc2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000408613037 557067594 /nfs/dbraw/zinc/06/75/94/557067594.db2.gz WPSMEQNGMBSODA-UHFFFAOYSA-N 0 0 425.872 5.186 40 5 IKBBRN Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cc3C=O)nnc2-c2ccccc2O)c(C)c1 ZINC000408602101 557068570 /nfs/dbraw/zinc/06/85/70/557068570.db2.gz AIZOHSYHSVUFRT-UHFFFAOYSA-N 0 0 446.488 5.129 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000408602984 557068850 /nfs/dbraw/zinc/06/88/50/557068850.db2.gz ABRMUMGBVVUNSC-UHFFFAOYSA-N 0 0 447.716 6.202 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C1=O ZINC000409341802 557069323 /nfs/dbraw/zinc/06/93/23/557069323.db2.gz FSRVSSWZJLFYAC-BOPFTXTBSA-N 0 0 434.926 5.846 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000408605850 557069502 /nfs/dbraw/zinc/06/95/02/557069502.db2.gz GYBSILNVTOWVGD-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN COc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)cc2)c1 ZINC000408618757 557075351 /nfs/dbraw/zinc/07/53/51/557075351.db2.gz GJOKYAVIDAARDJ-UHFFFAOYSA-N 0 0 449.846 6.540 40 5 IKBBRN CCCOc1c(Br)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000408618867 557075404 /nfs/dbraw/zinc/07/54/04/557075404.db2.gz HKDSETITAATIBZ-UHFFFAOYSA-N 0 0 437.290 5.106 40 5 IKBBRN COc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)cc2)c1 ZINC000408619576 557075559 /nfs/dbraw/zinc/07/55/59/557075559.db2.gz JKRXNOPNJVNGJU-UHFFFAOYSA-N 0 0 449.846 6.540 40 5 IKBBRN O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1 ZINC000409349297 557077510 /nfs/dbraw/zinc/07/75/10/557077510.db2.gz VOSGENSDEPOGLS-AREMUKBSSA-N 0 0 435.483 5.961 40 5 IKBBRN CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409249454 557080644 /nfs/dbraw/zinc/08/06/44/557080644.db2.gz JEWWXLZTCPYRAD-UHFFFAOYSA-N 0 0 448.391 5.010 40 5 IKBBRN CCCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409247551 557080677 /nfs/dbraw/zinc/08/06/77/557080677.db2.gz CYGIFLXNRDCZNM-GIDUJCDVSA-N 0 0 427.265 5.608 40 5 IKBBRN Cc1ccc(-c2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2C)cc1 ZINC000408694992 557106200 /nfs/dbraw/zinc/10/62/00/557106200.db2.gz NNIILRLXVGURQQ-UHFFFAOYSA-N 0 0 427.464 5.020 40 5 IKBBRN Cc1cccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2ccc(Cl)cc2)c1C ZINC000408695267 557106491 /nfs/dbraw/zinc/10/64/91/557106491.db2.gz PAPOTMNGPMHCDJ-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN Cc1ccc(-n2nc(C(=O)Nc3cccc([N+](=O)[O-])c3)nc2-c2cccc(Cl)c2)c(C)c1 ZINC000408695332 557106502 /nfs/dbraw/zinc/10/65/02/557106502.db2.gz PZZRUJFHJNPRRU-UHFFFAOYSA-N 0 0 447.882 5.365 40 5 IKBBRN O=C(Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000014920549 557120940 /nfs/dbraw/zinc/12/09/40/557120940.db2.gz BKSPLNHZOXNWIE-UHFFFAOYSA-N 0 0 437.455 5.826 40 5 IKBBRN COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-] ZINC000021124374 557135965 /nfs/dbraw/zinc/13/59/65/557135965.db2.gz YZOXJZOQYPRHHO-VQHVLOKHSA-N 0 0 443.799 5.077 40 5 IKBBRN O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000408721927 557136156 /nfs/dbraw/zinc/13/61/56/557136156.db2.gz BKJUXTCGFCHHMF-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN O=c1[nH]c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)nc2sc3c(c21)CCCC3 ZINC000408734684 557142366 /nfs/dbraw/zinc/14/23/66/557142366.db2.gz IOCXCESHZIHPQE-UHFFFAOYSA-N 0 0 433.489 5.430 40 5 IKBBRN O=C1S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 ZINC000408734751 557142405 /nfs/dbraw/zinc/14/24/05/557142405.db2.gz DANGLXPDMQNJBI-WOJGMQOQSA-N 0 0 426.837 5.749 40 5 IKBBRN O=C1c2cccc3c(Nc4ccc(Cl)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1 ZINC000408755895 557168075 /nfs/dbraw/zinc/16/80/75/557168075.db2.gz GFDDJRPQVYIHAX-UHFFFAOYSA-N 0 0 443.846 5.946 40 5 IKBBRN Cc1ccc(Cl)cc1NC1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000408803028 557213720 /nfs/dbraw/zinc/21/37/20/557213720.db2.gz KMRDQPDSDAFDSG-UHFFFAOYSA-N 0 0 440.888 5.580 40 5 IKBBRN COc1ccc(C)cc1NC1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000408809549 557220995 /nfs/dbraw/zinc/22/09/95/557220995.db2.gz OHGHBTHRRKFNOZ-UHFFFAOYSA-N 0 0 425.533 6.073 40 5 IKBBRN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000022396280 557221498 /nfs/dbraw/zinc/22/14/98/557221498.db2.gz MSVYISAJZAHTBO-UHFFFAOYSA-N 0 0 439.624 5.662 40 5 IKBBRN O=C1S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1c1ccccc1 ZINC000408819183 557232590 /nfs/dbraw/zinc/23/25/90/557232590.db2.gz ZYLURHYPYZPHRG-STZFKDTASA-N 0 0 432.457 5.415 40 5 IKBBRN COc1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccc(C)cc2)s1 ZINC000408823847 557238299 /nfs/dbraw/zinc/23/82/99/557238299.db2.gz FOJSVNRBXPQZMV-UHFFFAOYSA-N 0 0 445.500 5.955 40 5 IKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)CC1 ZINC000057313381 557244662 /nfs/dbraw/zinc/24/46/62/557244662.db2.gz JNMWQKJSGQHRFX-UHFFFAOYSA-N 0 0 436.556 5.320 40 5 IKBBRN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1cccc(Cl)c1 ZINC000408832928 557249460 /nfs/dbraw/zinc/24/94/60/557249460.db2.gz SFMVLTWSQQWSAA-UHFFFAOYSA-N 0 0 435.892 6.291 40 5 IKBBRN O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014272943 557332037 /nfs/dbraw/zinc/33/20/37/557332037.db2.gz SIIHZGFTVXSGMJ-UHFFFAOYSA-N 0 0 449.894 5.332 40 5 IKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000014270701 557332327 /nfs/dbraw/zinc/33/23/27/557332327.db2.gz JMTYYUIACOARPN-UHFFFAOYSA-N 0 0 446.488 5.147 40 5 IKBBRN COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000014272310 557332607 /nfs/dbraw/zinc/33/26/07/557332607.db2.gz KFRIRNLUXRKCMZ-YRNVUSSQSA-N 0 0 449.850 5.717 40 5 IKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1ccccc1Br ZINC000072229234 557343529 /nfs/dbraw/zinc/34/35/29/557343529.db2.gz XGGAKYIDQMLLFM-UHFFFAOYSA-N 0 0 438.709 5.253 40 5 IKBBRN CCN(CC)c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1[N+](=O)[O-] ZINC000072229272 557343538 /nfs/dbraw/zinc/34/35/38/557343538.db2.gz SDRFWNIKBBDGGK-UHFFFAOYSA-N 0 0 426.698 5.109 40 5 IKBBRN O=C(Nc1cc(N2CCCCC2)c([N+](=O)[O-])cc1Cl)c1cccc(Br)c1 ZINC000072229279 557343561 /nfs/dbraw/zinc/34/35/61/557343561.db2.gz ZRNSHJQNHRXUOY-UHFFFAOYSA-N 0 0 438.709 5.253 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c([N+](=O)[O-])c1 ZINC000210201387 557347384 /nfs/dbraw/zinc/34/73/84/557347384.db2.gz TZALXKMQRGGIGK-ODLFYWEKSA-N 0 0 440.864 6.058 40 5 IKBBRN CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(C(C)C)cc2)cc1 ZINC000408577063 557419448 /nfs/dbraw/zinc/41/94/48/557419448.db2.gz YNGBPKXQUSRQLR-OAQYLSRUSA-N 0 0 426.542 5.208 40 5 IKBBRN CCCCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000408574706 557419648 /nfs/dbraw/zinc/41/96/48/557419648.db2.gz KDTZRFZNJQQXQJ-HKOYGPOVSA-N 0 0 444.487 5.731 40 5 IKBBRN CCOc1cc(Br)c([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC ZINC000408577490 557420035 /nfs/dbraw/zinc/42/00/35/557420035.db2.gz ZQAGPJIDXMCADN-INIZCTEOSA-N 0 0 433.302 5.136 40 5 IKBBRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000408580937 557420283 /nfs/dbraw/zinc/42/02/83/557420283.db2.gz FIRBYFSNWDSHFS-UHFFFAOYSA-N 0 0 428.901 5.053 40 5 IKBBRN O=[N+]([O-])c1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408612251 557421942 /nfs/dbraw/zinc/42/19/42/557421942.db2.gz VBEBXQNQWDNDOV-UHFFFAOYSA-N 0 0 431.261 5.688 40 5 IKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408621660 557422198 /nfs/dbraw/zinc/42/21/98/557422198.db2.gz PCFJTAMQBYDWIR-UHFFFAOYSA-N 0 0 434.835 6.553 40 5 IKBBRN O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408621633 557422221 /nfs/dbraw/zinc/42/22/21/557422221.db2.gz OWZOLYSAZCCKHG-UHFFFAOYSA-N 0 0 434.835 6.553 40 5 IKBBRN COc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408613094 557422251 /nfs/dbraw/zinc/42/22/51/557422251.db2.gz XKPGQPIAHFLFGS-UHFFFAOYSA-N 0 0 433.291 6.101 40 5 IKBBRN O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408624322 557422520 /nfs/dbraw/zinc/42/25/20/557422520.db2.gz VNSHLMKGLDWGAQ-UHFFFAOYSA-N 0 0 439.624 5.662 40 5 IKBBRN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000014270483 557429826 /nfs/dbraw/zinc/42/98/26/557429826.db2.gz URMLZAHGRZGUCA-UHFFFAOYSA-N 0 0 448.529 5.307 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)C=Cc1ccc(Cl)cc1Cl ZINC000014271070 557430267 /nfs/dbraw/zinc/43/02/67/557430267.db2.gz DXLLUWOKLOYDJG-HWKANZROSA-N 0 0 444.727 5.390 40 5 IKBBRN Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1[N+](=O)[O-] ZINC000014272144 557431501 /nfs/dbraw/zinc/43/15/01/557431501.db2.gz NMZLERCJXIYNTD-UHFFFAOYSA-N 0 0 442.258 6.271 40 5 IKBBRN Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000014272358 557431721 /nfs/dbraw/zinc/43/17/21/557431721.db2.gz WVOICVUKGMJCBU-UXBLZVDNSA-N 0 0 447.878 6.325 40 5 IKBBRN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000014272473 557431886 /nfs/dbraw/zinc/43/18/86/557431886.db2.gz BTWQWCQZVRHCKE-UHFFFAOYSA-N 0 0 444.516 5.724 40 5 IKBBRN O=[N+]([O-])/C=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 ZINC000033650536 557469590 /nfs/dbraw/zinc/46/95/90/557469590.db2.gz HFFCDRSYGJQDGC-SNAWJCMRSA-N 0 0 431.055 5.177 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1Cc1ccc(Cl)cc1 ZINC000106687855 557531184 /nfs/dbraw/zinc/53/11/84/557531184.db2.gz IWHADDXGIQWEBI-ODLFYWEKSA-N 0 0 440.864 5.745 40 5 IKBBRN O=C1S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1 ZINC000106691083 557531380 /nfs/dbraw/zinc/53/13/80/557531380.db2.gz NMRYHCBZSNGQCR-UUASQNMZSA-N 0 0 427.240 5.277 40 5 IKBBRN O=C1S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1Cc1c(F)cccc1Cl ZINC000106735252 557531862 /nfs/dbraw/zinc/53/18/62/557531862.db2.gz XKXXNTDRABQQIN-CHHVJCJISA-N 0 0 427.240 5.277 40 5 IKBBRN O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] ZINC000106727601 557532158 /nfs/dbraw/zinc/53/21/58/557532158.db2.gz XSRLDCYQOFVUOR-PDGQHHTCSA-N 0 0 438.486 5.576 40 5 IKBBRN CCOC(=O)c1sc2c(c1NC(=O)c1ccc(-c3ccccc3[N+](=O)[O-])o1)CCCC2 ZINC000000851924 557830625 /nfs/dbraw/zinc/83/06/25/557830625.db2.gz MMKMZAGQMJTRBF-UHFFFAOYSA-N 0 0 440.477 5.224 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(C(=O)Nc2cccc3ccccc32)cc1 ZINC000000861614 557831851 /nfs/dbraw/zinc/83/18/51/557831851.db2.gz HZCNDZCDEMMXLY-LFIBNONCSA-N 0 0 437.455 5.652 40 5 IKBBRN C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc2c(c1)CCCC2 ZINC000222906887 568737178 /nfs/dbraw/zinc/73/71/78/568737178.db2.gz DAQSZUGGZLMDKP-OJWZXOLNSA-N 0 0 426.516 5.892 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 ZINC000223123115 568779685 /nfs/dbraw/zinc/77/96/85/568779685.db2.gz UXYBJPIJPMNALY-DHIUTWEWSA-N 0 0 448.548 5.555 40 5 IKBBRN O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 ZINC000223110572 568779687 /nfs/dbraw/zinc/77/96/87/568779687.db2.gz FNRYYTHDSWAEPR-XZOQPEGZSA-N 0 0 447.564 5.086 40 5 IKBBRN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl ZINC000025782801 568780190 /nfs/dbraw/zinc/78/01/90/568780190.db2.gz OUJSBPXCOCNVOQ-DENIHFKCSA-N 0 0 440.286 6.144 40 5 IKBBRN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)ccc1Cl ZINC000025782799 568780263 /nfs/dbraw/zinc/78/02/63/568780263.db2.gz OUJSBPXCOCNVOQ-SIKLNZKXSA-N 0 0 440.286 6.144 40 5 IKBBRN Cc1ccc2nc(-c3ccc(-n4c(=O)c5ccccc5c5ccccc5c4=O)cc3)sc2c1 ZINC000003064873 568790063 /nfs/dbraw/zinc/79/00/63/568790063.db2.gz HFAGVJDGLXSGTB-UHFFFAOYSA-N 0 0 446.531 6.089 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 ZINC000223361894 568819661 /nfs/dbraw/zinc/81/96/61/568819661.db2.gz WXYMBGYDLHJHOZ-YADHBBJMSA-N 0 0 446.488 5.016 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 ZINC000223368345 568819880 /nfs/dbraw/zinc/81/98/80/568819880.db2.gz MXQMVAMACHJYSN-FGZHOGPDSA-N 0 0 446.488 5.016 40 5 IKBBRN Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000026124489 568851481 /nfs/dbraw/zinc/85/14/81/568851481.db2.gz MGMSOQICGZKRMD-UHFFFAOYSA-N 0 0 442.262 5.196 40 5 IKBBRN O=C(NCCOc1ccc2ccccc2c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000223582546 568875758 /nfs/dbraw/zinc/87/57/58/568875758.db2.gz SMEVHNYOYMOLLR-NLRVBDNBSA-N 0 0 438.483 5.484 40 5 IKBBRN c1sc(-c2cc3c(ccc4ccccc43)o/c2=N\c2ccccc2)nc1-c1ccccc1 ZINC000102932739 568890822 /nfs/dbraw/zinc/89/08/22/568890822.db2.gz AOAZUEYXUNCFMI-OHYPFYFLSA-N 0 0 430.532 7.609 40 5 IKBBRN O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016429458 568900298 /nfs/dbraw/zinc/90/02/98/568900298.db2.gz KRWSRHPOGYWEEL-YVLHZVERSA-N 0 0 429.215 5.506 40 5 IKBBRN O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 ZINC000224181186 568915413 /nfs/dbraw/zinc/91/54/13/568915413.db2.gz SHIPMSQTVFILIN-XZOQPEGZSA-N 0 0 442.500 5.427 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 ZINC000224189319 568915426 /nfs/dbraw/zinc/91/54/26/568915426.db2.gz XRYZMVSGEUAXHO-GOTSBHOMSA-N 0 0 442.500 5.427 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224184263 568915531 /nfs/dbraw/zinc/91/55/31/568915531.db2.gz CJIBRPXSXJINIB-UHFFFAOYSA-N 0 0 434.492 5.732 40 5 IKBBRN O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 ZINC000224189056 568915558 /nfs/dbraw/zinc/91/55/58/568915558.db2.gz OLTSMJAHAFAZCD-GOTSBHOMSA-N 0 0 442.500 5.427 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000001861318 568916805 /nfs/dbraw/zinc/91/68/05/568916805.db2.gz VDXORODIYDGSCG-AWEZNQCLSA-N 0 0 449.894 6.822 40 5 IKBBRN COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc2ccccc2c1 ZINC000224316011 568917805 /nfs/dbraw/zinc/91/78/05/568917805.db2.gz XXHQOFPLRNMMNP-UHFFFAOYSA-N 0 0 428.444 5.588 40 5 IKBBRN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2c(cccc2[N+](=O)[O-])c1Cl ZINC000016525150 568920703 /nfs/dbraw/zinc/92/07/03/568920703.db2.gz HXJTZKUUOUFZGF-UHFFFAOYSA-N 0 0 448.891 6.259 40 5 IKBBRN CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000001946339 568923688 /nfs/dbraw/zinc/92/36/88/568923688.db2.gz PKZAADMPWWSSNN-CQSZACIVSA-N 0 0 430.526 5.236 40 5 IKBBRN CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 ZINC000016607927 568925602 /nfs/dbraw/zinc/92/56/02/568925602.db2.gz DSVRESOZAXSXSK-HSZRJFAPSA-N 0 0 429.505 5.536 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000016610724 568925616 /nfs/dbraw/zinc/92/56/16/568925616.db2.gz RFHVTEJLMLABIZ-INIZCTEOSA-N 0 0 445.475 5.934 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000016610811 568925618 /nfs/dbraw/zinc/92/56/18/568925618.db2.gz DQMAFTLRCCLWQP-CQSZACIVSA-N 0 0 449.894 6.822 40 5 IKBBRN CCCc1nc2ccc([N+](=O)[O-])cc2c(=O)n1Cc1ccc(-c2cccc(C(C)=O)c2)cc1 ZINC000006501590 568927819 /nfs/dbraw/zinc/92/78/19/568927819.db2.gz HKLBVPXGCUJDSL-UHFFFAOYSA-N 0 0 441.487 5.175 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1COc1ccccc1Cl ZINC000224483138 568928022 /nfs/dbraw/zinc/92/80/22/568928022.db2.gz XFHQGJHLHKDMHB-UHFFFAOYSA-N 0 0 440.883 5.787 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1ccc(C(C)(C)C)cc1 ZINC000224524151 568937202 /nfs/dbraw/zinc/93/72/02/568937202.db2.gz KMVRTVQTKLSACV-UHFFFAOYSA-N 0 0 448.519 6.122 40 5 IKBBRN COC(=O)[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])c(-n2c3ccccc3c3ccccc32)c1 ZINC000169803925 569109372 /nfs/dbraw/zinc/10/93/72/569109372.db2.gz WRFFPASSLHCGAS-SANMLTNESA-N 0 0 436.467 5.997 40 5 IKBBRN COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)c3ccccc3n2)cc1 ZINC000007060169 569127925 /nfs/dbraw/zinc/12/79/25/569127925.db2.gz ZRUOCORHCGCLRA-UHFFFAOYSA-N 0 0 429.432 5.080 40 5 IKBBRN Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000017096470 569172738 /nfs/dbraw/zinc/17/27/38/569172738.db2.gz VQJDDSNTGXGGIS-UHFFFAOYSA-N 0 0 429.480 5.321 40 5 IKBBRN O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000017096288 569172832 /nfs/dbraw/zinc/17/28/32/569172832.db2.gz JXRMLOWPNSLVSX-UHFFFAOYSA-N 0 0 429.219 5.357 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000017096455 569172934 /nfs/dbraw/zinc/17/29/34/569172934.db2.gz LQTKDINVZZVORE-HNNXBMFYSA-N 0 0 429.476 6.477 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000017094619 569173065 /nfs/dbraw/zinc/17/30/65/569173065.db2.gz NIEDRTXUAMETKK-JXMROGBWSA-N 0 0 425.853 5.770 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000017099741 569173267 /nfs/dbraw/zinc/17/32/67/569173267.db2.gz QQRMSNJRCXXYKG-DHZHZOJOSA-N 0 0 435.892 6.177 40 5 IKBBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 ZINC000017098741 569173277 /nfs/dbraw/zinc/17/32/77/569173277.db2.gz KDYRPBUGTGMYNY-UHFFFAOYSA-N 0 0 434.304 5.490 40 5 IKBBRN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000017103272 569173461 /nfs/dbraw/zinc/17/34/61/569173461.db2.gz OQDLLTQBSXZNQF-UHFFFAOYSA-N 0 0 439.427 5.574 40 5 IKBBRN COc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc2ccccc2c1Br ZINC000017099703 569173517 /nfs/dbraw/zinc/17/35/17/569173517.db2.gz KJLAJVLSXIETFI-UHFFFAOYSA-N 0 0 435.661 5.425 40 5 IKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000017098297 569173528 /nfs/dbraw/zinc/17/35/28/569173528.db2.gz LVJRTAQTFVEVEB-WEVVVXLNSA-N 0 0 433.247 5.822 40 5 IKBBRN COc1ccc([N+](=O)[O-])cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl ZINC000017098626 569173537 /nfs/dbraw/zinc/17/35/37/569173537.db2.gz UVHCLHUXLIGALY-UHFFFAOYSA-N 0 0 433.675 5.198 40 5 IKBBRN COc1c(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc2ccccc2c1Br ZINC000017099704 569173564 /nfs/dbraw/zinc/17/35/64/569173564.db2.gz QVZFOSDJIOLXNM-UHFFFAOYSA-N 0 0 435.661 5.425 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-c1nc2ccccc2s1 ZINC000017099750 569173746 /nfs/dbraw/zinc/17/37/46/569173746.db2.gz OCSGWEPPYLGQHW-ZRDIBKRKSA-N 0 0 435.892 6.177 40 5 IKBBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000017101663 569173754 /nfs/dbraw/zinc/17/37/54/569173754.db2.gz ZGCXGUGWFGUPBT-XBXARRHUSA-N 0 0 437.666 6.467 40 5 IKBBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3cccc4ccccc43)nc2c1 ZINC000017099483 569173925 /nfs/dbraw/zinc/17/39/25/569173925.db2.gz CNLVCVYTYSJHEP-SDNWHVSQSA-N 0 0 435.439 6.208 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1COc1ccc(C)c(C)c1 ZINC000224626162 569175746 /nfs/dbraw/zinc/17/57/46/569175746.db2.gz YZSJIFWHSDHVJE-UHFFFAOYSA-N 0 0 434.492 5.750 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1COc1cccc2ccccc21 ZINC000224633668 569177078 /nfs/dbraw/zinc/17/70/78/569177078.db2.gz UJDYHAAHJHFGJA-UHFFFAOYSA-N 0 0 442.471 5.978 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CSc1ccc(C)cc1 ZINC000224667821 569179096 /nfs/dbraw/zinc/17/90/96/569179096.db2.gz CBUZGNYGYGKIHK-UHFFFAOYSA-N 0 0 436.533 6.155 40 5 IKBBRN CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CSc1ccc(Cl)cc1 ZINC000224676751 569179554 /nfs/dbraw/zinc/17/95/54/569179554.db2.gz UWFCGAJXGVAENE-UHFFFAOYSA-N 0 0 442.924 6.192 40 5 IKBBRN COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc([N+](=O)[O-])c3C)o2)c1 ZINC000224904431 569190714 /nfs/dbraw/zinc/19/07/14/569190714.db2.gz OGZXQJHXPULDEI-UHFFFAOYSA-N 0 0 429.432 5.486 40 5 IKBBRN O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 ZINC000225032587 569213742 /nfs/dbraw/zinc/21/37/42/569213742.db2.gz AMBKQDYQHVDREW-FCHUYYIVSA-N 0 0 434.521 5.165 40 5 IKBBRN CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O ZINC000215028980 569214014 /nfs/dbraw/zinc/21/40/14/569214014.db2.gz GHSVYCWFOBLGEZ-LPYMAVHISA-N 0 0 448.500 5.772 40 5 IKBBRN CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1 ZINC000008812541 569219248 /nfs/dbraw/zinc/21/92/48/569219248.db2.gz AODYWRTYUORRMA-UHFFFAOYSA-N 0 0 446.916 5.327 40 5 IKBBRN Cc1ccc(N(C)C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)cc1C ZINC000033560058 569244563 /nfs/dbraw/zinc/24/45/63/569244563.db2.gz NQDOBJRPFAPIKY-UHFFFAOYSA-N 0 0 428.586 6.448 40 5 IKBBRN O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1sc2cc(Cl)ccc2c1Cl ZINC000033629965 569245114 /nfs/dbraw/zinc/24/51/14/569245114.db2.gz HXDFHQDMOGRJRZ-UHFFFAOYSA-N 0 0 426.306 5.243 40 5 IKBBRN CCOc1c(Cl)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 ZINC000033701599 569245878 /nfs/dbraw/zinc/24/58/78/569245878.db2.gz QARIWAACDRYMKH-UHFFFAOYSA-N 0 0 426.856 5.478 40 5 IKBBRN Cc1ccc(N(C)C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)cc1C ZINC000033713775 569245992 /nfs/dbraw/zinc/24/59/92/569245992.db2.gz NWTLBTHRJHUKEL-UHFFFAOYSA-N 0 0 443.510 5.773 40 5 IKBBRN O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000033731481 569246171 /nfs/dbraw/zinc/24/61/71/569246171.db2.gz SCDCRJUTQQZLGL-UHFFFAOYSA-N 0 0 428.920 5.091 40 5 IKBBRN O=[N+]([O-])c1cccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)c1 ZINC000033730911 569246200 /nfs/dbraw/zinc/24/62/00/569246200.db2.gz QGIBYVHBQQLKGO-UHFFFAOYSA-N 0 0 435.343 5.098 40 5 IKBBRN Cc1cccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(Cl)cc2)c1 ZINC000033736688 569246320 /nfs/dbraw/zinc/24/63/20/569246320.db2.gz FFTNKIXVATZWMM-UHFFFAOYSA-N 0 0 436.924 6.097 40 5 IKBBRN Cc1cccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nnc2-c2ccc(Cl)cc2)c1 ZINC000033795197 569246935 /nfs/dbraw/zinc/24/69/35/569246935.db2.gz OTGTXGBYUZWBGD-UHFFFAOYSA-N 0 0 436.924 6.097 40 5 IKBBRN CC1CCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 ZINC000106381111 569250445 /nfs/dbraw/zinc/25/04/45/569250445.db2.gz QGCXCLGTOGVBQQ-UHFFFAOYSA-N 0 0 438.560 5.308 40 5 IKBBRN CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 ZINC000107597948 569250582 /nfs/dbraw/zinc/25/05/82/569250582.db2.gz QRQJFGMZTRCFHP-UHFFFAOYSA-N 0 0 426.856 5.478 40 5 IKBBRN O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000107633125 569250706 /nfs/dbraw/zinc/25/07/06/569250706.db2.gz HGEYSGVKUCUJON-UHFFFAOYSA-N 0 0 436.276 5.288 40 5 IKBBRN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1C ZINC000108135248 569252465 /nfs/dbraw/zinc/25/24/65/569252465.db2.gz OVVMSQIEEXOXCK-UHFFFAOYSA-N 0 0 429.885 5.252 40 5 IKBBRN O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000108906918 569253042 /nfs/dbraw/zinc/25/30/42/569253042.db2.gz AQPRMXCPPDVWAN-UHFFFAOYSA-N 0 0 436.276 5.288 40 5 IKBBRN Nc1c2cc3c(nc2sc1C(=O)c1ccc([N+](=O)[O-])cc1)CC[C@@H](c1ccccc1)C3 ZINC000147835502 569255173 /nfs/dbraw/zinc/25/51/73/569255173.db2.gz YPONQXPNSASAQA-MRXNPFEDSA-N 0 0 429.501 5.290 40 5 IKBBRN O=C(CN1C(=O)S/C(=C/c2c3ccccc3cc3ccccc32)C1=O)Nc1ccccc1 ZINC000210806760 569259030 /nfs/dbraw/zinc/25/90/30/569259030.db2.gz CFZFWKCWZPFBFN-HZHRSRAPSA-N 0 0 438.508 5.668 40 5 IKBBRN CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1[C@@H]1OCCCN1Cc1ccc(Cl)cc1 ZINC000253576035 569284350 /nfs/dbraw/zinc/28/43/50/569284350.db2.gz VIDVLQXJVHJTQA-RDPSFJRHSA-N 0 0 443.975 5.938 40 5 IKBBRN CC[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(OC)c(C)c1 ZINC000225311655 569289101 /nfs/dbraw/zinc/28/91/01/569289101.db2.gz OZXHVDLXIKHYFH-ICBIFTLVSA-N 0 0 430.504 5.720 40 5 IKBBRN Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)c3)oc2cc1C ZINC000008832010 569291020 /nfs/dbraw/zinc/29/10/20/569291020.db2.gz OWDIJFLFWBAHOI-VQHVLOKHSA-N 0 0 447.878 6.325 40 5 IKBBRN Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)c1 ZINC000008832092 569291037 /nfs/dbraw/zinc/29/10/37/569291037.db2.gz HSFYYOSHTUPHLG-XBXARRHUSA-N 0 0 447.878 6.325 40 5 IKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 ZINC000008832669 569291080 /nfs/dbraw/zinc/29/10/80/569291080.db2.gz KKYYDTMFRICYOX-UHFFFAOYSA-N 0 0 442.947 5.337 40 5 IKBBRN COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000008902955 569292233 /nfs/dbraw/zinc/29/22/33/569292233.db2.gz KIOPCIJVRZFORC-UHFFFAOYSA-N 0 0 431.448 5.787 40 5 IKBBRN Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc([N+](=O)[O-])cc4Cl)OC3=O)cc2)cc1 ZINC000008990018 569292679 /nfs/dbraw/zinc/29/26/79/569292679.db2.gz JEFOPOKNXMQEET-UUYOSTAYSA-N 0 0 448.862 5.480 40 5 IKBBRN O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccc(Cl)cc1Cl ZINC000008989982 569292685 /nfs/dbraw/zinc/29/26/85/569292685.db2.gz WHIDVRODEZZIDD-UHFFFAOYSA-N 0 0 430.247 5.406 40 5 IKBBRN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000009010163 569292791 /nfs/dbraw/zinc/29/27/91/569292791.db2.gz ZVSSPOMBXDGEMG-UHFFFAOYSA-N 0 0 445.700 5.858 40 5 IKBBRN COc1ccc([C@@H](Nc2ccc(N)c([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1 ZINC000065090437 569292795 /nfs/dbraw/zinc/29/27/95/569292795.db2.gz CUNMYKRVYKXTTA-FQEVSTJZSA-N 0 0 437.433 5.339 40 5 IKBBRN COc1ccc(N2C(=O)CC[C@H](Sc3ccc([N+](=O)[O-])cc3)[C@H]2c2ccccc2)cc1 ZINC000065090587 569292802 /nfs/dbraw/zinc/29/28/02/569292802.db2.gz KUPPPQBRTMFCBP-LADGPHEKSA-N 0 0 434.517 5.632 40 5 IKBBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000065090440 569292835 /nfs/dbraw/zinc/29/28/35/569292835.db2.gz XBIUSDCNAPWSJE-UHFFFAOYSA-N 0 0 438.284 5.065 40 5 IKBBRN CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000009064940 569293386 /nfs/dbraw/zinc/29/33/86/569293386.db2.gz YZUJWSOLCHXQGF-BJMVGYQFSA-N 0 0 448.342 5.007 40 5 IKBBRN CC(C)(C)c1ccc(-c2nc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000009199682 569294210 /nfs/dbraw/zinc/29/42/10/569294210.db2.gz YXGUNRWTCSDDFB-UHFFFAOYSA-N 0 0 445.932 5.062 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(-c4ccccc4Cl)o3)nc21 ZINC000010010632 569299067 /nfs/dbraw/zinc/29/90/67/569299067.db2.gz JBBBHFSJBMTGDO-UHFFFAOYSA-N 0 0 429.841 5.379 40 5 IKBBRN COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc21 ZINC000010010572 569299072 /nfs/dbraw/zinc/29/90/72/569299072.db2.gz JLEYPQFMFKHZSV-UHFFFAOYSA-N 0 0 435.461 5.044 40 5 IKBBRN O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000010120103 569299276 /nfs/dbraw/zinc/29/92/76/569299276.db2.gz MKOQJOUQQCZZMV-UHFFFAOYSA-N 0 0 439.427 5.839 40 5 IKBBRN Cc1cc2nc(-c3ccc(CNC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)oc2cc1C ZINC000010120371 569299443 /nfs/dbraw/zinc/29/94/43/569299443.db2.gz GONRKNSOLNWNIU-UHFFFAOYSA-N 0 0 435.867 5.603 40 5 IKBBRN Cc1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1-c1cc2ccccc2oc1=O ZINC000010128898 569299448 /nfs/dbraw/zinc/29/94/48/569299448.db2.gz UEWJGVRRLZFOEB-FMIVXFBMSA-N 0 0 426.428 5.329 40 5 IKBBRN Cc1cc(-c2nc3ccccc3[nH]2)ccc1NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000010372877 569299892 /nfs/dbraw/zinc/29/98/92/569299892.db2.gz WNSRUAOHZDUYKL-UHFFFAOYSA-N 0 0 440.503 5.897 40 5 IKBBRN Cc1nc2ccccc2c2c(NC(=O)COc3ccc(F)cc3Cl)c3ccccc3n21 ZINC000013096893 569309574 /nfs/dbraw/zinc/30/95/74/569309574.db2.gz DDLMVGDRQLJUJB-UHFFFAOYSA-N 0 0 433.870 5.759 40 5 IKBBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)o1 ZINC000013371659 569314367 /nfs/dbraw/zinc/31/43/67/569314367.db2.gz SXVGNSPTWZHPAT-UHFFFAOYSA-N 0 0 441.443 5.668 40 5 IKBBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc32)cc1[N+](=O)[O-] ZINC000013389658 569315294 /nfs/dbraw/zinc/31/52/94/569315294.db2.gz YOTCXJDWZLPYCM-UHFFFAOYSA-N 0 0 430.489 5.244 40 5 IKBBRN COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3OC)[nH]2)c(OC)c1 ZINC000013388702 569315352 /nfs/dbraw/zinc/31/53/52/569315352.db2.gz YKAQUTJYGOJGHJ-UHFFFAOYSA-N 0 0 431.448 5.345 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(/Cl)c2ccccc2)cc1/C=C(/Cl)c1ccccc1 ZINC000013402334 569315494 /nfs/dbraw/zinc/31/54/94/569315494.db2.gz PBRPOONQQCXZRL-KVOOEGMKSA-N 0 0 441.270 6.977 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000019634938 569324031 /nfs/dbraw/zinc/32/40/31/569324031.db2.gz HBEVLPIJJFUQQF-CSKARUKUSA-N 0 0 441.896 5.343 40 5 IKBBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)o2)cc1Cl ZINC000019630689 569324058 /nfs/dbraw/zinc/32/40/58/569324058.db2.gz ARCFAERZBPZXLP-RMKNXTFCSA-N 0 0 439.880 6.078 40 5 IKBBRN CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 ZINC000019630726 569324113 /nfs/dbraw/zinc/32/41/13/569324113.db2.gz NGGAYXOPUAPWFC-UHFFFAOYSA-N 0 0 439.899 5.997 40 5 IKBBRN CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 ZINC000019629616 569324141 /nfs/dbraw/zinc/32/41/41/569324141.db2.gz UPNOYJGDSYSORD-CYBMUJFWSA-N 0 0 439.493 5.201 40 5 IKBBRN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1-c1nc2ccccc2s1 ZINC000019630695 569324192 /nfs/dbraw/zinc/32/41/92/569324192.db2.gz RSZGBGBPHBLETM-UHFFFAOYSA-N 0 0 439.880 5.542 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000019643275 569324860 /nfs/dbraw/zinc/32/48/60/569324860.db2.gz VDVYTHSDPIFYAT-INIZCTEOSA-N 0 0 445.475 5.934 40 5 IKBBRN CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000019643266 569325055 /nfs/dbraw/zinc/32/50/55/569325055.db2.gz IQALVAAMIGSTBD-INIZCTEOSA-N 0 0 445.475 5.934 40 5 IKBBRN CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000019643278 569325058 /nfs/dbraw/zinc/32/50/58/569325058.db2.gz GOVFKIWTCBZQDJ-OAHLLOKOSA-N 0 0 445.475 6.177 40 5 IKBBRN CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccccc1Cl ZINC000019927382 569331918 /nfs/dbraw/zinc/33/19/18/569331918.db2.gz ODKNVQHOAKWTLL-UHFFFAOYSA-N 0 0 437.308 5.155 40 5 IKBBRN COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000020140607 569335834 /nfs/dbraw/zinc/33/58/34/569335834.db2.gz RRLKDJLPIJSVCZ-UHFFFAOYSA-N 0 0 448.431 5.176 40 5 IKBBRN O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000020140531 569335886 /nfs/dbraw/zinc/33/58/86/569335886.db2.gz GTTGARWTLWYUSJ-UHFFFAOYSA-N 0 0 438.823 5.513 40 5 IKBBRN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 ZINC000020145113 569335975 /nfs/dbraw/zinc/33/59/75/569335975.db2.gz FIDDDEMFBYNOQM-KRXBUXKQSA-N 0 0 433.247 5.306 40 5 IKBBRN COc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)c([N+](=O)[O-])c1 ZINC000020140676 569335988 /nfs/dbraw/zinc/33/59/88/569335988.db2.gz NNAAGWZKYQNKSV-UHFFFAOYSA-N 0 0 448.431 5.176 40 5 IKBBRN O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000020140465 569336001 /nfs/dbraw/zinc/33/60/01/569336001.db2.gz ICCZRTQXZUIPHA-UHFFFAOYSA-N 0 0 438.823 5.513 40 5 IKBBRN CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1[N+](=O)[O-] ZINC000021579130 569390776 /nfs/dbraw/zinc/39/07/76/569390776.db2.gz MYMLFEMCMJUHFF-UHFFFAOYSA-N 0 0 433.420 5.063 40 5 IKBBRN CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2[N+](=O)[O-])CC1 ZINC000021595800 569391877 /nfs/dbraw/zinc/39/18/77/569391877.db2.gz KVPJULADSXCHTQ-UHFFFAOYSA-N 0 0 429.476 5.983 40 5 IKBBRN Cc1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)ccc1OCc1ccccc1 ZINC000225538242 569403690 /nfs/dbraw/zinc/40/36/90/569403690.db2.gz AKFJCLZSRZBLCD-UHFFFAOYSA-N 0 0 444.531 6.323 40 5 IKBBRN CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C ZINC000225565262 569404404 /nfs/dbraw/zinc/40/44/04/569404404.db2.gz LACWAHFTIFNFCP-GOSISDBHSA-N 0 0 426.513 5.076 40 5 IKBBRN COc1ccc(OC)c([C@H](C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000225668461 569406430 /nfs/dbraw/zinc/40/64/30/569406430.db2.gz LHSHALYYMSVXHZ-BDFKGGEMSA-N 0 0 432.476 5.030 40 5 IKBBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)c2cccnc12 ZINC000225866186 569409455 /nfs/dbraw/zinc/40/94/55/569409455.db2.gz UOTJZLUXMYWCQC-UHFFFAOYSA-N 0 0 433.508 5.771 40 5 IKBBRN CCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1-2 ZINC000002736910 569419235 /nfs/dbraw/zinc/41/92/35/569419235.db2.gz HBJDGJJIKNKOQG-GOSISDBHSA-N 0 0 443.916 5.496 40 5 IKBBRN COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000216413635 569429889 /nfs/dbraw/zinc/42/98/89/569429889.db2.gz NVFIRYNNZAYEEX-XJMDBVJMSA-N 0 0 444.531 6.048 40 5 IKBBRN O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc([N+](=O)[O-])cc1Cl ZINC000057316996 569430758 /nfs/dbraw/zinc/43/07/58/569430758.db2.gz GSPCVVYGAREHPS-UHFFFAOYSA-N 0 0 435.661 5.201 40 5 IKBBRN O=c1c2ccccc2c2nc3c4ccccc4c(=O)c3c(-c3cccc(Br)c3)c12 ZINC000003087901 569440038 /nfs/dbraw/zinc/44/00/38/569440038.db2.gz ICYOVCIZBVPJAX-UHFFFAOYSA-N 0 0 438.280 5.720 40 5 IKBBRN O=C(/C=C/c1ccccc1)Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 ZINC000003139332 569440670 /nfs/dbraw/zinc/44/06/70/569440670.db2.gz MIMDRJHVYRYGOU-MDZDMXLPSA-N 0 0 428.366 6.058 40 5 IKBBRN O=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003207521 569441700 /nfs/dbraw/zinc/44/17/00/569441700.db2.gz NBXGWBXXFAESAD-UHFFFAOYSA-N 0 0 446.466 6.124 40 5 IKBBRN Cc1ccccc1[C@@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccccc1 ZINC000030850165 569449681 /nfs/dbraw/zinc/44/96/81/569449681.db2.gz NTJLXHLFCVCJFK-CGOMHOPZSA-N 0 0 448.522 6.350 40 5 IKBBRN CC(C)c1ccc([C@H]2N[C@H](c3ccc(C(C)C)cc3)[C@@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 ZINC000217672527 569451452 /nfs/dbraw/zinc/45/14/52/569451452.db2.gz BVCSLKXDQKWPKT-YCAMKHIRSA-N 0 0 439.556 5.636 40 5 IKBBRN CCCCN1c2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3Cl)c2C1=O ZINC000003619625 569454970 /nfs/dbraw/zinc/45/49/70/569454970.db2.gz AGULPWJSPMRDHN-UHFFFAOYSA-N 0 0 438.867 6.593 40 5 IKBBRN Clc1ccccc1/N=c1\oc2ccc3ccccc3c2cc1-c1nc2ccccc2s1 ZINC000003657113 569455801 /nfs/dbraw/zinc/45/58/01/569455801.db2.gz YROWWMARJGDFBS-FVDSYPCUSA-N 0 0 438.939 7.749 40 5 IKBBRN O=C1c2ccc([N+](=O)[O-])cc2NC1c1cccc(C2Nc3cc([N+](=O)[O-])ccc3C2=O)c1 ZINC000003844965 569456615 /nfs/dbraw/zinc/45/66/15/569456615.db2.gz QMJOKZRQIFEBLL-UHFFFAOYSA-N 0 0 430.376 5.211 40 5 IKBBRN O=[N+]([O-])c1cc([N+](=O)[O-])c(/C=C(\Cl)c2ccccc2)cc1/C=C(/Cl)c1ccccc1 ZINC000003844615 569456622 /nfs/dbraw/zinc/45/66/22/569456622.db2.gz PBRPOONQQCXZRL-ZEDXCMECSA-N 0 0 441.270 6.977 40 5 IKBBRN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)c([N+](=O)[O-])c4)ccc3o2)cc1C ZINC000032116390 569460260 /nfs/dbraw/zinc/46/02/60/569460260.db2.gz NDTNCLVRVPGNHY-BJMVGYQFSA-N 0 0 447.878 6.325 40 5 IKBBRN COc1cc2sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc2cc1Cl ZINC000032126667 569460396 /nfs/dbraw/zinc/46/03/96/569460396.db2.gz ZJDFOUWLKMSUAN-UHFFFAOYSA-N 0 0 429.841 5.379 40 5 IKBBRN Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463616 569461441 /nfs/dbraw/zinc/46/14/41/569461441.db2.gz PYAIMLKENQOEGA-UHFFFAOYSA-N 0 0 449.919 6.599 40 5 IKBBRN Cn1c(SCc2c[nH]c3cc([N+](=O)[O-])ccc23)nnc1-c1ccc(Cl)cc1Cl ZINC000059459171 569461449 /nfs/dbraw/zinc/46/14/49/569461449.db2.gz HJXNGFXIEOJWAD-UHFFFAOYSA-N 0 0 434.308 5.471 40 5 IKBBRN O=[N+]([O-])c1ccc(N2CCCCCC2)c([C@@H]2OCCCN2Cc2ccc(Cl)cc2)c1 ZINC000059490033 569461560 /nfs/dbraw/zinc/46/15/60/569461560.db2.gz CJDLWDHBEVTYIW-QHCPKHFHSA-N 0 0 429.948 5.550 40 5 IKBBRN O=C1N[C@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)Nc2ccccc21 ZINC000059488532 569461596 /nfs/dbraw/zinc/46/15/96/569461596.db2.gz GDQQJSLWQHVUMR-LJQANCHMSA-N 0 0 434.502 5.210 40 5 IKBBRN O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(Cl)cc1 ZINC000039795167 569481860 /nfs/dbraw/zinc/48/18/60/569481860.db2.gz FLXWZXVYWRAJCP-WQRHYEAKSA-N 0 0 426.837 5.749 40 5 IKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)C=Cc3cccc([N+](=O)[O-])c3)sc2c1 ZINC000032118673 569583651 /nfs/dbraw/zinc/58/36/51/569583651.db2.gz FVSWVFCINXFDTA-PKNBQFBNSA-N 0 0 440.550 5.074 40 5 IKBBRN CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)sc2c1 ZINC000032118783 569583683 /nfs/dbraw/zinc/58/36/83/569583683.db2.gz UCMUXGRNOVEBFZ-UHFFFAOYSA-N 0 0 448.957 5.327 40 5 IKBBRN