smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@@H]1O[C@@H]3c1ccc([N+](=O)[O-])cc1 ZINC000012402499 209949005 /nfs/dbraw/zinc/94/90/05/209949005.db2.gz AAANQPDAZZHISZ-OXFYSEKESA-N 0 0 381.428 5.248 50 5 GKBARN O=C(Nc1ccc(SC(F)F)cc1)c1cccc2nc3ccccc3nc21 ZINC000005445490 209594734 /nfs/dbraw/zinc/59/47/34/209594734.db2.gz ITABCNGPAMUYCL-UHFFFAOYSA-N 0 0 381.407 5.350 50 5 aggregator GKBARN Cc1ccc(SCc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 ZINC000004820293 209529331 /nfs/dbraw/zinc/52/93/31/209529331.db2.gz HDVVGMFUQHGNRU-UHFFFAOYSA-N 0 0 392.480 5.756 50 5 GKBARN O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000004811097 209528253 /nfs/dbraw/zinc/52/82/53/209528253.db2.gz BKMGFYQSDXBQIM-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccc(F)c(F)c3)n2)c1 ZINC000004311546 209478573 /nfs/dbraw/zinc/47/85/73/209478573.db2.gz IBKJTGJFRKVVFW-UHFFFAOYSA-N 0 0 378.338 5.227 50 5 GKBARN Cc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000004257500 209475478 /nfs/dbraw/zinc/47/54/78/209475478.db2.gz YLYHHQKCFXKIBR-JOCHJYFZSA-N 0 0 391.858 5.912 50 5 GKBARN Fc1ccc2nc3c(nc2c1)c1ccccc1n3Cc1ccc(C(F)(F)F)cc1 ZINC000003027953 209406224 /nfs/dbraw/zinc/40/62/24/209406224.db2.gz UFIMNRYLAWSZFT-UHFFFAOYSA-N 0 0 395.359 5.944 50 5 GKBARN Fc1ccc(-c2cc(-c3cc4ccccc4o3)c3c(ccc4ccccc43)n2)cc1 ZINC000002963228 209401836 /nfs/dbraw/zinc/40/18/36/209401836.db2.gz VMCOIVVITXBAMR-UHFFFAOYSA-N 0 0 389.429 7.607 50 5 GKBARN O=[N+]([O-])c1cccc(C(c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1 ZINC000003129714 209412584 /nfs/dbraw/zinc/41/25/84/209412584.db2.gz KAIPIZDQBPWTJN-UHFFFAOYSA-N 0 0 375.595 5.005 50 5 GKBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1Cl ZINC000003079771 209411905 /nfs/dbraw/zinc/41/19/05/209411905.db2.gz OIIBRKKUEPLCRH-UHFFFAOYSA-N 0 0 375.815 5.972 50 5 GKBARN Cc1sc2nc(Cc3ccccc3)nc(Nc3cccc([N+](=O)[O-])c3)c2c1C ZINC000002910593 209397549 /nfs/dbraw/zinc/39/75/49/209397549.db2.gz BMPOPWOIJREZKC-UHFFFAOYSA-N 0 0 390.468 5.551 50 5 GKBARN O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2Sc2ccccc2)c1 ZINC000002855525 209391631 /nfs/dbraw/zinc/39/16/31/209391631.db2.gz MCXPCHRMQRZSFX-UHFFFAOYSA-N 0 0 381.482 5.555 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 ZINC000002835493 209390285 /nfs/dbraw/zinc/39/02/85/209390285.db2.gz YPSUPOZKRNQKMD-UHFFFAOYSA-N 0 0 388.452 5.135 50 5 GKBARN CCOc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1 ZINC000002496033 209368487 /nfs/dbraw/zinc/36/84/87/209368487.db2.gz RPTATALZQVGJRA-UHFFFAOYSA-N 0 0 399.471 6.135 50 5 GKBARN CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)nc2c1 ZINC000002315819 209355609 /nfs/dbraw/zinc/35/56/09/209355609.db2.gz OMUMAAZCFGCPHN-UHFFFAOYSA-N 0 0 391.383 5.372 50 5 GKBARN CN1c2ccccc2C(C)(C)[C@]12C=Nc1c3ccccc3c3ccccc3c1O2 ZINC000002170289 209348528 /nfs/dbraw/zinc/34/85/28/209348528.db2.gz JTRRHUVYCPAWOM-AREMUKBSSA-N 0 0 378.475 6.212 50 5 GKBARN CCOc1ccccc1Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21 ZINC000002201148 209350398 /nfs/dbraw/zinc/35/03/98/209350398.db2.gz KQOVVVFSQUZNQK-UHFFFAOYSA-N 0 0 387.870 5.838 50 5 GKBARN Cc1cc(-c2ccc(OCc3ccccc3F)cc2)nc2ccc3ccccc3c12 ZINC000002192222 209350488 /nfs/dbraw/zinc/35/04/88/209350488.db2.gz JZLHAXKFEHNRQM-UHFFFAOYSA-N 0 0 393.461 7.082 50 5 GKBARN O=c1c2ccccc2nc2c3ccccc3c(Sc3ccc(Cl)cc3)nn12 ZINC000002083448 209346330 /nfs/dbraw/zinc/34/63/30/209346330.db2.gz BYPXRHSPQQRWBL-UHFFFAOYSA-N 0 0 389.867 5.201 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc2ccccc2c1 ZINC000002026139 209343961 /nfs/dbraw/zinc/34/39/61/209343961.db2.gz PLHUUEMBSWYIBK-UHFFFAOYSA-N 0 0 378.262 5.467 50 5 GKBARN CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001837417 209341973 /nfs/dbraw/zinc/34/19/73/209341973.db2.gz GDFISLPPZKTKPE-LJQANCHMSA-N 0 0 392.392 5.749 50 5 GKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(Cl)cc1 ZINC000001768291 209338765 /nfs/dbraw/zinc/33/87/65/209338765.db2.gz IUFYFDQKFJYEAB-UHFFFAOYSA-N 0 0 376.843 5.962 50 5 GKBARN O=[N+]([O-])C[C@@H](c1c2ccccc2[nH]c1-c1ccc(Cl)cc1)c1ccccc1 ZINC000001463235 209329343 /nfs/dbraw/zinc/32/93/43/209329343.db2.gz YZZSNIYKSNOYFU-LJQANCHMSA-N 0 0 376.843 5.897 50 5 GKBARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4C)ccc3o2)cc1 ZINC000001207658 209314341 /nfs/dbraw/zinc/31/43/41/209314341.db2.gz XHXYPVKVEDDSCC-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)nc2c1 ZINC000001205541 209313120 /nfs/dbraw/zinc/31/31/20/209313120.db2.gz LPDFGDJNOXRXGK-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Clc1c2ccccc2c(CN2CCc3c4ccccc4[nH]c3C2)c2ccccc12 ZINC000001226146 209316633 /nfs/dbraw/zinc/31/66/33/209316633.db2.gz GTURKYIWPKQWPP-UHFFFAOYSA-N 0 0 396.921 6.686 50 5 GKBARN CCc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000001164537 209309117 /nfs/dbraw/zinc/30/91/17/209309117.db2.gz RBKOELKBPQTDGQ-UHFFFAOYSA-N 0 0 397.434 5.625 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000001148130 209306978 /nfs/dbraw/zinc/30/69/78/209306978.db2.gz QFKGXXBDUWFNLD-UHFFFAOYSA-N 0 0 395.173 5.553 50 5 GKBARN Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000001149962 209307194 /nfs/dbraw/zinc/30/71/94/209307194.db2.gz CCTDFOABYYEBJZ-UHFFFAOYSA-N 0 0 378.453 5.448 50 5 GKBARN COc1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000001141223 209305002 /nfs/dbraw/zinc/30/50/02/209305002.db2.gz RXSKTUFRSLEXLK-UHFFFAOYSA-N 0 0 398.802 5.301 50 5 GKBARN CC(=O)c1ccc(OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001074692 209297012 /nfs/dbraw/zinc/29/70/12/209297012.db2.gz ZKHSERHISKPIGF-UHFFFAOYSA-N 0 0 379.437 5.528 50 5 GKBARN Cc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c(C)c1 ZINC000000989741 209285726 /nfs/dbraw/zinc/28/57/26/209285726.db2.gz TVFDMOOXUZWGGH-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=C(Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1)c1ccco1 ZINC000000979461 209284489 /nfs/dbraw/zinc/28/44/89/209284489.db2.gz XLYQXCKONVDSLU-UHFFFAOYSA-N 0 0 391.408 5.231 50 5 GKBARN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccc(F)cc1 ZINC000000877700 209275572 /nfs/dbraw/zinc/27/55/72/209275572.db2.gz PLJWTRQISVJHJN-UHFFFAOYSA-N 0 0 385.420 5.062 50 5 GKBARN COc1ccc2c(c1)sc1nc(-c3cc4c(ccc5ccccc54)oc3=O)cn21 ZINC000000856321 209273453 /nfs/dbraw/zinc/27/34/53/209273453.db2.gz MLSQCSLDZLYFMI-UHFFFAOYSA-N 0 0 398.443 5.484 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000862272 209272658 /nfs/dbraw/zinc/27/26/58/209272658.db2.gz WCPSJKYPHCGKFW-LJQANCHMSA-N 0 0 398.871 5.720 50 5 GKBARN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000843988 209272129 /nfs/dbraw/zinc/27/21/29/209272129.db2.gz APGCTZVRNICQRX-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000000846071 209271980 /nfs/dbraw/zinc/27/19/80/209271980.db2.gz DCKXATYLTIZDBB-UHFFFAOYSA-N 0 0 384.800 5.145 50 5 GKBARN Brc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000000753035 209264050 /nfs/dbraw/zinc/26/40/50/209264050.db2.gz RUVUDYBTZRIRHH-UHFFFAOYSA-N 0 0 388.268 5.549 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12 ZINC000000714015 209262017 /nfs/dbraw/zinc/26/20/17/209262017.db2.gz BNLGQOBZYBKGHG-LQOCYXTFSA-N 0 0 398.462 5.529 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000669898 209257052 /nfs/dbraw/zinc/25/70/52/209257052.db2.gz CKPQQFHSOGQYLA-HXUWFJFHSA-N 0 0 378.453 5.375 50 5 GKBARN Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000673736 209257612 /nfs/dbraw/zinc/25/76/12/209257612.db2.gz UARAJKAKJLELDU-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cc1ccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000002063586 212263256 /nfs/dbraw/zinc/26/32/56/212263256.db2.gz YMJBGGZHHPVAPQ-UHFFFAOYSA-N 0 0 384.460 6.122 50 5 GKBARN CC/C(=C(\c1ccccc1)c1ccc(OCC[N+](C)(C)[O-])cc1)c1ccccc1 ZINC000001849477 212258690 /nfs/dbraw/zinc/25/86/90/212258690.db2.gz YAASNACECBQAFW-QPLCGJKRSA-N 0 0 387.523 6.009 50 5 world GKBARN CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001837416 212256975 /nfs/dbraw/zinc/25/69/75/212256975.db2.gz GDFISLPPZKTKPE-IBGZPJMESA-N 0 0 392.392 5.749 50 5 GKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)cc1Cl ZINC000001508495 212248054 /nfs/dbraw/zinc/24/80/54/212248054.db2.gz IMPLGHFIOHXLHJ-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN O=C(Nc1ccc(Cl)cc1)OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000001392280 212241231 /nfs/dbraw/zinc/24/12/31/212241231.db2.gz WBLIQWXYMQGXBB-UHFFFAOYSA-N 0 0 398.802 5.789 50 5 GKBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001185501 212227317 /nfs/dbraw/zinc/22/73/17/212227317.db2.gz GDNHFWCHBBVHMX-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001186102 212226564 /nfs/dbraw/zinc/22/65/64/212226564.db2.gz XPZXSABKJLEZGO-UHFFFAOYSA-N 0 0 395.173 5.553 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1N1COc2ccc3cc(Br)ccc3c2C1 ZINC000001177184 212225798 /nfs/dbraw/zinc/22/57/98/212225798.db2.gz FUAHFKHNGZDAGA-UHFFFAOYSA-N 0 0 399.244 5.175 50 5 GKBARN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001139619 212222198 /nfs/dbraw/zinc/22/21/98/212222198.db2.gz ISAVPESOPPEDSY-UHFFFAOYSA-N 0 0 384.391 5.793 50 5 GKBARN O=C(Nc1ccc(F)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001140731 212221452 /nfs/dbraw/zinc/22/14/52/212221452.db2.gz FCIWGDBYXVHBIP-UHFFFAOYSA-N 0 0 386.766 5.432 50 5 GKBARN CCOc1ccc([C@@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OCC ZINC000001070479 212213443 /nfs/dbraw/zinc/21/34/43/212213443.db2.gz BZZSKRSKMWRVNT-QHCPKHFHSA-N 0 0 391.423 5.389 50 5 GKBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000001042572 212209519 /nfs/dbraw/zinc/20/95/19/212209519.db2.gz CLLTWVLBMNFKOT-UHFFFAOYSA-N 0 0 380.105 5.140 50 5 GKBARN O=C(Nc1nc2ccccc2s1)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000001055490 212210696 /nfs/dbraw/zinc/21/06/96/212210696.db2.gz QXVALAXNIOWYJU-UHFFFAOYSA-N 0 0 389.845 5.325 50 5 GKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000001002269 212204738 /nfs/dbraw/zinc/20/47/38/212204738.db2.gz XDYDEOVKWYWPDY-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2COC(=O)c2cccs2)cc1 ZINC000001000118 212204564 /nfs/dbraw/zinc/20/45/64/212204564.db2.gz PNSUURPFYCHDAV-UHFFFAOYSA-N 0 0 385.466 5.473 50 5 GKBARN Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)oc2c(C)c1 ZINC000000994465 212203243 /nfs/dbraw/zinc/20/32/43/212203243.db2.gz BWPABIYSULHFFU-UHFFFAOYSA-N 0 0 391.383 5.174 50 5 GKBARN O=[N+]([O-])c1cccc(Nc2nc(-c3ccccc3Cl)nc3ccccc32)c1 ZINC000000944221 212198251 /nfs/dbraw/zinc/19/82/51/212198251.db2.gz RNGNGWBVLGHDML-UHFFFAOYSA-N 0 0 376.803 5.602 50 5 GKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000000940235 212197309 /nfs/dbraw/zinc/19/73/09/212197309.db2.gz WRGOLRONNXPDDR-UHFFFAOYSA-N 0 0 387.395 5.217 50 5 GKBARN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000000830411 212187151 /nfs/dbraw/zinc/18/71/51/212187151.db2.gz DOEJMKGIMBBDTH-UHFFFAOYSA-N 0 0 397.774 5.210 50 5 GKBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000828033 212186885 /nfs/dbraw/zinc/18/68/85/212186885.db2.gz NRNQURZCVDLLLV-UHFFFAOYSA-N 0 0 386.411 5.007 50 5 GKBARN Cc1c(C(=O)Nc2nc(-c3cccc4ccccc43)cs2)cccc1[N+](=O)[O-] ZINC000000668473 212170600 /nfs/dbraw/zinc/17/06/00/212170600.db2.gz CVWOJZIXWYSNRZ-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000001741677 212100924 /nfs/dbraw/zinc/10/09/24/212100924.db2.gz JBSUIKVDZBZANF-UHFFFAOYSA-N 0 0 377.681 5.050 50 5 GKBARN O=[N+]([O-])c1ccc(CC(C=C(Cl)Cl)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004827776 212079372 /nfs/dbraw/zinc/07/93/72/212079372.db2.gz USMROASBOIJJME-UHFFFAOYSA-N 0 0 381.215 5.223 50 5 GKBARN Cc1ccnc(/N=c2\scc(-c3cccc([N+](=O)[O-])c3)n2C2CCCCC2)c1 ZINC000101137379 203752594 /nfs/dbraw/zinc/75/25/94/203752594.db2.gz QWIVXUVKOBNJHM-LNVKXUELSA-N 0 0 394.500 5.566 50 5 GKBARN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(F)cc1 ZINC000000877672 203862662 /nfs/dbraw/zinc/86/26/62/203862662.db2.gz CCTMKPZYRGBBEH-UHFFFAOYSA-N 0 0 385.420 5.062 50 5 GKBARN O=c1oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc2c2c1CCC2 ZINC000001155232 203890616 /nfs/dbraw/zinc/89/06/16/203890616.db2.gz NZEAIESJABSFNH-UHFFFAOYSA-N 0 0 391.301 5.001 50 5 GKBARN C[C@H]1CCc2c(sc3nc4c5ccccc5c(-c5ccccc5)nn4c(=O)c23)C1 ZINC000001801784 203919586 /nfs/dbraw/zinc/91/95/86/203919586.db2.gz CEWROALGQBGICQ-AWEZNQCLSA-N 0 0 397.503 5.249 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(F)cc1Cl ZINC000002162675 203929072 /nfs/dbraw/zinc/92/90/72/203929072.db2.gz RQGIZKGFTNKVNU-UHFFFAOYSA-N 0 0 380.637 5.107 50 5 GKBARN CCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC ZINC000002400944 203941346 /nfs/dbraw/zinc/94/13/46/203941346.db2.gz CKOYHJRTVCDSJK-UHFFFAOYSA-N 0 0 397.478 5.502 50 5 GKBARN Cc1ccccc1OCC(=O)Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1 ZINC000001213863 203898360 /nfs/dbraw/zinc/89/83/60/203898360.db2.gz CWLVYGJMQGEDAE-UHFFFAOYSA-N 0 0 394.452 5.072 50 5 GKBARN O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1Sc1ccc(C(F)(F)F)cc1 ZINC000004336334 204039692 /nfs/dbraw/zinc/03/96/92/204039692.db2.gz LOBSKFFKEOETOH-UHFFFAOYSA-N 0 0 398.793 6.209 50 5 GKBARN Cc1ccc(OCc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000004085080 204026634 /nfs/dbraw/zinc/02/66/34/204026634.db2.gz UQWDFHXCBWYTAR-UHFFFAOYSA-N 0 0 385.872 6.287 50 5 GKBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000004113820 204028217 /nfs/dbraw/zinc/02/82/17/204028217.db2.gz YJJIXBKFIIGXBV-HBMCJLEFSA-N 0 0 377.827 5.628 50 5 GKBARN CCCC1CCC(c2ccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])cc2)CC1 ZINC000004256728 204035660 /nfs/dbraw/zinc/03/56/60/204035660.db2.gz JCGCPKZSBVIKGQ-UHFFFAOYSA-N 0 0 396.487 5.930 50 5 GKBARN CCCCCCc1ccc(C2=N/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)O2)cc1 ZINC000004696562 204065445 /nfs/dbraw/zinc/06/54/45/204065445.db2.gz ZWNRYYZTKVNMFC-HKWRFOASSA-N 0 0 378.428 5.062 50 5 GKBARN COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1)oc1ccccc12 ZINC000004705008 204066245 /nfs/dbraw/zinc/06/62/45/204066245.db2.gz KUEIXIAFCDTYAH-UHFFFAOYSA-N 0 0 376.368 5.064 50 5 GKBARN c1sc2ccccc2c1-c1nc2cc3ccccc3cc2nc1-c1ccccc1 ZINC000004769962 204074375 /nfs/dbraw/zinc/07/43/75/204074375.db2.gz VOXATEIUCBISPU-UHFFFAOYSA-N 0 0 388.495 7.332 50 5 GKBARN Cc1ccc(NC(=O)OCCOc2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004799728 204076987 /nfs/dbraw/zinc/07/69/87/204076987.db2.gz YOXXUJNDQRILPI-UHFFFAOYSA-N 0 0 392.411 5.198 50 5 GKBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCCC2)cc1Cl ZINC000004872257 204084721 /nfs/dbraw/zinc/08/47/21/204084721.db2.gz YPBCDHQAEWBFQL-UHFFFAOYSA-N 0 0 387.867 5.189 50 5 GKBARN O=[N+]([O-])c1cccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)c1 ZINC000004898219 204088615 /nfs/dbraw/zinc/08/86/15/204088615.db2.gz HRKHCDOBIWTWJM-NRFANRHFSA-N 0 0 377.831 5.604 50 5 GKBARN COc1ccc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c([N+](=O)[O-])c1 ZINC000004917515 204091125 /nfs/dbraw/zinc/09/11/25/204091125.db2.gz LUKVUOLHFMXTRL-UHFFFAOYSA-N 0 0 397.239 5.377 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000004524485 204051291 /nfs/dbraw/zinc/05/12/91/204051291.db2.gz XYOXZOMYSJLXHO-FQEVSTJZSA-N 0 0 394.452 5.076 50 5 GKBARN CCCCCCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1ccccc1 ZINC000004567370 204054883 /nfs/dbraw/zinc/05/48/83/204054883.db2.gz NXRQWMVIEOEZKG-DQRAZIAOSA-N 0 0 381.501 5.938 50 5 GKBARN COc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004969929 204096930 /nfs/dbraw/zinc/09/69/30/204096930.db2.gz UDEAUISEZKPDQL-UHFFFAOYSA-N 0 0 396.406 5.158 50 5 GKBARN CCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005014228 204102062 /nfs/dbraw/zinc/10/20/62/204102062.db2.gz ABYWDOITHXWWBL-LFIBNONCSA-N 0 0 397.434 5.027 50 5 GKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000005713722 204149157 /nfs/dbraw/zinc/14/91/57/204149157.db2.gz DYJYPHYNKOXLNR-UHFFFAOYSA-N 0 0 395.173 5.553 50 5 GKBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccc(Cl)c1Cl ZINC000005937980 204158365 /nfs/dbraw/zinc/15/83/65/204158365.db2.gz FKWVNDCARYPHMA-UHFFFAOYSA-N 0 0 399.229 5.610 50 5 GKBARN C[C@@H](Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008586908 204280244 /nfs/dbraw/zinc/28/02/44/204280244.db2.gz YZDKCIBKIVREMC-CYBMUJFWSA-N 0 0 376.372 5.078 50 5 GKBARN CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000008916130 204293057 /nfs/dbraw/zinc/29/30/57/204293057.db2.gz KJVCFJUJDXNRCQ-UHFFFAOYSA-N 0 0 378.428 5.154 50 5 GKBARN COc1ccc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc1Cl ZINC000009227580 204303270 /nfs/dbraw/zinc/30/32/70/204303270.db2.gz WCGKGIJBZKYJGI-UHFFFAOYSA-N 0 0 397.239 5.377 50 5 GKBARN C[C@@H](Oc1cccc2c1ccc1c3c(c(=O)oc21)CCCC3)C(=O)c1ccccc1 ZINC000011867589 204358444 /nfs/dbraw/zinc/35/84/44/204358444.db2.gz ZMQPXLAZHGXILN-MRXNPFEDSA-N 0 0 398.458 5.475 50 5 GKBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@H]2c2ccccc2Cl)c1 ZINC000036347396 205012228 /nfs/dbraw/zinc/01/22/28/205012228.db2.gz AILYGYDEOHGTKG-OAQYLSRUSA-N 0 0 381.863 5.045 50 5 GKBARN CCCCc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000004542639 209138230 /nfs/dbraw/zinc/13/82/30/209138230.db2.gz AAKNIPUQLUUCGA-UHFFFAOYSA-N 0 0 392.455 5.769 50 5 GKBARN CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCC1 ZINC000079191096 205055984 /nfs/dbraw/zinc/05/59/84/205055984.db2.gz KWCXAIXYNOBJHR-UHFFFAOYSA-N 0 0 379.460 5.033 50 5 biogenic GKBARN Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c(Cl)c1 ZINC000004542790 209138012 /nfs/dbraw/zinc/13/80/12/209138012.db2.gz WNKWPRWXMOPDLX-JXMROGBWSA-N 0 0 382.803 5.469 50 5 GKBARN O=C(c1c[nH]c2ccccc21)[C@H](Sc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000065578338 205237359 /nfs/dbraw/zinc/23/73/59/205237359.db2.gz QLWOXCXPAVKWHR-HXUWFJFHSA-N 0 0 389.436 5.187 50 5 GKBARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000100505765 205607151 /nfs/dbraw/zinc/60/71/51/205607151.db2.gz FMGASDMOOZLXOB-QFIPXVFZSA-N 0 0 386.432 5.845 50 5 GKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000043333994 205658432 /nfs/dbraw/zinc/65/84/32/205658432.db2.gz FXNRVFMLJWGVJC-QGZVFWFLSA-N 0 0 389.455 5.411 50 5 GKBARN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(Cl)cc1Cl ZINC000000779458 205696411 /nfs/dbraw/zinc/69/64/11/205696411.db2.gz LMBQJDLBYICMHK-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN Cc1ccc(/C=C/c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)cc1 ZINC000096572089 206123557 /nfs/dbraw/zinc/12/35/57/206123557.db2.gz DRTVVTBRQGCBDA-CCEZHUSRSA-N 0 0 394.517 8.778 50 5 GKBARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000252002542 206138594 /nfs/dbraw/zinc/13/85/94/206138594.db2.gz NABSXXZLUXIJIQ-UPVQGACJSA-N 0 0 399.450 5.400 50 5 GKBARN CC(C)c1ccc([C@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000012527861 211685219 /nfs/dbraw/zinc/68/52/19/211685219.db2.gz YFYKXZWHHTXQPL-SFHVURJKSA-N 0 0 398.506 5.156 50 5 GKBARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12 ZINC000000638986 206311050 /nfs/dbraw/zinc/31/10/50/206311050.db2.gz OYDLVRGTECYTPQ-UHFFFAOYSA-N 0 0 394.430 5.048 50 5 GKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nc2c1 ZINC000000821776 206323564 /nfs/dbraw/zinc/32/35/64/206323564.db2.gz ZZIVWIINGXPQLK-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000862271 206328550 /nfs/dbraw/zinc/32/85/50/206328550.db2.gz WCPSJKYPHCGKFW-IBGZPJMESA-N 0 0 398.871 5.720 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000000862286 206329230 /nfs/dbraw/zinc/32/92/30/206329230.db2.gz GKCGZJCBBXAEKE-FQEVSTJZSA-N 0 0 394.452 5.076 50 5 GKBARN Cc1ccc(-n2c3c(c(=S)nc2-c2cccc([N+](=O)[O-])c2)CCCC3)cc1 ZINC000000954360 206337675 /nfs/dbraw/zinc/33/76/75/206337675.db2.gz COTGQAVCGXXHOP-UHFFFAOYSA-N 0 0 377.469 5.364 50 5 GKBARN O=[N+]([O-])c1cc(Cl)c(-n2cccc2)cc1Sc1ccc(F)cc1Cl ZINC000001043464 206345829 /nfs/dbraw/zinc/34/58/29/206345829.db2.gz OHJCXANUGPOLRY-UHFFFAOYSA-N 0 0 383.231 5.983 50 5 GKBARN C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001067039 206348667 /nfs/dbraw/zinc/34/86/67/206348667.db2.gz AQOSCTLRFSOQFS-OAHLLOKOSA-N 0 0 394.452 5.152 50 5 GKBARN COc1ccc(Cn2c3ccc(C)cc3c3nc4ccccc4nc32)cc1OC ZINC000001079772 206351496 /nfs/dbraw/zinc/35/14/96/206351496.db2.gz DJKRJHLKIVEXLQ-UHFFFAOYSA-N 0 0 383.451 5.112 50 5 GKBARN O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c21 ZINC000001097639 206352666 /nfs/dbraw/zinc/35/26/66/206352666.db2.gz SAPHMWFMICIXKV-UHFFFAOYSA-N 0 0 382.759 5.399 50 5 GKBARN O=C1NC(=Cc2c3ccccc3cc3ccccc32)C(=O)N1c1ccc(Cl)cc1 ZINC000001100041 206352785 /nfs/dbraw/zinc/35/27/85/206352785.db2.gz XVPMTMVEAYTPIH-HYARGMPZSA-N 0 0 398.849 5.744 50 5 GKBARN CSc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 ZINC000001126248 206356514 /nfs/dbraw/zinc/35/65/14/206356514.db2.gz SZYFHGYBHYXSBO-KGENOOAVSA-N 0 0 390.464 5.496 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1 ZINC000001313128 206371491 /nfs/dbraw/zinc/37/14/91/206371491.db2.gz DJMMARPQZKCTMW-UHFFFAOYSA-N 0 0 393.406 5.034 50 5 GKBARN Cc1ccc(Sc2ccc(C(=O)Nc3ccc(F)cc3)cc2[N+](=O)[O-])cc1 ZINC000001386991 206377605 /nfs/dbraw/zinc/37/76/05/206377605.db2.gz CEQWHJTUZOHKCR-UHFFFAOYSA-N 0 0 382.416 5.446 50 5 GKBARN COc1ccc(-n2c3c(c(=S)nc2-c2cccc([N+](=O)[O-])c2)CCCC3)cc1 ZINC000001145427 206360009 /nfs/dbraw/zinc/36/00/09/206360009.db2.gz ZACAZBWMAVVRIC-UHFFFAOYSA-N 0 0 393.468 5.064 50 5 GKBARN Cc1c(C)c2ccc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(C)c2oc1=O ZINC000001154551 206360468 /nfs/dbraw/zinc/36/04/68/206360468.db2.gz FNSJRPRFZPFEMP-UHFFFAOYSA-N 0 0 393.317 5.438 50 5 GKBARN O=C(OCc1ccc(Cl)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001165272 206361890 /nfs/dbraw/zinc/36/18/90/206361890.db2.gz QIFISPUYBUNJEK-UHFFFAOYSA-N 0 0 383.787 5.398 50 5 GKBARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001185967 206365806 /nfs/dbraw/zinc/36/58/06/206365806.db2.gz BKYWPMPGDNSBKI-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1 ZINC000001228557 206369759 /nfs/dbraw/zinc/36/97/59/206369759.db2.gz YWPSUCZSWDCOHB-UHFFFAOYSA-N 0 0 397.228 5.277 50 5 GKBARN CC(C)CCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000001752808 206391315 /nfs/dbraw/zinc/39/13/15/206391315.db2.gz DIBPKQBRNBXYMW-UHFFFAOYSA-N 0 0 395.506 6.211 50 5 GKBARN O=C1c2ccccc2N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1C1CCCCC1 ZINC000002744852 206432163 /nfs/dbraw/zinc/43/21/63/206432163.db2.gz OCZCZHJNPDOMPB-IBGZPJMESA-N 0 0 385.851 5.147 50 5 GKBARN Cc1cccc(NC(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)cc2)c1C ZINC000002769775 206433076 /nfs/dbraw/zinc/43/30/76/206433076.db2.gz QYIXRNHQQVPSNX-UHFFFAOYSA-N 0 0 376.412 5.043 50 5 GKBARN Clc1ccc(OCCCn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000002668000 206428009 /nfs/dbraw/zinc/42/80/09/206428009.db2.gz PFNCJJHAHWRCFJ-UHFFFAOYSA-N 0 0 387.870 5.860 50 5 GKBARN Fc1ccc2nc3c(nc2c1)c1ccccc1n3Cc1c(Cl)cccc1Cl ZINC000003027967 206453607 /nfs/dbraw/zinc/45/36/07/206453607.db2.gz WRCNMMFTHZLGEW-UHFFFAOYSA-N 0 0 396.252 6.232 50 5 GKBARN CCOc1cc(CNc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000004682170 206541537 /nfs/dbraw/zinc/54/15/37/206541537.db2.gz HRAQQKLEYZGAGS-UHFFFAOYSA-N 0 0 378.428 5.185 50 5 GKBARN CCCCCCc1ccc(C(=O)Nc2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000004644717 206535148 /nfs/dbraw/zinc/53/51/48/206535148.db2.gz MZKSDYROCZUXEE-UHFFFAOYSA-N 0 0 394.427 5.076 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004785997 206554433 /nfs/dbraw/zinc/55/44/33/206554433.db2.gz AJRVKVBDWXZRCW-UHFFFAOYSA-N 0 0 388.879 6.509 50 5 GKBARN O=[N+]([O-])c1ccc(C2=Nc3cc4ccccc4cc3C(c3ccccc3)=NN2)cc1 ZINC000004810661 206556523 /nfs/dbraw/zinc/55/65/23/206556523.db2.gz NHMWXEGDZHJIHK-UHFFFAOYSA-N 0 0 392.418 5.182 50 5 GKBARN O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 ZINC000005059721 206588007 /nfs/dbraw/zinc/58/80/07/206588007.db2.gz ODNYJUAMNUTNCF-RMKNXTFCSA-N 0 0 385.398 5.757 50 5 GKBARN C[C@@H](SC1=Nc2ccccc2CS1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000009602161 206794149 /nfs/dbraw/zinc/79/41/49/206794149.db2.gz YMKDQNLLWJLDBF-LLVKDONJSA-N 0 0 398.469 5.374 50 5 GKBARN CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@H]1O[C@@H]3c1ccc([N+](=O)[O-])cc1 ZINC000012402501 206893586 /nfs/dbraw/zinc/89/35/86/206893586.db2.gz AAANQPDAZZHISZ-WRWLIDTKSA-N 0 0 381.428 5.248 50 5 GKBARN Cc1cc(C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)ccc1[N+](=O)[O-] ZINC000015544795 207053431 /nfs/dbraw/zinc/05/34/31/207053431.db2.gz HJNZELRBGULZGH-UHFFFAOYSA-N 0 0 398.871 5.960 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccccc1C(F)(F)F ZINC000017078053 207082348 /nfs/dbraw/zinc/08/23/48/207082348.db2.gz VWJJRLNUXKJXLG-UHFFFAOYSA-N 0 0 382.341 5.337 50 5 GKBARN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)ccc1Cl ZINC000025782092 207306069 /nfs/dbraw/zinc/30/60/69/207306069.db2.gz RDGUKPMHFCXRJR-UZLBHIALSA-N 0 0 395.802 5.084 50 5 GKBARN Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2c(F)cccc2F)n1 ZINC000037510254 207543100 /nfs/dbraw/zinc/54/31/00/207543100.db2.gz LIIMXAZQMKLJCA-UHFFFAOYSA-N 0 0 389.383 5.056 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344876 208076369 /nfs/dbraw/zinc/07/63/69/208076369.db2.gz XGTHAYIBGQYGDD-CHWSQXEVSA-N 0 0 385.634 5.297 50 5 GKBARN Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])[C@H](C)c2ccc(Cl)cc2)oc1C ZINC000089558288 208107685 /nfs/dbraw/zinc/10/76/85/208107685.db2.gz AJIBUYGYKAKVNW-OAHLLOKOSA-N 0 0 399.878 5.616 50 5 GKBARN CC(C)c1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000095479838 208195431 /nfs/dbraw/zinc/19/54/31/208195431.db2.gz OFVIRFAOUFSQGY-UHFFFAOYSA-N 0 0 379.460 5.761 50 5 GKBARN Cc1ccc(NC2=C[C@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100100730 208370795 /nfs/dbraw/zinc/37/07/95/208370795.db2.gz MUTHYBKIMBAQIC-HSZRJFAPSA-N 0 0 399.450 5.296 50 5 GKBARN CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 ZINC000044088024 208443867 /nfs/dbraw/zinc/44/38/67/208443867.db2.gz FCZDVWYGJWPSNH-UHFFFAOYSA-N 0 0 395.362 5.068 50 5 GKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1)c1ccco1 ZINC000001184019 220482515 /nfs/dbraw/zinc/48/25/15/220482515.db2.gz TXOULGRLZLBQNC-UHFFFAOYSA-N 0 0 391.408 5.231 50 5 GKBARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000001505404 220498837 /nfs/dbraw/zinc/49/88/37/220498837.db2.gz DLJOWTDTCUWCKU-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN Cc1nn(-c2ccc(C)cc2)c(-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1O ZINC000002338143 220524949 /nfs/dbraw/zinc/52/49/49/220524949.db2.gz ITYSISCKRHBXNZ-UHFFFAOYSA-N 0 0 385.423 5.437 50 5 GKBARN CCOc1ccc(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)cc1 ZINC000002813774 220569603 /nfs/dbraw/zinc/56/96/03/220569603.db2.gz FMIVYMXQJOJJKG-UHFFFAOYSA-N 0 0 386.411 5.347 50 5 GKBARN C[C@H]1CCCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])C1 ZINC000032980011 208994861 /nfs/dbraw/zinc/99/48/61/208994861.db2.gz XVHLEMCCBAHSCJ-INIZCTEOSA-N 0 0 389.455 5.237 50 5 GKBARN O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000004113821 220682434 /nfs/dbraw/zinc/68/24/34/220682434.db2.gz YJJIXBKFIIGXBV-PWRODBHTSA-N 0 0 377.827 5.628 50 5 GKBARN Cc1cccc(NC(=O)c2ccc(NCc3ccccc3Cl)c([N+](=O)[O-])c2)c1 ZINC000004668173 220744635 /nfs/dbraw/zinc/74/46/35/220744635.db2.gz KWVWTCRFWIPBMX-UHFFFAOYSA-N 0 0 395.846 5.421 50 5 GKBARN CCSc1ccccc1C(=O)Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1 ZINC000004838480 220772929 /nfs/dbraw/zinc/77/29/29/220772929.db2.gz UZAOSORPHWOVIB-UHFFFAOYSA-N 0 0 399.497 5.006 50 5 GKBARN COc1cc2c(cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000005060719 220822663 /nfs/dbraw/zinc/82/26/63/220822663.db2.gz ONKIIBIECFVEHM-UHFFFAOYSA-N 0 0 377.356 5.147 50 5 GKBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000005069212 220825169 /nfs/dbraw/zinc/82/51/69/220825169.db2.gz XEWJROVBEJFIPM-UHFFFAOYSA-N 0 0 391.427 5.097 50 5 GKBARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2-c1cccc2cccnc21 ZINC000096115412 209011079 /nfs/dbraw/zinc/01/10/79/209011079.db2.gz CMQMPKWYAHTKBH-UHFFFAOYSA-N 0 0 394.434 5.832 50 5 biogenic GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1SCc1ccccc1 ZINC000007684525 221005357 /nfs/dbraw/zinc/00/53/57/221005357.db2.gz ADAASBBBJPFKKG-UHFFFAOYSA-N 0 0 378.453 5.448 50 5 GKBARN O=C(Nc1ccc(Cl)c2ncsc21)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000007598869 221002495 /nfs/dbraw/zinc/00/24/95/221002495.db2.gz CHPGNDSKZPGDKU-UHFFFAOYSA-N 0 0 389.845 5.325 50 5 GKBARN CCCCNc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000008340624 221037760 /nfs/dbraw/zinc/03/77/60/221037760.db2.gz YUSIDKBKJZCAFB-UHFFFAOYSA-N 0 0 396.472 5.183 50 5 GKBARN Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000008465662 221042708 /nfs/dbraw/zinc/04/27/08/221042708.db2.gz PAPAECMKCHLUOB-UHFFFAOYSA-N 0 0 398.491 5.075 50 5 aggregator GKBARN O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000012062407 221147294 /nfs/dbraw/zinc/14/72/94/221147294.db2.gz LENPWONQZVNXFD-UHFFFAOYSA-N 0 0 383.325 5.217 50 5 GKBARN CCCC(=O)Oc1cn([C@H](C)CC)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013237767 221264426 /nfs/dbraw/zinc/26/44/26/221264426.db2.gz SUABSPZLDWQTLQ-OAHLLOKOSA-N 0 0 392.503 5.466 50 5 GKBARN O=C1S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccccc1 ZINC000013477011 221268796 /nfs/dbraw/zinc/26/87/96/221268796.db2.gz GJVWTRBVQMFNAB-LDADJPATSA-N 0 0 392.392 5.096 50 5 GKBARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004257504 533431281 /nfs/dbraw/zinc/43/12/81/533431281.db2.gz MSIRABQRIMQEHD-JOCHJYFZSA-N 0 0 391.402 5.098 50 5 GKBARN Cc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1Cl ZINC000002114032 136193255 /nfs/dbraw/zinc/19/32/55/136193255.db2.gz PVPKBNDEEZCEQP-UHFFFAOYSA-N 0 0 391.854 5.573 50 5 biogenic GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(C(C)(C)C)cc1)CO2 ZINC000002123870 136193470 /nfs/dbraw/zinc/19/34/70/136193470.db2.gz MFLGVFYGLWYFQL-UHFFFAOYSA-N 0 0 399.490 5.909 50 5 biogenic GKBARN O=c1cc(CSc2nccc(C(F)(F)F)n2)c2c(ccc3ccccc32)o1 ZINC000026478427 221641870 /nfs/dbraw/zinc/64/18/70/221641870.db2.gz HIHARWXKBXDFCO-UHFFFAOYSA-N 0 0 388.370 5.047 50 5 GKBARN Cc1csc(Sc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c(C)c2)n1 ZINC000058177676 222044507 /nfs/dbraw/zinc/04/45/07/222044507.db2.gz SSAMVJBTEHFTQY-UHFFFAOYSA-N 0 0 399.497 5.380 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)n3nc(-c4ccccc4)cc3n2)cc1 ZINC000061958047 222063760 /nfs/dbraw/zinc/06/37/60/222063760.db2.gz YJVZKZMOEOFIOK-UHFFFAOYSA-N 0 0 392.418 5.639 50 5 GKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000068688410 222171222 /nfs/dbraw/zinc/17/12/22/222171222.db2.gz AMXHTYUVOLTMQV-UHFFFAOYSA-N 0 0 388.467 6.247 50 5 GKBARN C[C@@H](Oc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1)c1ccccc1 ZINC000096280988 222409720 /nfs/dbraw/zinc/40/97/20/222409720.db2.gz WEIUQHZGTSJXMH-OAHLLOKOSA-N 0 0 387.395 5.452 50 5 GKBARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000245241691 524090283 /nfs/dbraw/zinc/09/02/83/524090283.db2.gz MYVJPTQHKVKORN-UPVQGACJSA-N 0 0 399.450 5.454 50 5 GKBARN COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004757557 525173357 /nfs/dbraw/zinc/17/33/57/525173357.db2.gz AZIQFIZOMWOWDB-JOCHJYFZSA-N 0 0 390.439 5.338 50 5 aggregator GKBARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000752631 525277216 /nfs/dbraw/zinc/27/72/16/525277216.db2.gz XMYMRMCDWWHWTA-IIBYNOLFSA-N 0 0 387.439 5.187 50 5 GKBARN CC(C)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000002984743 528109448 /nfs/dbraw/zinc/10/94/48/528109448.db2.gz IXSTZUITOCOQOB-XQNSMLJCSA-N 0 0 386.451 5.898 50 5 GKBARN CCCCN(CCCC)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000001827350 528407461 /nfs/dbraw/zinc/40/74/61/528407461.db2.gz QDBLMZLFKYVYBC-UHFFFAOYSA-N 0 0 378.476 5.612 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1[N+](=O)[O-] ZINC000006052621 570229182 /nfs/dbraw/zinc/22/91/82/570229182.db2.gz LFCBZOZIYYENNJ-UHFFFAOYSA-N 0 0 395.465 5.494 50 5 GKBARN Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000006053766 570229495 /nfs/dbraw/zinc/22/94/95/570229495.db2.gz JUGGXFSMZDJTGW-UHFFFAOYSA-N 0 0 396.830 5.910 50 5 GKBARN CCOc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1[N+](=O)[O-] ZINC000000675430 570289065 /nfs/dbraw/zinc/28/90/65/570289065.db2.gz AGNINZGFVUSENP-UHFFFAOYSA-N 0 0 375.837 5.514 50 5 GKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000000680922 570290357 /nfs/dbraw/zinc/29/03/57/570290357.db2.gz QUMNZRZNDFQVGW-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN O=[N+]([O-])c1ccc(-c2[nH]c(-c3ccc4ncccc4c3)nc2-c2ccccc2)cc1 ZINC000000704242 570294279 /nfs/dbraw/zinc/29/42/79/570294279.db2.gz WRXHZAYHYIIURM-UHFFFAOYSA-N 0 0 392.418 5.867 50 5 GKBARN CCSc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000005241084 570301611 /nfs/dbraw/zinc/30/16/11/570301611.db2.gz SNNGOSDGFVEBRK-UHFFFAOYSA-N 0 0 385.470 5.083 50 5 GKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc2c1 ZINC000000726037 570304037 /nfs/dbraw/zinc/30/40/37/570304037.db2.gz AZCNXSPCXZJGSC-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=C(OCc1ccc([N+](=O)[O-])cc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000004833199 570305854 /nfs/dbraw/zinc/30/58/54/570305854.db2.gz PKCVZXOVOQDVMG-UHFFFAOYSA-N 0 0 395.798 5.229 50 5 GKBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1Nc1cc(C(F)(F)F)ccc1Cl ZINC000004836785 570311132 /nfs/dbraw/zinc/31/11/32/570311132.db2.gz YHGALULLPDGAJF-UHFFFAOYSA-N 0 0 393.108 5.200 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(NC2CCCCC2)n1 ZINC000002864113 570312245 /nfs/dbraw/zinc/31/22/45/570312245.db2.gz HRMWPVYYWLXXJO-UHFFFAOYSA-N 0 0 376.481 5.814 50 5 GKBARN Cc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)c(C)c1 ZINC000000753030 570313119 /nfs/dbraw/zinc/31/31/19/570313119.db2.gz OXESMAQPQCHXGB-UHFFFAOYSA-N 0 0 378.409 5.109 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c32)cc1 ZINC000002963182 570320450 /nfs/dbraw/zinc/32/04/50/570320450.db2.gz OYDMVYOKKIAIBU-UHFFFAOYSA-N 0 0 376.415 6.630 50 5 GKBARN CCOc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002991097 570324032 /nfs/dbraw/zinc/32/40/32/570324032.db2.gz HSQBNTQDRMLAAY-UHFFFAOYSA-N 0 0 376.459 6.516 50 5 GKBARN Brc1cc2cc(Br)c3ccccc3c2c2ccccc12 ZINC000115999163 570344034 /nfs/dbraw/zinc/34/40/34/570344034.db2.gz PLMVEJSWEFNBNL-UHFFFAOYSA-N 0 0 386.086 6.671 50 5 GKBARN O=[N+]([O-])c1cc(-c2nnc(-c3ccccc3)o2)ccc1Oc1ccc(Cl)cc1 ZINC000004860407 570349824 /nfs/dbraw/zinc/34/98/24/570349824.db2.gz TZUGFRRNDRTXFR-UHFFFAOYSA-N 0 0 393.786 5.758 50 5 aggregator GKBARN O=[N+]([O-])c1cccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)c1 ZINC000004860732 570350212 /nfs/dbraw/zinc/35/02/12/570350212.db2.gz HZLSXVGPVRLKOX-UHFFFAOYSA-N 0 0 376.803 5.602 50 5 GKBARN O=C(NCCC1=CCCCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004872554 570351994 /nfs/dbraw/zinc/35/19/94/570351994.db2.gz BVBNXTRDRNCFAT-OQKWZONESA-N 0 0 376.456 5.142 50 5 GKBARN CCCOc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1OC ZINC000004114668 570358090 /nfs/dbraw/zinc/35/80/90/570358090.db2.gz IRXMSPUJHLTZRT-UHFFFAOYSA-N 0 0 384.439 5.124 50 5 GKBARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3[N+](=O)[O-])c2c1 ZINC000004906130 570359491 /nfs/dbraw/zinc/35/94/91/570359491.db2.gz DFPYYQIQZYFZPW-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cc1c(NC(=O)c2cc3c(s2)c2ccccc2nc3Cl)cccc1[N+](=O)[O-] ZINC000004938386 570374946 /nfs/dbraw/zinc/37/49/46/570374946.db2.gz RQJGLFZQSLVJCR-UHFFFAOYSA-N 0 0 397.843 5.572 50 5 GKBARN O=C(Nc1nc2c(cccc2Cl)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000006321750 570380653 /nfs/dbraw/zinc/38/06/53/570380653.db2.gz XTODKQHHJBVYGE-UHFFFAOYSA-N 0 0 399.815 5.370 50 5 GKBARN Cc1c(NC(=O)c2ccc3c(c2)nc2c(c3Cl)CCCC2)cccc1[N+](=O)[O-] ZINC000004958541 570381348 /nfs/dbraw/zinc/38/13/48/570381348.db2.gz JKMAPLOXGUXOLV-UHFFFAOYSA-N 0 0 395.846 5.236 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1[N+](=O)[O-] ZINC000004957866 570381501 /nfs/dbraw/zinc/38/15/01/570381501.db2.gz VMVKTESUAORMOS-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN Cc1nc(CSc2ccccc2C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000012975322 570383546 /nfs/dbraw/zinc/38/35/46/570383546.db2.gz QTLSYZKQFZEHIK-UHFFFAOYSA-N 0 0 399.497 5.213 50 5 GKBARN O=C(Nc1ccccc1Oc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000006344532 570394130 /nfs/dbraw/zinc/39/41/30/570394130.db2.gz VLNUPJSTFOPOED-UHFFFAOYSA-N 0 0 390.420 5.854 50 5 GKBARN O=c1oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2c2ccccc12 ZINC000004786010 570405697 /nfs/dbraw/zinc/40/56/97/570405697.db2.gz NKMZKWWLLSPXJU-UHFFFAOYSA-N 0 0 392.279 5.221 50 5 GKBARN COc1ccccc1NC(=O)c1ccc(N[C@@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005051464 570406479 /nfs/dbraw/zinc/40/64/79/570406479.db2.gz UJORUEIAHYCNRJ-HNNXBMFYSA-N 0 0 391.427 5.029 50 5 GKBARN C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000005064067 570408970 /nfs/dbraw/zinc/40/89/70/570408970.db2.gz GHYDZEKAXBQMKP-AWEZNQCLSA-N 0 0 395.846 5.674 50 5 GKBARN Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)o2)cc1Cl ZINC000005102993 570418014 /nfs/dbraw/zinc/41/80/14/570418014.db2.gz LQBJFVHIUHFPCO-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN CCCCCc1ccc(-c2ccc(C(=O)Nc3ccccc3[N+](=O)[O-])cc2)nc1 ZINC000005124289 570421126 /nfs/dbraw/zinc/42/11/26/570421126.db2.gz UETXKLLFRRADPE-UHFFFAOYSA-N 0 0 389.455 5.642 50 5 GKBARN Cc1cc2nc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2cc1C ZINC000005152394 570428999 /nfs/dbraw/zinc/42/89/99/570428999.db2.gz GGXKAEPRLYJRCK-UHFFFAOYSA-N 0 0 383.454 5.288 50 5 GKBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(F)c(Cl)c1 ZINC000000843809 570431261 /nfs/dbraw/zinc/43/12/61/570431261.db2.gz BBAYUZLPSNNMAY-LJQANCHMSA-N 0 0 397.793 5.158 50 5 GKBARN CCCCCCC1=NN2[C@H](C1)c1ccccc1O[C@H]2c1ccc([N+](=O)[O-])cc1 ZINC000248205124 570449625 /nfs/dbraw/zinc/44/96/25/570449625.db2.gz ZQZNCMLBAWQKCZ-IRLDBZIGSA-N 0 0 379.460 5.759 50 5 GKBARN C[C@@H](Oc1cc(Cl)ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006551689 570474822 /nfs/dbraw/zinc/47/48/22/570474822.db2.gz PCNWXHQREJQCQJ-SECBINFHSA-N 0 0 380.187 5.092 50 5 GKBARN COc1ccccc1-c1nc2cc3ccccc3cc2nc1-c1ccccc1OC ZINC000002364614 570476066 /nfs/dbraw/zinc/47/60/66/570476066.db2.gz KCZGWHHRTYCFOQ-UHFFFAOYSA-N 0 0 392.458 6.134 50 5 GKBARN O=C(Nc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000005165570 570484653 /nfs/dbraw/zinc/48/46/53/570484653.db2.gz BIROVJNLOMGCOU-WDXRGRCHSA-N 0 0 376.456 5.072 50 5 GKBARN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)cc4oc32)ccc1OC(C)C ZINC000096222601 570486587 /nfs/dbraw/zinc/48/65/87/570486587.db2.gz NQWRGPLNFCGOFN-UHFFFAOYSA-N 0 0 389.411 5.026 50 5 biogenic GKBARN COc1ccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000005173363 570492587 /nfs/dbraw/zinc/49/25/87/570492587.db2.gz SANBFZRIQVPADR-UHFFFAOYSA-N 0 0 398.418 5.735 50 5 GKBARN O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000005217627 570513654 /nfs/dbraw/zinc/51/36/54/570513654.db2.gz WJDZGQBIENXBLE-UHFFFAOYSA-N 0 0 391.427 5.097 50 5 GKBARN Cc1cccc(C)c1NC(=O)COC(=O)c1c2ccccc2cc2ccccc21 ZINC000006643801 570514761 /nfs/dbraw/zinc/51/47/61/570514761.db2.gz PHAJAMSISNJCFH-UHFFFAOYSA-N 0 0 383.447 5.405 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1ccc(Cl)cc1 ZINC000004322630 570558915 /nfs/dbraw/zinc/55/89/15/570558915.db2.gz JDTPMXGCFJOFDD-UHFFFAOYSA-N 0 0 378.715 5.326 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 ZINC000004324451 570559563 /nfs/dbraw/zinc/55/95/63/570559563.db2.gz NVTLULUUOSTOCF-WMZHIEFXSA-N 0 0 386.476 6.125 50 5 GKBARN O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000001852278 570588007 /nfs/dbraw/zinc/58/80/07/570588007.db2.gz UDTYORURSJTGCD-UHFFFAOYSA-N 0 0 398.212 5.244 50 5 GKBARN O=c1c2ccccc2oc2cc(OCc3ccc(Cl)cc3Cl)cc(O)c12 ZINC000005420791 570589416 /nfs/dbraw/zinc/58/94/16/570589416.db2.gz QROOBSQAPFJZKA-UHFFFAOYSA-N 0 0 387.218 5.538 50 5 GKBARN CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C(C)(C)C)c1 ZINC000003219074 570598512 /nfs/dbraw/zinc/59/85/12/570598512.db2.gz DPUARMSPHMPMFB-UHFFFAOYSA-N 0 0 399.447 5.350 50 5 GKBARN Cc1cc(C)c(C)c(S[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000005506450 570616240 /nfs/dbraw/zinc/61/62/40/570616240.db2.gz PSOFBQXOLRALDM-HNNXBMFYSA-N 0 0 383.473 5.732 50 5 GKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OC(C)C ZINC000005516028 570623528 /nfs/dbraw/zinc/62/35/28/570623528.db2.gz OATRMXQHXZLTDX-UHFFFAOYSA-N 0 0 397.478 5.582 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2c3cccn3CCCN2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347780 570630490 /nfs/dbraw/zinc/63/04/90/570630490.db2.gz MSXPWBJFSJQKQT-NRFANRHFSA-N 0 0 399.853 5.184 50 5 GKBARN CC(C)c1ccc([C@H]2c3cccn3CCCN2Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000036348006 570630859 /nfs/dbraw/zinc/63/08/59/570630859.db2.gz JCAGUDKLAZTTCV-DEOSSOPVSA-N 0 0 389.499 5.515 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2ccccc2)c1 ZINC000036348435 570631344 /nfs/dbraw/zinc/63/13/44/570631344.db2.gz LSHVPEPCVZMFKB-NRFANRHFSA-N 0 0 381.863 5.045 50 5 GKBARN O=C(Nc1ccc(F)cc1Cl)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004868651 570641436 /nfs/dbraw/zinc/64/14/36/570641436.db2.gz AXFGSCUUCFUEQK-UHFFFAOYSA-N 0 0 391.830 5.020 50 5 GKBARN Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000004603553 570648062 /nfs/dbraw/zinc/64/80/62/570648062.db2.gz XOZLUEISRFFHKQ-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000004603191 570660159 /nfs/dbraw/zinc/66/01/59/570660159.db2.gz FSEJNMRVOXRVSE-UHFFFAOYSA-N 0 0 397.459 5.441 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3N2)cc1 ZINC000000865035 570663843 /nfs/dbraw/zinc/66/38/43/570663843.db2.gz PYYXCLQARLIQEP-NRFANRHFSA-N 0 0 377.831 5.926 50 5 GKBARN COc1cccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)c1 ZINC000004611710 570666808 /nfs/dbraw/zinc/66/68/08/570666808.db2.gz VDLAIWISRYVGCK-UHFFFAOYSA-N 0 0 399.406 5.071 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Sc1ccccc1)c1ccccc1 ZINC000004614012 570666865 /nfs/dbraw/zinc/66/68/65/570666865.db2.gz OFVQEEAFEUVLQP-LJQANCHMSA-N 0 0 398.871 5.720 50 5 GKBARN COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c([N+](=O)[O-])c1 ZINC000004613854 570666871 /nfs/dbraw/zinc/66/68/71/570666871.db2.gz NHWXWWAMKLRXPK-UHFFFAOYSA-N 0 0 399.406 5.071 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000005615302 570669354 /nfs/dbraw/zinc/66/93/54/570669354.db2.gz BMYZUOVLWJQDRY-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN CCCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 ZINC000032594416 570679822 /nfs/dbraw/zinc/67/98/22/570679822.db2.gz MEZRZTJVIFXBFP-UHFFFAOYSA-N 0 0 397.478 5.583 50 5 GKBARN Cc1cc(C(=C(Cl)Cl)c2cc(C)c(C)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1C ZINC000003129726 570680491 /nfs/dbraw/zinc/68/04/91/570680491.db2.gz FBHDVCBMWKOMRJ-UHFFFAOYSA-N 0 0 395.242 5.931 50 5 GKBARN Cc1ccc(COc2cccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)c2)cc1 ZINC000034680466 570690260 /nfs/dbraw/zinc/69/02/60/570690260.db2.gz UKTOIZPQDINSOP-UHFFFAOYSA-N 0 0 387.395 5.199 50 5 GKBARN Brc1ccc2c3ccc(Br)cc3c3ccccc3c2c1 ZINC000060151950 570740805 /nfs/dbraw/zinc/74/08/05/570740805.db2.gz BPGPBYGXGRDFQG-UHFFFAOYSA-N 0 0 386.086 6.671 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 ZINC000001028994 570747374 /nfs/dbraw/zinc/74/73/74/570747374.db2.gz NVTLULUUOSTOCF-AUSIDOKSSA-N 0 0 386.476 6.125 50 5 GKBARN Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001045077 570748242 /nfs/dbraw/zinc/74/82/42/570748242.db2.gz UXGRKXNPHOMTIW-QFIPXVFZSA-N 0 0 392.480 5.592 50 5 GKBARN CCC1(CC)OC(c2ccc([N+](=O)[O-])o2)=Nc2ccc(Br)cc21 ZINC000001050230 570748630 /nfs/dbraw/zinc/74/86/30/570748630.db2.gz HKKGQXXARJXJBT-UHFFFAOYSA-N 0 0 379.210 5.074 50 5 GKBARN CCCc1nc2c(sc3nc(C)cc(COC)c32)c2nc3ccccc3n21 ZINC000001067694 570749953 /nfs/dbraw/zinc/74/99/53/570749953.db2.gz FRNJQPWRYARBBQ-UHFFFAOYSA-N 0 0 376.485 5.053 50 5 GKBARN O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCCCC1 ZINC000001127695 570754210 /nfs/dbraw/zinc/75/42/10/570754210.db2.gz KRSOPZIGWPOYDY-UHFFFAOYSA-N 0 0 376.865 5.026 50 5 GKBARN CC(=O)c1ccc(OC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])cc1 ZINC000001120697 570754738 /nfs/dbraw/zinc/75/47/38/570754738.db2.gz FPZKKGWZDGIZII-UHFFFAOYSA-N 0 0 393.420 5.168 50 5 GKBARN COc1cccc(-n2c3c(c(=S)nc2-c2cccc([N+](=O)[O-])c2)CCCC3)c1 ZINC000001158730 570757824 /nfs/dbraw/zinc/75/78/24/570757824.db2.gz NOJHTMGLCUQYKZ-UHFFFAOYSA-N 0 0 393.468 5.064 50 5 GKBARN O=C(Oc1cccc([N+](=O)[O-])c1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004425787 570759699 /nfs/dbraw/zinc/75/96/99/570759699.db2.gz YWLIXKBVLOGVQI-UHFFFAOYSA-N 0 0 377.440 5.282 50 5 GKBARN Cc1ccc([C@H]2C[C@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 ZINC000013643595 570765829 /nfs/dbraw/zinc/76/58/29/570765829.db2.gz VRNKRRHPRBRCPM-HZPDHXFCSA-N 0 0 385.496 5.084 50 5 GKBARN Cc1ccc([C@H]2C[C@@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 ZINC000013643589 570766062 /nfs/dbraw/zinc/76/60/62/570766062.db2.gz VRNKRRHPRBRCPM-CVEARBPZSA-N 0 0 385.496 5.084 50 5 GKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000007067922 570779607 /nfs/dbraw/zinc/77/96/07/570779607.db2.gz GTQYSVCVSFQTHY-MRXNPFEDSA-N 0 0 378.428 5.007 50 5 GKBARN CCOC(=O)c1sc2cccc(F)c2c1CNc1cccc([N+](=O)[O-])c1C ZINC000032739716 570785386 /nfs/dbraw/zinc/78/53/86/570785386.db2.gz VAKHVFKKFLFZRX-UHFFFAOYSA-N 0 0 388.420 5.046 50 5 GKBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001176132 570787673 /nfs/dbraw/zinc/78/76/73/570787673.db2.gz ZMKDRHSQFXFBRV-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc1 ZINC000001179374 570789066 /nfs/dbraw/zinc/78/90/66/570789066.db2.gz NSOXXVFFUPYCBX-UHFFFAOYSA-N 0 0 397.460 5.055 50 5 GKBARN C[C@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 ZINC000001181738 570790888 /nfs/dbraw/zinc/79/08/88/570790888.db2.gz JZBUSWXHRCFISV-AOMKIAJQSA-N 0 0 387.439 5.187 50 5 GKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)oc2c1 ZINC000001186613 570791549 /nfs/dbraw/zinc/79/15/49/570791549.db2.gz OOASTMSTHRHOLC-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000001209856 570793987 /nfs/dbraw/zinc/79/39/87/570793987.db2.gz PZSKSBNDAMHCGB-UHFFFAOYSA-N 0 0 387.395 5.218 50 5 GKBARN CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005674337 570795398 /nfs/dbraw/zinc/79/53/98/570795398.db2.gz NABSXXZLUXIJIQ-ISKFKSNPSA-N 0 0 399.450 5.400 50 5 GKBARN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 ZINC000004659227 570805960 /nfs/dbraw/zinc/80/59/60/570805960.db2.gz JUZMXMGLYPBTBJ-MRXNPFEDSA-N 0 0 376.456 5.689 50 5 GKBARN O=c1cc(CSc2n[nH]c(-c3cccs3)n2)c2c(ccc3ccccc32)o1 ZINC000006035400 570815638 /nfs/dbraw/zinc/81/56/38/570815638.db2.gz HIHBAQXBGVNXAH-UHFFFAOYSA-N 0 0 391.477 5.085 50 5 GKBARN C[C@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)C1 ZINC000004519728 570830307 /nfs/dbraw/zinc/83/03/07/570830307.db2.gz KDOMNVROFXAFFA-KBPBESRZSA-N 0 0 388.851 5.159 50 5 GKBARN Cc1ccc2oc(-c3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3Cl)nc2c1 ZINC000004538211 570849745 /nfs/dbraw/zinc/84/97/45/570849745.db2.gz AVKKSKWLIAFYEU-UHFFFAOYSA-N 0 0 397.774 5.210 50 5 GKBARN Cc1cc2c(cc1C)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102649237 570855478 /nfs/dbraw/zinc/85/54/78/570855478.db2.gz ULNHFYQGTZCOJL-QFIPXVFZSA-N 0 0 391.471 6.083 50 5 GKBARN CCCOc1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000004543850 570855648 /nfs/dbraw/zinc/85/56/48/570855648.db2.gz OSHZNHBHDUAOGL-UHFFFAOYSA-N 0 0 389.498 7.511 50 5 GKBARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004545691 570855998 /nfs/dbraw/zinc/85/59/98/570855998.db2.gz UTHKUZZXJNATCR-UGSOOPFHSA-N 0 0 399.516 5.626 50 5 GKBARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004545547 570856860 /nfs/dbraw/zinc/85/68/60/570856860.db2.gz PACITYLYJIACQT-SGTLLEGYSA-N 0 0 399.516 5.626 50 5 GKBARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004725253 570863267 /nfs/dbraw/zinc/86/32/67/570863267.db2.gz AQHXKUIRIAYGMT-UHFFFAOYSA-N 0 0 398.422 5.008 50 5 GKBARN CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)F)cc1 ZINC000044088201 570863319 /nfs/dbraw/zinc/86/33/19/570863319.db2.gz KLTGFCUNVRKDJV-UHFFFAOYSA-N 0 0 391.399 5.161 50 5 GKBARN CCCCCCC1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1 ZINC000005711688 570863903 /nfs/dbraw/zinc/86/39/03/570863903.db2.gz ZQZNCMLBAWQKCZ-IFMALSPDSA-N 0 0 379.460 5.759 50 5 GKBARN O=[N+]([O-])c1ccc(NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000017077080 570926164 /nfs/dbraw/zinc/92/61/64/570926164.db2.gz OXZJFUHNZJMTNP-UHFFFAOYSA-N 0 0 376.652 5.364 50 5 GKBARN CCCCC1CCC(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)CC1 ZINC000004079015 570931060 /nfs/dbraw/zinc/93/10/60/570931060.db2.gz OKTNDLCIDHUAEA-UHFFFAOYSA-N 0 0 388.493 5.048 50 5 GKBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000004078847 570931109 /nfs/dbraw/zinc/93/11/09/570931109.db2.gz QUTBASDYIHRSNT-FPYGCLRLSA-N 0 0 391.861 5.085 50 5 GKBARN O=[N+]([O-])c1ccc(Oc2ccc(-c3ccccc3)c(F)c2)c(Br)c1 ZINC000004092062 570934291 /nfs/dbraw/zinc/93/42/91/570934291.db2.gz WPWWYTBRHGCGOZ-UHFFFAOYSA-N 0 0 388.192 5.956 50 5 GKBARN Cc1cccc(C(C)C)c1N1COc2c(C)c3oc(=O)c4ccccc4c3cc2C1 ZINC000002117176 570952970 /nfs/dbraw/zinc/95/29/70/570952970.db2.gz DJJJVUVJNPXHNO-UHFFFAOYSA-N 0 0 399.490 6.043 50 5 biogenic GKBARN O=c1oc2c(ccc3c2CN(c2ccc(C(F)(F)F)cc2)CO3)c2ccccc12 ZINC000002121044 570955927 /nfs/dbraw/zinc/95/59/27/570955927.db2.gz OWYMJVVOOIAAFF-UHFFFAOYSA-N 0 0 397.352 5.322 50 5 biogenic GKBARN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)ccc1Cl ZINC000025782090 570958887 /nfs/dbraw/zinc/95/88/87/570958887.db2.gz RDGUKPMHFCXRJR-OXJNMPFZSA-N 0 0 395.802 5.084 50 5 GKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000004760452 570963494 /nfs/dbraw/zinc/96/34/94/570963494.db2.gz AGARVCCQEZFBJW-UHFFFAOYSA-N 0 0 394.136 5.564 50 5 GKBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004758399 570963869 /nfs/dbraw/zinc/96/38/69/570963869.db2.gz MTWCOZCTRZVDQN-UHFFFAOYSA-N 0 0 387.867 5.189 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Oc1ccc(-c2ccccc2)cc1Cl ZINC000004765217 570969664 /nfs/dbraw/zinc/96/96/64/570969664.db2.gz QMHXHJPKZWNUTI-UHFFFAOYSA-N 0 0 398.802 5.535 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(SC(F)(F)F)cc1 ZINC000002154434 570972586 /nfs/dbraw/zinc/97/25/86/570972586.db2.gz MIYROMAFRWPENM-UHFFFAOYSA-N 0 0 383.269 6.018 50 5 GKBARN C[C@@]1(c2ccccc2)CCN2CC[C@@](C)(c3ccccc3)c3cc([N+](=O)[O-])cc1c32 ZINC000004181169 570982994 /nfs/dbraw/zinc/98/29/94/570982994.db2.gz ARFDAFPFUOXGEM-UIOOFZCWSA-N 0 0 398.506 5.821 50 5 GKBARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000001410895 570986064 /nfs/dbraw/zinc/98/60/64/570986064.db2.gz MNXSOSZJYWAUOX-UHFFFAOYSA-N 0 0 380.014 5.461 50 5 GKBARN CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1[N+](=O)[O-] ZINC000004818974 570998089 /nfs/dbraw/zinc/99/80/89/570998089.db2.gz MZDMBIFPIMJROA-UHFFFAOYSA-N 0 0 384.439 5.385 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(OCc2ccccc2)c1 ZINC000007668575 571013677 /nfs/dbraw/zinc/01/36/77/571013677.db2.gz HHUUGUVPXBTSHA-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN Cc1cc(Oc2cccc(C)c2C)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000037510402 571021299 /nfs/dbraw/zinc/02/12/99/571021299.db2.gz LKPNUDLETPSFJU-UHFFFAOYSA-N 0 0 381.457 5.395 50 5 GKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2c1 ZINC000046086366 571023041 /nfs/dbraw/zinc/02/30/41/571023041.db2.gz HCCNATSGZBDAIM-UHFFFAOYSA-N 0 0 382.416 5.389 50 5 GKBARN O=[N+]([O-])c1ccc(COc2ccc(-c3noc(-c4cccc(F)c4)n3)cc2)cc1 ZINC000037553936 571030528 /nfs/dbraw/zinc/03/05/28/571030528.db2.gz ANXYXLAQZYUVAS-UHFFFAOYSA-N 0 0 391.358 5.030 50 5 GKBARN Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c3ccccc3c(=O)oc12 ZINC000002125623 230824226 /nfs/dbraw/zinc/82/42/26/230824226.db2.gz HENQBVRFUNYWRC-UHFFFAOYSA-N 0 0 376.411 6.821 50 5 biogenic GKBARN Cc1c(-c2cccc(C)c2)nn(Cc2ccc([N+](=O)[O-])cc2)c1-c1cccc(C)c1 ZINC000017081293 210204338 /nfs/dbraw/zinc/20/43/38/210204338.db2.gz XUAITKRUGMTYSH-UHFFFAOYSA-N 0 0 397.478 6.099 50 5 GKBARN Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000016955827 210199670 /nfs/dbraw/zinc/19/96/70/210199670.db2.gz ZDAGDLKZZMJKBW-GOSISDBHSA-N 0 0 386.477 5.029 50 5 GKBARN COC(=O)CSc1cc([N+](=O)[O-])cc2sc(-c3ccccc3)c(Cl)c21 ZINC000015084458 210152703 /nfs/dbraw/zinc/15/27/03/210152703.db2.gz QTEKZHIFAPKEAJ-UHFFFAOYSA-N 0 0 393.873 5.395 50 5 GKBARN Cc1ccc2cc(CN(C)Cc3cc([N+](=O)[O-])ccc3Cl)c(Cl)nc2c1 ZINC000013003314 210045789 /nfs/dbraw/zinc/04/57/89/210045789.db2.gz MUIWTGKXIGKJMY-UHFFFAOYSA-N 0 0 390.270 5.390 50 5 GKBARN COc1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1OC ZINC000007848083 209749591 /nfs/dbraw/zinc/74/95/91/209749591.db2.gz ZVFDIVHHTVCEBF-UHFFFAOYSA-N 0 0 386.407 5.494 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(COc2ccc(Cl)cc2)c1 ZINC000005891604 209621405 /nfs/dbraw/zinc/62/14/05/209621405.db2.gz WIHGWOHPUDVREB-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004970105 209553908 /nfs/dbraw/zinc/55/39/08/209553908.db2.gz PZCRXMDWDKQWSV-UHFFFAOYSA-N 0 0 398.397 5.596 50 5 GKBARN CCCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000004833559 209530964 /nfs/dbraw/zinc/53/09/64/209530964.db2.gz AULYVCOEGZVKQQ-UHFFFAOYSA-N 0 0 393.317 5.465 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000004658853 209505870 /nfs/dbraw/zinc/50/58/70/209505870.db2.gz OJIGACYBHMTUOD-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2Cl)N1Cc1ccccc1 ZINC000002744967 209380816 /nfs/dbraw/zinc/38/08/16/209380816.db2.gz HHHMDDGNYKZGHM-HXUWFJFHSA-N 0 0 393.830 5.015 50 5 GKBARN O=c1cc(CSc2ccc3c(c2)OCCO3)c2c(ccc3ccccc32)o1 ZINC000002652937 209375552 /nfs/dbraw/zinc/37/55/52/209375552.db2.gz CTAYMLPXGKYWCR-UHFFFAOYSA-N 0 0 376.433 5.010 50 5 GKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccc(Cl)cc3)c21 ZINC000002211505 209350281 /nfs/dbraw/zinc/35/02/81/209350281.db2.gz AMYGGASBRJYMEV-UHFFFAOYSA-N 0 0 387.870 5.779 50 5 GKBARN COc1cc([N+](=O)[O-])cc2c1O[C@@]1(C=Cc3c(ccc4ccccc43)O1)C(C)=C2 ZINC000001511623 209332889 /nfs/dbraw/zinc/33/28/89/209332889.db2.gz WSSNRGCGDFEQCZ-QHCPKHFHSA-N 0 0 387.391 5.354 50 5 GKBARN Cc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000001860129 209341575 /nfs/dbraw/zinc/34/15/75/209341575.db2.gz HSPOOPDJOIIATB-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN CCCCCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000001825912 209340428 /nfs/dbraw/zinc/34/04/28/209340428.db2.gz ZKZLKHZJKYFUPE-UHFFFAOYSA-N 0 0 395.506 6.355 50 5 GKBARN CC(C)(C)CC(C)(C)c1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000001776103 209338364 /nfs/dbraw/zinc/33/83/64/209338364.db2.gz YTJLLSKDQUSXLR-NTEUORMPSA-N 0 0 381.472 5.927 50 5 GKBARN O=[N+]([O-])c1cc(Oc2ccccc2)cc(Oc2ccc(Br)cc2)c1 ZINC000001516074 209331850 /nfs/dbraw/zinc/33/18/50/209331850.db2.gz LWBMCXLBQLBHPG-UHFFFAOYSA-N 0 0 386.201 5.942 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC000001234438 209318108 /nfs/dbraw/zinc/31/81/08/209318108.db2.gz PMEIIPJPQHVMQU-GOSISDBHSA-N 0 0 392.842 5.193 50 5 GKBARN COC(=O)c1ccc(Oc2cc(Oc3cccc(Cl)c3)cc([N+](=O)[O-])c2)cc1 ZINC000001226271 209316366 /nfs/dbraw/zinc/31/63/66/209316366.db2.gz HNUILTWYPBQHIF-UHFFFAOYSA-N 0 0 399.786 5.619 50 5 GKBARN Cc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccc3ccccc3c2)cc1 ZINC000001230284 209316470 /nfs/dbraw/zinc/31/64/70/209316470.db2.gz KNNSMKQNTHTZDB-UHFFFAOYSA-N 0 0 382.419 6.035 50 5 GKBARN Cc1ccc2c(c1)sc1nc(-c3cc4c(ccc5ccccc54)oc3=O)cn21 ZINC000001184428 209311488 /nfs/dbraw/zinc/31/14/88/209311488.db2.gz NTWPJNWZPKNWGS-UHFFFAOYSA-N 0 0 382.444 5.784 50 5 GKBARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001166955 209308178 /nfs/dbraw/zinc/30/81/78/209308178.db2.gz GUNSDLFENWMOIQ-UHFFFAOYSA-N 0 0 394.258 5.144 50 5 GKBARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000001145230 209306652 /nfs/dbraw/zinc/30/66/52/209306652.db2.gz RMHRQCXMNYKKNE-SECBINFHSA-N 0 0 380.187 5.092 50 5 GKBARN CC(=O)c1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000001141127 209304658 /nfs/dbraw/zinc/30/46/58/209304658.db2.gz QOHUQCONBIESPG-UHFFFAOYSA-N 0 0 397.814 5.822 50 5 GKBARN O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000001121231 209303659 /nfs/dbraw/zinc/30/36/59/209303659.db2.gz ANRVFWLUCOJJTN-FQEVSTJZSA-N 0 0 395.798 5.029 50 5 GKBARN CC(=O)c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 ZINC000001109201 209301708 /nfs/dbraw/zinc/30/17/08/209301708.db2.gz KRMJGUIELNHLDM-UHFFFAOYSA-N 0 0 385.379 5.200 50 5 GKBARN Cc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc(Oc3ccc(Cl)cc3)c1C(=O)N2 ZINC000001097647 209299036 /nfs/dbraw/zinc/29/90/36/209299036.db2.gz ZQOIAUYEJQVMRH-UHFFFAOYSA-N 0 0 396.786 5.707 50 5 GKBARN CCOc1ccc([C@H]2Oc3ccc4ccccc4c3C=C2[N+](=O)[O-])cc1OCC ZINC000001070480 209297225 /nfs/dbraw/zinc/29/72/25/209297225.db2.gz BZZSKRSKMWRVNT-HSZRJFAPSA-N 0 0 391.423 5.389 50 5 GKBARN Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cccc1[N+](=O)[O-] ZINC000001076764 209296591 /nfs/dbraw/zinc/29/65/91/209296591.db2.gz FETJGFXUPTVLIR-UHFFFAOYSA-N 0 0 381.240 5.677 50 5 GKBARN O=C1c2ccccc2S[C@@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 ZINC000001060522 209294836 /nfs/dbraw/zinc/29/48/36/209294836.db2.gz LIROUGBYAOFTDQ-NRFANRHFSA-N 0 0 376.437 5.042 50 5 GKBARN COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] ZINC000001062540 209294882 /nfs/dbraw/zinc/29/48/82/209294882.db2.gz SWHBFRQPTFISGH-UHFFFAOYSA-N 0 0 380.425 5.007 50 5 GKBARN CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000000948611 209281650 /nfs/dbraw/zinc/28/16/50/209281650.db2.gz YEGHZYBSVOVCKP-UHFFFAOYSA-N 0 0 385.807 5.025 50 5 GKBARN O=C(Nc1ncc(Cc2cccc([N+](=O)[O-])c2)s1)c1cccc2ccccc21 ZINC000000872908 209273978 /nfs/dbraw/zinc/27/39/78/209273978.db2.gz NGPKPRTYFFGZPM-UHFFFAOYSA-N 0 0 389.436 5.048 50 5 GKBARN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccccc1 ZINC000000869187 209274646 /nfs/dbraw/zinc/27/46/46/209274646.db2.gz NUDNUVDZJGCHOY-UHFFFAOYSA-N 0 0 378.409 5.054 50 5 GKBARN Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000825680 209269591 /nfs/dbraw/zinc/26/95/91/209269591.db2.gz HZXUUFOXHMBHIE-QFIPXVFZSA-N 0 0 386.451 5.156 50 5 GKBARN O=[N+]([O-])C[C@H](c1cccs1)c1c2ccccc2[nH]c1-c1ccc(Cl)cc1 ZINC000000723784 209262717 /nfs/dbraw/zinc/26/27/17/209262717.db2.gz AAPUGBCTZWAROO-MRXNPFEDSA-N 0 0 382.872 5.958 50 5 GKBARN O=C(COc1ccc2c(c1)oc(=O)c1ccccc21)c1ccc2ccccc2c1 ZINC000000622108 209250356 /nfs/dbraw/zinc/25/03/56/209250356.db2.gz PNJJTJYZHKHCQE-UHFFFAOYSA-N 0 0 380.399 5.361 50 5 GKBARN CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000002025698 212262027 /nfs/dbraw/zinc/26/20/27/212262027.db2.gz LUMZEEBSMVLNLO-DEOSSOPVSA-N 0 0 384.435 5.826 50 5 GKBARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1[N+](=O)[O-] ZINC000001509755 212248564 /nfs/dbraw/zinc/24/85/64/212248564.db2.gz VJSFILHSXAPWOA-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(F)cc4)n3)o2)cc1 ZINC000001454214 212245607 /nfs/dbraw/zinc/24/56/07/212245607.db2.gz PSJGPDGSIBOMCN-UHFFFAOYSA-N 0 0 381.388 5.861 50 5 GKBARN O=C(Nc1cccc(Cl)c1)OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1 ZINC000001392287 212241277 /nfs/dbraw/zinc/24/12/77/212241277.db2.gz JUCCRTFJRAYSAZ-UHFFFAOYSA-N 0 0 398.802 5.789 50 5 GKBARN Cc1cccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3n2)c1 ZINC000001200409 212228320 /nfs/dbraw/zinc/22/83/20/212228320.db2.gz DCGKPYNARPVFDH-UHFFFAOYSA-N 0 0 397.434 5.679 50 5 GKBARN Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000001185368 212227255 /nfs/dbraw/zinc/22/72/55/212227255.db2.gz YPGRLEXASDTPIR-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN CCCc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1cc(C)ccc1C ZINC000001186659 212227046 /nfs/dbraw/zinc/22/70/46/212227046.db2.gz ONYJTVVCADLAQW-UHFFFAOYSA-N 0 0 395.484 5.540 50 5 GKBARN Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000001176025 212225867 /nfs/dbraw/zinc/22/58/67/212225867.db2.gz BVLDHADXVJYMOS-UHFFFAOYSA-N 0 0 398.422 5.008 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(OCc2ccccc2)cc1 ZINC000001170046 212225510 /nfs/dbraw/zinc/22/55/10/212225510.db2.gz SBBDSLXONNWTSK-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN CC(=O)c1ccccc1OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000001141131 212221426 /nfs/dbraw/zinc/22/14/26/212221426.db2.gz BYXDEQDMAYHNNE-UHFFFAOYSA-N 0 0 397.814 5.822 50 5 GKBARN CCC1(CC)O[C@@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000001089653 212216776 /nfs/dbraw/zinc/21/67/76/212216776.db2.gz REWALISLSIOGMX-NRFANRHFSA-N 0 0 377.444 5.542 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2nnc(SCc3ccccc3)s2)cc1 ZINC000001088240 212216050 /nfs/dbraw/zinc/21/60/50/212216050.db2.gz GVQVPWIXBYSXAK-UHFFFAOYSA-N 0 0 375.500 5.031 50 5 GKBARN Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000001045083 212209450 /nfs/dbraw/zinc/20/94/50/212209450.db2.gz HBSFQQKLTZDQKW-NRFANRHFSA-N 0 0 378.453 5.283 50 5 GKBARN COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(-n3cccc3)c21 ZINC000001068587 212211970 /nfs/dbraw/zinc/21/19/70/212211970.db2.gz VRSMQPKQGHAQHK-UHFFFAOYSA-N 0 0 379.441 5.117 50 5 GKBARN O=C1c2ccccc2S[C@H](c2ccc([N+](=O)[O-])cc2)N1Cc1ccccc1 ZINC000001060521 212210682 /nfs/dbraw/zinc/21/06/82/212210682.db2.gz LIROUGBYAOFTDQ-OAQYLSRUSA-N 0 0 376.437 5.042 50 5 GKBARN O=C1c2ccccc2N[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2ccccc2c1 ZINC000001022962 212205904 /nfs/dbraw/zinc/20/59/04/212205904.db2.gz KHWTYLLQWZFVRO-QHCPKHFHSA-N 0 0 395.418 5.519 50 5 GKBARN O=C(Nc1ccncc1)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1 ZINC000001025177 212205523 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Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)c(Br)c1 ZINC000000675339 212171931 /nfs/dbraw/zinc/17/19/31/212171931.db2.gz BNHUWQVBKYPFSQ-UHFFFAOYSA-N 0 0 391.265 5.216 50 5 GKBARN O=C(Nc1cc(Cl)ccc1O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000675551 212171796 /nfs/dbraw/zinc/17/17/96/212171796.db2.gz NVVLSGFMFCZWHM-UHFFFAOYSA-N 0 0 383.212 5.074 50 5 GKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1cccc(C(C)=O)c1 ZINC000000706915 212175017 /nfs/dbraw/zinc/17/50/17/212175017.db2.gz HCDSBKCPTKRBJS-UHFFFAOYSA-N 0 0 384.435 5.511 50 5 GKBARN COC(=O)C12CC=CCC1(C(=O)c1cc3ccccc3c3ccccc13)CC=CC2 ZINC000045070901 212043211 /nfs/dbraw/zinc/04/32/11/212043211.db2.gz BIXRHCYKVDHVEP-UHFFFAOYSA-N 0 0 396.486 6.022 50 5 GKBARN Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccc(C)cc1 ZINC000000947324 203866816 /nfs/dbraw/zinc/86/68/16/203866816.db2.gz HUDWTNPSDGZHNN-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN C[C@H](Oc1ccccc1)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001067037 203879007 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50 5 GKBARN CC(C)(C)c1ccc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000002162693 203928836 /nfs/dbraw/zinc/92/88/36/203928836.db2.gz FYIVYADTFJAGSZ-UHFFFAOYSA-N 0 0 384.310 5.612 50 5 GKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc(C)cc1 ZINC000002223578 203931177 /nfs/dbraw/zinc/93/11/77/203931177.db2.gz XQIOICASHVRJIA-UHFFFAOYSA-N 0 0 383.451 5.134 50 5 GKBARN Cc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccccc1OC(C)C ZINC000002206677 203931227 /nfs/dbraw/zinc/93/12/27/203931227.db2.gz CEAMRWGUTCZNJE-UHFFFAOYSA-N 0 0 381.479 5.882 50 5 GKBARN O=C1c2ccccc2-c2c1c(-c1ccccc1Cl)nc1ccc3ccccc3c21 ZINC000002300367 203936803 /nfs/dbraw/zinc/93/68/03/203936803.db2.gz IZQHYWHDGZHMGX-UHFFFAOYSA-N 0 0 391.857 6.920 50 5 GKBARN O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1 ZINC000002963171 203978185 /nfs/dbraw/zinc/97/81/85/203978185.db2.gz OADVVOQFUZSVBE-UHFFFAOYSA-N 0 0 376.415 6.630 50 5 GKBARN COc1ccccc1C1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000004336170 204039776 /nfs/dbraw/zinc/03/97/76/204039776.db2.gz VDYIHQPBAQVQQX-UHFFFAOYSA-N 0 0 380.366 5.006 50 5 GKBARN O=c1oc2cc(OCc3cccc(Oc4ccccc4)c3)ccc2c2ccccc21 ZINC000004024113 204024224 /nfs/dbraw/zinc/02/42/24/204024224.db2.gz WMSVJHWIVHFEGH-UHFFFAOYSA-N 0 0 394.426 6.318 50 5 biogenic GKBARN O=[N+]([O-])c1cc(CSc2ccccc2)ccc1Sc1ccc(Cl)cc1 ZINC000004085086 204026175 /nfs/dbraw/zinc/02/61/75/204026175.db2.gz GDPGZUREZBTXED-UHFFFAOYSA-N 0 0 387.913 6.692 50 5 GKBARN CC(C)(C)c1ccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])cc1 ZINC000004181133 204031844 /nfs/dbraw/zinc/03/18/44/204031844.db2.gz RKLBNRJBRUXUBF-UHFFFAOYSA-N 0 0 397.519 5.374 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000004247895 204034172 /nfs/dbraw/zinc/03/41/72/204034172.db2.gz QUDKPBNUTFCSPQ-YLJYHZDGSA-N 0 0 395.802 5.084 50 5 GKBARN COc1ccc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000004806625 204076482 /nfs/dbraw/zinc/07/64/82/204076482.db2.gz KJQMUJRTYRQDIC-UHFFFAOYSA-N 0 0 399.406 5.071 50 5 GKBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1C(F)(F)F ZINC000004841614 204081957 /nfs/dbraw/zinc/08/19/57/204081957.db2.gz MNUVXRMFSQYUHE-UHFFFAOYSA-N 0 0 386.329 5.533 50 5 GKBARN Cc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000004402360 204043639 /nfs/dbraw/zinc/04/36/39/204043639.db2.gz XHDZZNNAKUQPBX-JOCHJYFZSA-N 0 0 375.403 5.398 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOC12CC3CC(CC(C3)C1)C2 ZINC000004575196 204054038 /nfs/dbraw/zinc/05/40/38/204054038.db2.gz KAMIOEFCVRYMMP-UHFFFAOYSA-N 0 0 384.398 5.011 50 5 GKBARN CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c(-c4ccc([N+](=O)[O-])cc4)cn1c32 ZINC000004608297 204057167 /nfs/dbraw/zinc/05/71/67/204057167.db2.gz WOOQHZSUQVAJTG-SANMLTNESA-N 0 0 396.490 6.661 50 5 GKBARN CC(C)(C)c1ccc(-c2nn3cc(-c4cccc([N+](=O)[O-])c4)nc3s2)cc1 ZINC000004663904 204060641 /nfs/dbraw/zinc/06/06/41/204060641.db2.gz NTSOGWBKEGJAPT-UHFFFAOYSA-N 0 0 378.457 5.331 50 5 GKBARN CC(C)c1ccc(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004668260 204061514 /nfs/dbraw/zinc/06/15/14/204061514.db2.gz ZEVLAWOUVIHXEM-CALCHBBNSA-N 0 0 395.503 5.453 50 5 GKBARN COc1cccc(NC(=O)c2ccc(NCCC3=CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000004668238 204062367 /nfs/dbraw/zinc/06/23/67/204062367.db2.gz SHZZADVMIXZIRO-UHFFFAOYSA-N 0 0 395.459 5.158 50 5 GKBARN CSc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005362217 204128238 /nfs/dbraw/zinc/12/82/38/204128238.db2.gz KWFKUNFTMGGWIC-UHFFFAOYSA-N 0 0 391.663 5.529 50 5 GKBARN Cc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc(C)cc3)nn2)cc1 ZINC000005014189 204102469 /nfs/dbraw/zinc/10/24/69/204102469.db2.gz UVUFQTMRGNXQPF-UHFFFAOYSA-N 0 0 381.435 6.003 50 5 GKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(COc2ccccc2Cl)cc1 ZINC000005013540 204102749 /nfs/dbraw/zinc/10/27/49/204102749.db2.gz JPCKMFDLAKRAFH-UHFFFAOYSA-N 0 0 397.814 5.184 50 5 GKBARN CC1=NC(=O)/C(=C\c2c3ccccc3cc3ccccc32)N(C)N1c1ccccc1 ZINC000005500776 204135655 /nfs/dbraw/zinc/13/56/55/204135655.db2.gz HTKYIXHDTLRBNW-KOEQRZSOSA-N 0 0 391.474 5.646 50 5 GKBARN CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000005674338 204145820 /nfs/dbraw/zinc/14/58/20/204145820.db2.gz HLULPTFLWNOVDY-ISKFKSNPSA-N 0 0 399.450 5.400 50 5 GKBARN CCc1cccc2c([C@@H](CC(=O)N[C@@H](C)CC)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006834261 204213897 /nfs/dbraw/zinc/21/38/97/204213897.db2.gz SUDPLVPSNYASOJ-YWZLYKJASA-N 0 0 393.487 5.075 50 5 GKBARN CCc1cccc2c([C@H](CC(=O)N[C@@H](C)CC)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006834262 204214048 /nfs/dbraw/zinc/21/40/48/204214048.db2.gz SUDPLVPSNYASOJ-MGPUTAFESA-N 0 0 393.487 5.075 50 5 GKBARN C[C@H](Oc1cc(Cl)ccc1Cl)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006551687 204183537 /nfs/dbraw/zinc/18/35/37/204183537.db2.gz PCNWXHQREJQCQJ-VIFPVBQESA-N 0 0 380.187 5.092 50 5 GKBARN O=C(Nc1ccc2c(c1)oc1c(Cl)cccc1c2=O)c1ccccc1Cl ZINC000006661056 204190300 /nfs/dbraw/zinc/19/03/00/204190300.db2.gz ZVXZWRXVOQRGRM-UHFFFAOYSA-N 0 0 384.218 5.505 50 5 GKBARN O=C(Cn1c2ccccc2c(=O)c2ccc(Cl)cc21)Nc1cccc(Cl)c1 ZINC000006720480 204194455 /nfs/dbraw/zinc/19/44/55/204194455.db2.gz YQZKNTMLHZWQLV-UHFFFAOYSA-N 0 0 397.261 5.100 50 5 GKBARN CC[C@@H](Nc1ccc(-c2nc(-c3ccco3)no2)cc1[N+](=O)[O-])c1ccccc1 ZINC000008586928 204280495 /nfs/dbraw/zinc/28/04/95/204280495.db2.gz XTBWOSGPOLIBMR-MRXNPFEDSA-N 0 0 390.399 5.468 50 5 aggregator GKBARN CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009866834 204326329 /nfs/dbraw/zinc/32/63/29/204326329.db2.gz OEIUNUWYYFPUCA-CHWSQXEVSA-N 0 0 376.840 5.168 50 5 GKBARN O=C(Nc1nc(-c2cccnc2)cs1)c1cc2ccccc2c2cccnc12 ZINC000225508216 211903118 /nfs/dbraw/zinc/90/31/18/211903118.db2.gz JUADQMLFJLOSEE-UHFFFAOYSA-N 0 0 382.448 5.159 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2ccccc2)c1 ZINC000036348436 205013643 /nfs/dbraw/zinc/01/36/43/205013643.db2.gz LSHVPEPCVZMFKB-OAQYLSRUSA-N 0 0 381.863 5.045 50 5 GKBARN Cc1ccc(CN2CCCn3cccc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000037523497 205027140 /nfs/dbraw/zinc/02/71/40/205027140.db2.gz PLHLFUDUGOQXDJ-QHCPKHFHSA-N 0 0 375.472 5.008 50 5 GKBARN Cc1cc(Oc2ccc(F)cc2F)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000037510398 205027471 /nfs/dbraw/zinc/02/74/71/205027471.db2.gz HZONDLLFNGBWOR-UHFFFAOYSA-N 0 0 389.383 5.056 50 5 GKBARN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@@H](C)c1cc2ccccc2o1 ZINC000065702391 205239547 /nfs/dbraw/zinc/23/95/47/205239547.db2.gz LBIXUNVSTFBXMG-ZDUSSCGKSA-N 0 0 377.400 5.046 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344880 205384769 /nfs/dbraw/zinc/38/47/69/205384769.db2.gz XGTHAYIBGQYGDD-QWHCGFSZSA-N 0 0 385.634 5.297 50 5 GKBARN O=[N+]([O-])c1cc2c(cc1-c1nc(-c3ccccc3)c(-c3ccccc3)[nH]1)OCO2 ZINC000000809048 205696802 /nfs/dbraw/zinc/69/68/02/205696802.db2.gz BWSCSUAZTWLAMK-UHFFFAOYSA-N 0 0 385.379 5.048 50 5 GKBARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007401725 205784773 /nfs/dbraw/zinc/78/47/73/205784773.db2.gz AFFOXLYXWZEDPF-OAHLLOKOSA-N 0 0 386.517 5.961 50 5 GKBARN O=[N+]([O-])c1ccc(/C(=C/c2ccc(Br)cc2)c2ccncc2)cc1 ZINC000033676936 206302800 /nfs/dbraw/zinc/30/28/00/206302800.db2.gz YIUTYJXHGPEIAA-UYRXBGFRSA-N 0 0 381.229 5.341 50 5 GKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000647346 206311488 /nfs/dbraw/zinc/31/14/88/206311488.db2.gz FFGLRXUFURGDQJ-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN Cc1nc2c3cc4ccccc4nc3sc2c(=O)n1-c1ccc(Cl)cc1 ZINC000000643065 206311702 /nfs/dbraw/zinc/31/17/02/206311702.db2.gz RJSYSGQRYSTILH-UHFFFAOYSA-N 0 0 377.856 5.110 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(C)c1 ZINC000000682607 206316219 /nfs/dbraw/zinc/31/62/19/206316219.db2.gz GSVGSHLQEFNXMG-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000000706970 206318365 /nfs/dbraw/zinc/31/83/65/206318365.db2.gz CSJNBRRCFGCQSE-OAQYLSRUSA-N 0 0 386.451 5.561 50 5 GKBARN Cc1ccc(C(=O)c2cccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)c2)cc1C ZINC000000716333 206319570 /nfs/dbraw/zinc/31/95/70/206319570.db2.gz YAIBUGQORRXFRZ-UHFFFAOYSA-N 0 0 388.423 5.003 50 5 GKBARN Cc1cccc2oc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)c3)nc21 ZINC000000824623 206324996 /nfs/dbraw/zinc/32/49/96/206324996.db2.gz ZTEAJZXXEMOKNF-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nc2c1 ZINC000000824697 206325570 /nfs/dbraw/zinc/32/55/70/206325570.db2.gz DUQZSRLBPPMIDK-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c1 ZINC000000937381 206335582 /nfs/dbraw/zinc/33/55/82/206335582.db2.gz NMDGUZKJQVULSJ-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(OCc2ccccc2)c1 ZINC000001137619 206358003 /nfs/dbraw/zinc/35/80/03/206358003.db2.gz JCCXOIAQCRKOTL-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN Cc1ccc2nc(C)n3c4ccccc4c(NC(=O)Cc4ccccc4)c3c2c1 ZINC000000977850 206338993 /nfs/dbraw/zinc/33/89/93/206338993.db2.gz SALNSBJIANNWOQ-UHFFFAOYSA-N 0 0 379.463 5.439 50 5 GKBARN CCOC(=O)c1ccc(Oc2ccc(C3SCCS3)cc2)c([N+](=O)[O-])c1 ZINC000001047420 206345365 /nfs/dbraw/zinc/34/53/65/206345365.db2.gz SOBBKZLOYQLZPI-UHFFFAOYSA-N 0 0 391.470 5.042 50 5 GKBARN CCN1c2ccccc2Oc2cc(Oc3ccccc3)cc([N+](=O)[O-])c2C1=O ZINC000001071847 206348266 /nfs/dbraw/zinc/34/82/66/206348266.db2.gz WCKXBSASDANPJE-UHFFFAOYSA-N 0 0 376.368 5.160 50 5 GKBARN O=C(COc1cccc2c1ccc1c3c(c(=O)oc21)CCCC3)c1ccccc1 ZINC000001064359 206348544 /nfs/dbraw/zinc/34/85/44/206348544.db2.gz KSMJOEUDXTXVCG-UHFFFAOYSA-N 0 0 384.431 5.087 50 5 GKBARN CC(=O)c1cccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)c1 ZINC000001140859 206358400 /nfs/dbraw/zinc/35/84/00/206358400.db2.gz QZVQCYVVMXOFOE-UHFFFAOYSA-N 0 0 397.814 5.822 50 5 GKBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(CSc2ccccc2)cc1 ZINC000001130878 206356932 /nfs/dbraw/zinc/35/69/32/206356932.db2.gz ZVVIXJGSGXWBQR-UHFFFAOYSA-N 0 0 378.453 5.068 50 5 GKBARN O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000001297348 206372247 /nfs/dbraw/zinc/37/22/47/206372247.db2.gz XCARLISUPDSGHV-UHFFFAOYSA-N 0 0 377.787 5.651 50 5 GKBARN Cc1cccc(C)c1NC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000001401446 206379635 /nfs/dbraw/zinc/37/96/35/206379635.db2.gz LNRGHTGTPUYTQU-UHFFFAOYSA-N 0 0 386.404 5.457 50 5 GKBARN COc1ccc(-c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1 ZINC000001650062 206388349 /nfs/dbraw/zinc/38/83/49/206388349.db2.gz QKLJNZJRPPHLQV-UHFFFAOYSA-N 0 0 385.444 5.745 50 5 GKBARN Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000001169199 206363216 /nfs/dbraw/zinc/36/32/16/206363216.db2.gz QJGGMGWTIVWXOP-UHFFFAOYSA-N 0 0 386.411 5.007 50 5 GKBARN O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000001204034 206366494 /nfs/dbraw/zinc/36/64/94/206366494.db2.gz LEYOJOOCJJCIED-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000001207138 206366796 /nfs/dbraw/zinc/36/67/96/206366796.db2.gz DYSYGZJBZOXOSY-MDWZMJQESA-N 0 0 385.379 5.055 50 5 GKBARN O=c1c2ccc(Br)c3cccc(c4nc5cccc6cccc(c65)n14)c32 ZINC000001231123 206369652 /nfs/dbraw/zinc/36/96/52/206369652.db2.gz PPDMCNTYJPKQDP-UHFFFAOYSA-N 0 0 399.247 5.508 50 5 GKBARN Oc1ccc(Br)cc1-c1nc2c([nH]1)c1ccccc1c1ccccc21 ZINC000001248239 206370364 /nfs/dbraw/zinc/37/03/64/206370364.db2.gz ZKSNVBBOSUYWCZ-UHFFFAOYSA-N 0 0 389.252 6.004 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccncc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002029997 206396104 /nfs/dbraw/zinc/39/61/04/206396104.db2.gz RFCQUSFYQDTPBT-UHFFFAOYSA-N 0 0 377.403 6.025 50 5 GKBARN Cc1cccc(Nc2c3ccccc3c(Nc3cccc(C)c3)c3ccccc32)c1 ZINC000002026569 206396419 /nfs/dbraw/zinc/39/64/19/206396419.db2.gz VQPFKRHTMTZOIW-UHFFFAOYSA-N 0 0 388.514 8.097 50 5 GKBARN COc1ccc2c(c1)c1nc3cc4ccccc4cc3nc1n2Cc1ccccc1 ZINC000002066751 206396778 /nfs/dbraw/zinc/39/67/78/206396778.db2.gz UPJKWNNCLGGISQ-UHFFFAOYSA-N 0 0 389.458 5.948 50 5 GKBARN COc1ccc(-c2coc3c2cc2c4ccc(OC)cc4c(=O)oc2c3C)cc1 ZINC000002114981 206399797 /nfs/dbraw/zinc/39/97/97/206399797.db2.gz QQCAHHRQHSZCIX-UHFFFAOYSA-N 0 0 386.403 5.685 50 5 biogenic GKBARN CCCOc1cc2nc3c4ccccc4n(CCC)c3nc2cc1OCCC ZINC000002276956 206406047 /nfs/dbraw/zinc/40/60/47/206406047.db2.gz MZDVTGFZRQFTPT-UHFFFAOYSA-N 0 0 377.488 5.725 50 5 GKBARN O=C(c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCCCCC1 ZINC000003020038 206453919 /nfs/dbraw/zinc/45/39/19/206453919.db2.gz HYAJDIGVLSIVAT-UHFFFAOYSA-N 0 0 390.892 5.416 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1cccc2ccccc21 ZINC000004181166 206505865 /nfs/dbraw/zinc/50/58/65/206505865.db2.gz ZWJGTPSFFXNQNG-UHFFFAOYSA-N 0 0 376.334 5.258 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccccc2F)n1 ZINC000004309922 206513798 /nfs/dbraw/zinc/51/37/98/206513798.db2.gz SOZJVCRDOYUWCK-UHFFFAOYSA-N 0 0 388.423 5.952 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000004551054 206529020 /nfs/dbraw/zinc/52/90/20/206529020.db2.gz UCGOAWUYMSMQRO-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1c(Cl)cccc1Cl ZINC000004694897 206544829 /nfs/dbraw/zinc/54/48/29/206544829.db2.gz ZSXBNQIWRZWYGS-UHFFFAOYSA-N 0 0 385.272 5.082 50 5 GKBARN COc1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000004889026 206566365 /nfs/dbraw/zinc/56/63/65/206566365.db2.gz CFDBMEYFVCFNMG-DHZHZOJOSA-N 0 0 388.379 5.155 50 5 GKBARN C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004719690 206547052 /nfs/dbraw/zinc/54/70/52/206547052.db2.gz MCCDZVFPRDLZRM-IERDGZPVSA-N 0 0 387.439 5.187 50 5 GKBARN Cc1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)c(C)n1CC(F)(F)F ZINC000071971764 211065633 /nfs/dbraw/zinc/06/56/33/211065633.db2.gz LIPUYJDZTWTBFT-UHFFFAOYSA-N 0 0 381.379 5.366 50 5 GKBARN O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000032579229 210577173 /nfs/dbraw/zinc/57/71/73/210577173.db2.gz LWJOBDRSLHPYPD-UHFFFAOYSA-N 0 0 383.791 5.685 50 5 GKBARN CC(C)(CNc1ccc([N+](=O)[O-])cn1)SCc1cccc(C(F)(F)F)c1 ZINC000020389638 207190580 /nfs/dbraw/zinc/19/05/80/207190580.db2.gz OCFQHUSBDFQEEZ-UHFFFAOYSA-N 0 0 385.411 5.133 50 5 GKBARN Cc1ccc(N(Cc2ccco2)C(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024636979 207293878 /nfs/dbraw/zinc/29/38/78/207293878.db2.gz BSNOJMUFJBHFKM-INIZCTEOSA-N 0 0 396.468 5.210 50 5 GKBARN O=C(Nc1ccccc1OCCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000040090791 207337928 /nfs/dbraw/zinc/33/79/28/207337928.db2.gz GALKYTUBSUXHCJ-UHFFFAOYSA-N 0 0 396.830 5.122 50 5 GKBARN CC(C)CNC(=O)C[C@@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000096276282 208299456 /nfs/dbraw/zinc/29/94/56/208299456.db2.gz QYMDTXOMWKCQEO-QGZVFWFLSA-N 0 0 399.878 5.024 50 5 GKBARN Cc1cccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000100563499 208377138 /nfs/dbraw/zinc/37/71/38/208377138.db2.gz PWYMTFMBYYPEEY-HSZRJFAPSA-N 0 0 399.450 5.296 50 5 GKBARN CC(=O)c1ccccc1OCc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002871350 208507430 /nfs/dbraw/zinc/50/74/30/208507430.db2.gz POTIHHLHRLXQGG-UHFFFAOYSA-N 0 0 379.437 5.528 50 5 GKBARN O=C(c1c(-c2ccccc2)cc2ccccn21)c1cc([N+](=O)[O-])ccc1Cl ZINC000003185777 208509287 /nfs/dbraw/zinc/50/92/87/208509287.db2.gz HUUCWJQTEVBGHB-UHFFFAOYSA-N 0 0 376.799 5.399 50 5 GKBARN CCCCNc1nc2c3sc4nc(C(F)F)cc(C)c4c3[nH]c(=O)c2s1 ZINC000020607320 210352256 /nfs/dbraw/zinc/35/22/56/210352256.db2.gz SINZIEYYAUHQIT-UHFFFAOYSA-N 0 0 394.472 5.206 50 5 GKBARN COc1ccccc1NC(=O)c1ccc(N[C@H](C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000005051466 208665578 /nfs/dbraw/zinc/66/55/78/208665578.db2.gz UJORUEIAHYCNRJ-OAHLLOKOSA-N 0 0 391.427 5.029 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c3c(n2)-c2ccccc2CC3)cc1 ZINC000002267072 220515945 /nfs/dbraw/zinc/51/59/45/220515945.db2.gz WODWURSIAKPFDU-UHFFFAOYSA-N 0 0 378.431 6.089 50 5 GKBARN Cc1ccccc1-c1nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3C)ccc2o1 ZINC000002979831 220591882 /nfs/dbraw/zinc/59/18/82/220591882.db2.gz IYJHZJWWHUGBQH-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003021517 220598275 /nfs/dbraw/zinc/59/82/75/220598275.db2.gz CNQYFIFVZWYSTQ-SUMWQHHRSA-N 0 0 388.464 5.194 50 5 GKBARN COc1cc2c(cc1NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1)oc1ccccc12 ZINC000003642293 220663640 /nfs/dbraw/zinc/66/36/40/220663640.db2.gz NSYIOKPBGNQFKC-ZDUSSCGKSA-N 0 0 390.395 5.245 50 5 GKBARN Cc1c(C(=O)Nc2ccc(CSc3ccccc3)cc2)cccc1[N+](=O)[O-] ZINC000004819568 220768602 /nfs/dbraw/zinc/76/86/02/220768602.db2.gz NTWCCTMJZLMNQV-UHFFFAOYSA-N 0 0 378.453 5.448 50 5 GKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4cc(F)ccc4c32)c1 ZINC000004970018 220801811 /nfs/dbraw/zinc/80/18/11/220801811.db2.gz QTNWKEDOEXGPLR-UHFFFAOYSA-N 0 0 384.370 5.288 50 5 GKBARN C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005119230 220831539 /nfs/dbraw/zinc/83/15/39/220831539.db2.gz BEPDOJBMBAIUTJ-AWEZNQCLSA-N 0 0 395.846 5.354 50 5 GKBARN O=C(Nc1ccc(-c2ccccc2)cc1)c1cccc2nc3ccccc3nc21 ZINC000005445518 220870730 /nfs/dbraw/zinc/87/07/30/220870730.db2.gz FTFGKYJHKXNAFH-UHFFFAOYSA-N 0 0 375.431 5.702 50 5 GKBARN COc1ccc(-c2c3cnn(C(C)C)c3nc3c4ccc(O)c(C)c4oc32)cc1 ZINC000096116136 209009946 /nfs/dbraw/zinc/00/99/46/209009946.db2.gz FNXJBOIUEHUDMR-UHFFFAOYSA-N 0 0 387.439 5.601 50 5 biogenic GKBARN Brc1ccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)cc1 ZINC000006393314 220932905 /nfs/dbraw/zinc/93/29/05/220932905.db2.gz BLHYLCJYPQUFBY-UHFFFAOYSA-N 0 0 375.229 5.089 50 5 GKBARN CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000252002544 209032267 /nfs/dbraw/zinc/03/22/67/209032267.db2.gz NABSXXZLUXIJIQ-VWNXMTODSA-N 0 0 399.450 5.400 50 5 GKBARN CN(Cc1ccc(Cl)s1)c1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008428460 221041186 /nfs/dbraw/zinc/04/11/86/221041186.db2.gz OVIWNRQXURYYHM-UHFFFAOYSA-N 0 0 386.860 5.177 50 5 GKBARN CCCC(=O)Oc1cn([C@@H](C)CC)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013237764 221264081 /nfs/dbraw/zinc/26/40/81/221264081.db2.gz SUABSPZLDWQTLQ-HNNXBMFYSA-N 0 0 392.503 5.466 50 5 GKBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2cccc(Cl)c2)[nH]1 ZINC000016491748 221362978 /nfs/dbraw/zinc/36/29/78/221362978.db2.gz LCIWILYUWSGYFT-UHFFFAOYSA-N 0 0 375.815 5.972 50 5 GKBARN Clc1cccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc32)c1 ZINC000017207086 221380915 /nfs/dbraw/zinc/38/09/15/221380915.db2.gz KWFTYVAQXRTQDR-UHFFFAOYSA-N 0 0 393.877 6.752 50 5 GKBARN CCOc1ccccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000016996309 221375086 /nfs/dbraw/zinc/37/50/86/221375086.db2.gz IVWJQJWJBGLXCY-UHFFFAOYSA-N 0 0 386.411 5.347 50 5 GKBARN O=C(CC12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1ccccc1[N+](=O)[O-] ZINC000018165893 221389000 /nfs/dbraw/zinc/38/90/00/221389000.db2.gz DECMOPXKWHOEAY-ISVJADKWSA-N 0 0 390.483 5.462 50 5 GKBARN CCCCc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1 ZINC000002116918 136193346 /nfs/dbraw/zinc/19/33/46/136193346.db2.gz ZEOCLGSMEVDSNP-UHFFFAOYSA-N 0 0 399.490 5.954 50 5 biogenic GKBARN Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000032999432 221762442 /nfs/dbraw/zinc/76/24/42/221762442.db2.gz LEPGPTYQQWYBAY-UHFFFAOYSA-N 0 0 387.867 5.045 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCCC[C@@H]1c1ccc(C)cc1 ZINC000064984831 222092598 /nfs/dbraw/zinc/09/25/98/222092598.db2.gz WBQYIZPYHMCBGC-LJQANCHMSA-N 0 0 383.448 5.061 50 5 GKBARN CN(Cc1csc2ccccc12)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000060686523 222059997 /nfs/dbraw/zinc/05/99/97/222059997.db2.gz QWJOZOUXSNERLJ-UHFFFAOYSA-N 0 0 382.466 5.296 50 5 GKBARN Cc1ccc(-c2c(=O)c3cc(C)c(C)cc3c3nc4ccccc4sc2-3)cc1C ZINC000067300073 222145269 /nfs/dbraw/zinc/14/52/69/222145269.db2.gz CIWDPTNYIZQDBS-UHFFFAOYSA-N 0 0 395.527 6.815 50 5 GKBARN C[C@@H](Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000072038861 222203931 /nfs/dbraw/zinc/20/39/31/222203931.db2.gz USWAKGPLCSECKG-CQSZACIVSA-N 0 0 395.846 5.674 50 5 GKBARN COc1ccccc1OCCn1c2nc3ccccc3nc2c2cc(C)cc(C)c21 ZINC000095946510 222362746 /nfs/dbraw/zinc/36/27/46/222362746.db2.gz GZAKWWPUMFFTKI-UHFFFAOYSA-N 0 0 397.478 5.442 50 5 GKBARN CC(C)n1ncc2c1nc1c3ccc(O)cc3oc1c2C1=Cc2ccccc2OC1 ZINC000096113958 222381206 /nfs/dbraw/zinc/38/12/06/222381206.db2.gz NRGXFASZBPQCNB-UHFFFAOYSA-N 0 0 397.434 5.550 50 5 biogenic GKBARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)c1 ZINC000245242053 524089884 /nfs/dbraw/zinc/08/98/84/524089884.db2.gz YAZFJXYMBOTMGI-UPVQGACJSA-N 0 0 399.450 5.454 50 5 GKBARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000000828367 524814873 /nfs/dbraw/zinc/81/48/73/524814873.db2.gz GJMWWFNRZSYREK-HRAATJIYSA-N 0 0 387.439 5.187 50 5 GKBARN O=C(OCc1nc2ccccc2c2ccccc12)c1cncn1-c1ccc(F)cc1 ZINC000006590436 526431435 /nfs/dbraw/zinc/43/14/35/526431435.db2.gz YYSPNVFOCJRBMQ-UHFFFAOYSA-N 0 0 397.409 5.070 50 5 GKBARN CC(C)(C)c1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002112576 535117170 /nfs/dbraw/zinc/11/71/70/535117170.db2.gz WYXLZVBBSQJQDD-UHFFFAOYSA-N 0 0 385.463 5.600 50 5 biogenic GKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)C12CC3CC(CC(C3)C1)C2 ZINC000006048841 570224235 /nfs/dbraw/zinc/22/42/35/570224235.db2.gz HMPOVDYPWMNUQW-UHFFFAOYSA-N 0 0 398.502 5.935 50 5 GKBARN O=c1c2cc3ccc4ccccc4c3[nH]c-2cn1-c1ccc(Br)cc1 ZINC000096319275 570229036 /nfs/dbraw/zinc/22/90/36/570229036.db2.gz FGXMVGJFDPBWKC-UHFFFAOYSA-N 0 0 389.252 5.311 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccc(Cl)cc2)c1 ZINC000044087602 570235119 /nfs/dbraw/zinc/23/51/19/570235119.db2.gz MRPDKORWIIWAOD-UHFFFAOYSA-N 0 0 399.903 6.136 50 5 GKBARN O=C(Nc1ccc2ccccc2c1)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000001508010 570252774 /nfs/dbraw/zinc/25/27/74/570252774.db2.gz KALUWYXTOYEVTD-IBGZPJMESA-N 0 0 379.441 5.028 50 5 GKBARN Cc1ccc(N(Cc2ccco2)C(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000024636971 570253174 /nfs/dbraw/zinc/25/31/74/570253174.db2.gz BSNOJMUFJBHFKM-MRXNPFEDSA-N 0 0 396.468 5.210 50 5 GKBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001510120 570253805 /nfs/dbraw/zinc/25/38/05/570253805.db2.gz CFTKJWSFAAQDPZ-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN Clc1cccc(Cl)c1Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000001906968 570270202 /nfs/dbraw/zinc/27/02/02/570270202.db2.gz FQCJRLTWPLPMAQ-UHFFFAOYSA-N 0 0 378.262 6.093 50 5 GKBARN O=C1CCC(=O)N1c1c2ccc3ccccc3c2cc2ccc3ccccc3c21 ZINC000045068516 570271719 /nfs/dbraw/zinc/27/17/19/570271719.db2.gz OFVWFWHSFBYCHY-UHFFFAOYSA-N 0 0 375.427 5.953 50 5 GKBARN CCCOc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002190429 570278114 /nfs/dbraw/zinc/27/81/14/570278114.db2.gz MEVGDXRHFBLXOX-UHFFFAOYSA-N 0 0 390.486 6.906 50 5 GKBARN Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccc(Cl)cc32)cc1C ZINC000006720482 570281430 /nfs/dbraw/zinc/28/14/30/570281430.db2.gz PNEYKQBQQTYHTC-UHFFFAOYSA-N 0 0 390.870 5.064 50 5 GKBARN CCCn1c2ccccc2nc1Sc1cc2c(ccc3ccccc32)oc1=O ZINC000015910197 570288467 /nfs/dbraw/zinc/28/84/67/570288467.db2.gz DAENFSGBYODBJV-UHFFFAOYSA-N 0 0 386.476 5.857 50 5 GKBARN O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccccc1SCc1ccsc1 ZINC000012928810 570298890 /nfs/dbraw/zinc/29/88/90/570298890.db2.gz WPEFBWXHMFTFSG-UHFFFAOYSA-N 0 0 384.482 5.130 50 5 GKBARN O=[N+]([O-])c1ccccc1SC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 ZINC000000721732 570304553 /nfs/dbraw/zinc/30/45/53/570304553.db2.gz BNGQYJOMYMFMEZ-FBMGVBCBSA-N 0 0 394.496 5.108 50 5 GKBARN O=C(c1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000000753367 570313224 /nfs/dbraw/zinc/31/32/24/570313224.db2.gz FCCROLLMSSDXSP-UHFFFAOYSA-N 0 0 380.831 5.091 50 5 GKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)Nc1ccccc1Cc1ccccc1 ZINC000043333993 570324175 /nfs/dbraw/zinc/32/41/75/570324175.db2.gz FXNRVFMLJWGVJC-KRWDZBQOSA-N 0 0 389.455 5.411 50 5 GKBARN Cc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000004858048 570348126 /nfs/dbraw/zinc/34/81/26/570348126.db2.gz NKMKHSWLAWBIHD-UHFFFAOYSA-N 0 0 398.422 5.074 50 5 GKBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000006254105 570350155 /nfs/dbraw/zinc/35/01/55/570350155.db2.gz WKLWDUHEFRRXNK-UHFFFAOYSA-N 0 0 392.198 5.117 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2cccs2)nc1-c1ccccc1 ZINC000004872947 570352043 /nfs/dbraw/zinc/35/20/43/570352043.db2.gz MWMYDSXXILQQCH-UHFFFAOYSA-N 0 0 377.425 5.389 50 5 GKBARN CCOc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004892901 570357085 /nfs/dbraw/zinc/35/70/85/570357085.db2.gz ZPYTWBZWKAKWRW-UHFFFAOYSA-N 0 0 390.439 5.154 50 5 GKBARN O=[N+]([O-])c1cccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)c1 ZINC000004898221 570359227 /nfs/dbraw/zinc/35/92/27/570359227.db2.gz HRKHCDOBIWTWJM-OAQYLSRUSA-N 0 0 377.831 5.604 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccccc2O)nc1-c1ccccc1 ZINC000006282491 570360316 /nfs/dbraw/zinc/36/03/16/570360316.db2.gz LKAMMPLHDFIZMV-UHFFFAOYSA-N 0 0 387.395 5.033 50 5 GKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccccc32)cc1 ZINC000004970026 570384970 /nfs/dbraw/zinc/38/49/70/570384970.db2.gz HFNDEHZTLWCQDH-UHFFFAOYSA-N 0 0 380.407 5.457 50 5 GKBARN Cc1ccc(NC(=O)CNc2ccccc2Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000006331652 570393825 /nfs/dbraw/zinc/39/38/25/570393825.db2.gz MVOSLZNORMYGIH-UHFFFAOYSA-N 0 0 393.468 5.105 50 5 GKBARN Cc1cccc2c3nc4ccccc4nc3n(CCCOc3ccccc3C)c21 ZINC000005017181 570396992 /nfs/dbraw/zinc/39/69/92/570396992.db2.gz PRRXHBVWWISWDT-UHFFFAOYSA-N 0 0 381.479 5.824 50 5 GKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1cc(-c2cccs2)nc2ccccc21 ZINC000005020761 570398128 /nfs/dbraw/zinc/39/81/28/570398128.db2.gz ULZXMPGGHCNSBC-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN CCc1cccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c1 ZINC000005021699 570398313 /nfs/dbraw/zinc/39/83/13/570398313.db2.gz MKAYYYANJNHCMJ-UHFFFAOYSA-N 0 0 395.422 5.106 50 5 GKBARN O=[N+]([O-])c1ccc(Nc2ccccc2)c(-n2cnc(-c3ccc(Cl)cc3)c2)c1 ZINC000005025512 570399528 /nfs/dbraw/zinc/39/95/28/570399528.db2.gz VTCIGFMCACNVCF-UHFFFAOYSA-N 0 0 390.830 5.845 50 5 GKBARN Cc1cccc2c1-c1sc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc1CO2 ZINC000005049586 570405611 /nfs/dbraw/zinc/40/56/11/570405611.db2.gz QBNQNHFJZGZMPO-UHFFFAOYSA-N 0 0 380.425 5.085 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 ZINC000033733920 570406577 /nfs/dbraw/zinc/40/65/77/570406577.db2.gz GTIXUBIMXNVBMP-UHFFFAOYSA-N 0 0 378.350 5.064 50 5 GKBARN Cc1[nH]c2ccccc2c1C(c1ccc([N+](=O)[O-])o1)c1c(C)[nH]c2ccccc21 ZINC000005059438 570406842 /nfs/dbraw/zinc/40/68/42/570406842.db2.gz SCVWBVFCWLNYDC-UHFFFAOYSA-N 0 0 385.423 5.947 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000005060427 570406903 /nfs/dbraw/zinc/40/69/03/570406903.db2.gz JXFBSXAENBKQKG-UHFFFAOYSA-N 0 0 379.372 5.040 50 5 GKBARN COc1ccc(OCc2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1 ZINC000005059547 570406958 /nfs/dbraw/zinc/40/69/58/570406958.db2.gz HDQIFHUJFGMSMW-UHFFFAOYSA-N 0 0 385.803 5.628 50 5 GKBARN Cc1csc(S[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000005101349 570417690 /nfs/dbraw/zinc/41/76/90/570417690.db2.gz DPYWPXMTCAJUDS-QGZVFWFLSA-N 0 0 399.497 5.140 50 5 GKBARN Cc1csc(S[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)n1 ZINC000005101352 570417692 /nfs/dbraw/zinc/41/76/92/570417692.db2.gz DPYWPXMTCAJUDS-KRWDZBQOSA-N 0 0 399.497 5.140 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000001752567 570421957 /nfs/dbraw/zinc/42/19/57/570421957.db2.gz ZEIFHMWWABYVPW-UHFFFAOYSA-N 0 0 375.469 5.103 50 5 GKBARN CC(C)c1ccc(-c2csc(NC(=S)Nc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000006514737 570463763 /nfs/dbraw/zinc/46/37/63/570463763.db2.gz DOILEEBNLAQEAS-UHFFFAOYSA-N 0 0 398.513 5.651 50 5 GKBARN Cn1c2ccccc2nc1-c1cnn(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006589182 570485767 /nfs/dbraw/zinc/48/57/67/570485767.db2.gz UTCNPYSBWWAOEL-UHFFFAOYSA-N 0 0 395.422 5.001 50 5 GKBARN O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])c3cnccc23)cc1)c1ccccc1 ZINC000006603070 570494163 /nfs/dbraw/zinc/49/41/63/570494163.db2.gz XLHLPEUMVYPWMG-UHFFFAOYSA-N 0 0 385.379 5.188 50 5 GKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(-c3ccccc3)nc21 ZINC000005205817 570507643 /nfs/dbraw/zinc/50/76/43/570507643.db2.gz QLFQKYMHJRUJJO-UHFFFAOYSA-N 0 0 390.446 5.038 50 5 GKBARN COc1cccc2cc(C(=O)c3ccc(Cl)cc3)c3nc4ccccc4n3c21 ZINC000006652188 570518906 /nfs/dbraw/zinc/51/89/06/570518906.db2.gz IJTJQOSWWWOGTI-UHFFFAOYSA-N 0 0 386.838 5.534 50 5 GKBARN Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000005235445 570523804 /nfs/dbraw/zinc/52/38/04/570523804.db2.gz MYVJPTQHKVKORN-LADGPHEKSA-N 0 0 399.450 5.454 50 5 GKBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])o2)c(-c2nc3ccccc3s2)c1C ZINC000005255664 570530324 /nfs/dbraw/zinc/53/03/24/570530324.db2.gz AERURFAFKATGDO-UHFFFAOYSA-N 0 0 399.453 5.395 50 5 GKBARN Cc1cc(C)cc(NC(=O)Cn2c3ccccc3c(=O)c3ccc(Cl)cc32)c1 ZINC000006720486 570549131 /nfs/dbraw/zinc/54/91/31/570549131.db2.gz IPUSKPFCXHMHDS-UHFFFAOYSA-N 0 0 390.870 5.064 50 5 GKBARN CC(=O)c1sc2nc3c4ccccc4nnc3c(-c3ccc(C)cc3)c2c1N ZINC000001106234 570561889 /nfs/dbraw/zinc/56/18/89/570561889.db2.gz XRSVSVNZQZWVQH-UHFFFAOYSA-N 0 0 384.464 5.153 50 5 GKBARN Brc1ccc(-c2cn3c4ccc5ccccc5c4sc3n2)cc1 ZINC000001782801 570585358 /nfs/dbraw/zinc/58/53/58/570585358.db2.gz NAGOHGHFGNVGJC-UHFFFAOYSA-N 0 0 379.282 6.132 50 5 GKBARN Cc1cc(C)c2nc(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc(C)c2c1 ZINC000006788650 570594281 /nfs/dbraw/zinc/59/42/81/570594281.db2.gz WPTHMDZTISQVLG-OAHLLOKOSA-N 0 0 395.484 5.188 50 5 GKBARN O=c1ccc2c3occ(-c4ccccc4)c3c3occ(-c4ccccc4)c3c2o1 ZINC000006810543 570614512 /nfs/dbraw/zinc/61/45/12/570614512.db2.gz NXCATMYMYJEJSU-UHFFFAOYSA-N 0 0 378.383 6.619 50 5 GKBARN COc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1OC ZINC000005516468 570624066 /nfs/dbraw/zinc/62/40/66/570624066.db2.gz YWQKKVYUZVITAQ-UHFFFAOYSA-N 0 0 383.451 5.112 50 5 GKBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2Cl)cc1 ZINC000036347400 570628740 /nfs/dbraw/zinc/62/87/40/570628740.db2.gz JSBBXCZYHPOXOA-OAQYLSRUSA-N 0 0 381.863 5.045 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2ccc(F)cc2)c1 ZINC000036348426 570629714 /nfs/dbraw/zinc/62/97/14/570629714.db2.gz OEVBLEUIDKUZIH-NRFANRHFSA-N 0 0 399.853 5.184 50 5 GKBARN O=[N+]([O-])c1ccccc1[C@H]1c2cccn2CCCN1Cc1ccc(F)c(Cl)c1 ZINC000036347814 570630453 /nfs/dbraw/zinc/63/04/53/570630453.db2.gz JSOWXBQQESRFLH-NRFANRHFSA-N 0 0 399.853 5.184 50 5 GKBARN CC(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2F)n1 ZINC000036349529 570631435 /nfs/dbraw/zinc/63/14/35/570631435.db2.gz MYNPWZARMRUBCK-UHFFFAOYSA-N 0 0 399.447 5.732 50 5 GKBARN c1ccc(-c2ccc3c(c2)sc2c4ccc(-c5ccccc5)cc4sc32)cc1 ZINC000044069551 570631580 /nfs/dbraw/zinc/63/15/80/570631580.db2.gz SBJIDUSVEICMRY-UHFFFAOYSA-N 0 0 392.548 8.603 50 5 GKBARN CC(C)c1cc(Oc2ccccc2F)nc(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000036349776 570632727 /nfs/dbraw/zinc/63/27/27/570632727.db2.gz ZALIGJGCWGTNRV-UHFFFAOYSA-N 0 0 399.447 5.732 50 5 GKBARN CCc1cccc2c([C@H](CC(=O)N[C@H](C)CC)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006834264 570637032 /nfs/dbraw/zinc/63/70/32/570637032.db2.gz SUDPLVPSNYASOJ-FOIQADDNSA-N 0 0 393.487 5.075 50 5 GKBARN CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CC)c3cccc([N+](=O)[O-])c3)c[nH]c21 ZINC000006834263 570637114 /nfs/dbraw/zinc/63/71/14/570637114.db2.gz SUDPLVPSNYASOJ-QRWLVFNGSA-N 0 0 393.487 5.075 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004602908 570648055 /nfs/dbraw/zinc/64/80/55/570648055.db2.gz JQAVQCXESUWQAL-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN CC(C)(C)c1ccc(OCCOC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)c1 ZINC000004603708 570660940 /nfs/dbraw/zinc/66/09/40/570660940.db2.gz NKBOHQIDOWPHPW-UHFFFAOYSA-N 0 0 399.487 5.426 50 5 GKBARN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c(-c4ccc([N+](=O)[O-])cc4)cn1c32 ZINC000004608299 570662528 /nfs/dbraw/zinc/66/25/28/570662528.db2.gz WOOQHZSUQVAJTG-AREMUKBSSA-N 0 0 396.490 6.661 50 5 GKBARN CC(C)(C)[P@](=Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)N1CCCCC1 ZINC000005496504 570663597 /nfs/dbraw/zinc/66/35/97/570663597.db2.gz CJPASZOGGUONEI-MHZLTWQESA-N 0 0 385.448 5.952 50 5 GKBARN CC(C)(C)[P@@](=Nc1cccc([N+](=O)[O-])c1)(c1ccccc1)N1CCCCC1 ZINC000005496431 570663668 /nfs/dbraw/zinc/66/36/68/570663668.db2.gz CJPASZOGGUONEI-HHHXNRCGSA-N 0 0 385.448 5.952 50 5 GKBARN Cc1c(NCc2ccccc2)c([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 ZINC000004619139 570666957 /nfs/dbraw/zinc/66/69/57/570666957.db2.gz RKEIGNMRDVHCCH-UHFFFAOYSA-N 0 0 392.415 5.036 50 5 GKBARN CC(C)(C)c1cc(Nc2ccc(Cl)cc2[N+](=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000004614851 570670909 /nfs/dbraw/zinc/67/09/09/570670909.db2.gz GEUFKLPODNCRLW-UHFFFAOYSA-N 0 0 376.884 6.292 50 5 GKBARN CC(C)(C)c1cc(Nc2ccc(Cl)cc2[N+](=O)[O-])cc(C(C)(C)C)c1O ZINC000004614849 570671195 /nfs/dbraw/zinc/67/11/95/570671195.db2.gz LWEUZYIZOMJKDI-UHFFFAOYSA-N 0 0 376.884 6.292 50 5 GKBARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])s3)n2)cc1 ZINC000000946517 570734721 /nfs/dbraw/zinc/73/47/21/570734721.db2.gz JLJMFVXOPAITKK-UHFFFAOYSA-N 0 0 387.486 5.330 50 5 GKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(NC(C)=O)cc1 ZINC000000952238 570737543 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GKBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(-c2cccs2)nc2ccccc21 ZINC000001132093 570756419 /nfs/dbraw/zinc/75/64/19/570756419.db2.gz HFAQPXNXAJZEAH-UHFFFAOYSA-N 0 0 390.420 5.229 50 5 GKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000001154049 570757426 /nfs/dbraw/zinc/75/74/26/570757426.db2.gz ICFIQNCSNBENIH-UHFFFAOYSA-N 0 0 384.391 5.167 50 5 GKBARN CCc1cc(=O)oc2c(C)c(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000001155293 570757718 /nfs/dbraw/zinc/75/77/18/570757718.db2.gz LKHMTFBSIYBWPY-UHFFFAOYSA-N 0 0 393.317 5.383 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cs/c(=N\C3CCCCC3)n2C2CCCCC2)c1 ZINC000100930070 570781104 /nfs/dbraw/zinc/78/11/04/570781104.db2.gz MQAAVNGOXIHFHS-DQRAZIAOSA-N 0 0 385.533 5.863 50 5 GKBARN Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)nc2c1 ZINC000001172784 570787458 /nfs/dbraw/zinc/78/74/58/570787458.db2.gz XGIPXSYFMBWVCK-WUXMJOGZSA-N 0 0 399.406 5.363 50 5 GKBARN Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000001180700 570790903 /nfs/dbraw/zinc/79/09/03/570790903.db2.gz QNVAEBCXLFQHHV-FQEVSTJZSA-N 0 0 378.453 5.375 50 5 aggregator GKBARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc([N+](=O)[O-])c1 ZINC000001194430 570792451 /nfs/dbraw/zinc/79/24/51/570792451.db2.gz CSAKNYVJHABGCT-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN CC(C)(C)c1ccc(/C=C\C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000005825357 570795101 /nfs/dbraw/zinc/79/51/01/570795101.db2.gz BPMQVGMUILRSQF-WDZFZDKYSA-N 0 0 381.457 5.154 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001215460 570795593 /nfs/dbraw/zinc/79/55/93/570795593.db2.gz HXRYVIDPBWJQHS-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c(C)c1 ZINC000004659475 570809616 /nfs/dbraw/zinc/80/96/16/570809616.db2.gz RGWOADLEKFPEAD-ACCUITESSA-N 0 0 397.434 5.081 50 5 GKBARN O=[N+]([O-])c1ncccc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000005688421 570809951 /nfs/dbraw/zinc/80/99/51/570809951.db2.gz LKKXGAIMKQVMGD-UHFFFAOYSA-N 0 0 384.804 5.107 50 5 GKBARN CCc1ccccc1NC(=O)c1ccc(N(C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004668185 570814406 /nfs/dbraw/zinc/81/44/06/570814406.db2.gz CSIGPXNUQUKBRW-UHFFFAOYSA-N 0 0 389.455 5.046 50 5 GKBARN C[C@@H](NC(=O)N(C)[C@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032795005 570815363 /nfs/dbraw/zinc/81/53/63/570815363.db2.gz YDVFPUDLTBIWAD-CHWSQXEVSA-N 0 0 395.381 5.077 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Sc1ccccn1)c1ccccc1 ZINC000011225498 570826777 /nfs/dbraw/zinc/82/67/77/570826777.db2.gz LUPIWHJTSDGOFY-GOSISDBHSA-N 0 0 399.859 5.115 50 5 GKBARN CCCOc1ccccc1-c1cc(-c2cccnc2)c2c(ccc3ccccc32)n1 ZINC000004689913 570835224 /nfs/dbraw/zinc/83/52/24/570835224.db2.gz ZVKOGOKKAXPKBO-UHFFFAOYSA-N 0 0 390.486 6.906 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706913 570842813 /nfs/dbraw/zinc/84/28/13/570842813.db2.gz CNHYQBQHXNPDBC-UHFFFAOYSA-N 0 0 387.867 5.189 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)o2)c1 ZINC000012547143 570848434 /nfs/dbraw/zinc/84/84/34/570848434.db2.gz IAGUZBDZVZRODM-UHFFFAOYSA-N 0 0 381.391 6.065 50 5 GKBARN Cc1ccc(NC(=O)CCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl ZINC000004542649 570854161 /nfs/dbraw/zinc/85/41/61/570854161.db2.gz OKRJKVWUHLRJLS-UHFFFAOYSA-N 0 0 384.819 5.388 50 5 GKBARN O=C(NCc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004703686 570854584 /nfs/dbraw/zinc/85/45/84/570854584.db2.gz ZONOOEKBINQDEY-XSFVSMFZSA-N 0 0 392.842 5.105 50 5 GKBARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004545552 570856852 /nfs/dbraw/zinc/85/68/52/570856852.db2.gz NGGISFSTYUQVBW-FZKQIMNGSA-N 0 0 399.516 5.626 50 5 GKBARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001230813 570898677 /nfs/dbraw/zinc/89/86/77/570898677.db2.gz XFQTZSAPNHRFKK-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN CC(C)C[C@@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000014808943 570902237 /nfs/dbraw/zinc/90/22/37/570902237.db2.gz NGGGAMZZXFGJOQ-JOCHJYFZSA-N 0 0 398.506 5.058 50 5 GKBARN COc1cc(OC)c(-c2nc3c([nH]2)c2ccccc2c2ccccc32)c(OC)c1 ZINC000005728246 570905105 /nfs/dbraw/zinc/90/51/05/570905105.db2.gz UJUVRBVOMJRDPX-UHFFFAOYSA-N 0 0 384.435 5.562 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000004583071 570910673 /nfs/dbraw/zinc/91/06/73/570910673.db2.gz PIEBGDNJYIZIQU-UHFFFAOYSA-N 0 0 395.846 5.483 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cccc(Cl)c1Cl ZINC000017078244 570939426 /nfs/dbraw/zinc/93/94/26/570939426.db2.gz DBDIZOHCXIEWKE-UHFFFAOYSA-N 0 0 383.234 5.625 50 5 GKBARN Brc1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1 ZINC000006996023 570939713 /nfs/dbraw/zinc/93/97/13/570939713.db2.gz ULIBXNPRDWVUHB-UHFFFAOYSA-N 0 0 375.229 5.089 50 5 GKBARN O=[N+]([O-])c1ccc(Sc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])c1 ZINC000002144782 570967182 /nfs/dbraw/zinc/96/71/82/570967182.db2.gz OPBXIRRYSHKKTQ-UHFFFAOYSA-N 0 0 379.608 5.614 50 5 GKBARN O=C(OCc1ccc(Oc2ccccc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000001392286 570978666 /nfs/dbraw/zinc/97/86/66/570978666.db2.gz RKLGYMAOLYIAGZ-UHFFFAOYSA-N 0 0 383.787 5.398 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Cl)c(Cl)c1 ZINC000002162680 570981876 /nfs/dbraw/zinc/98/18/76/570981876.db2.gz ATYAOIMWJXUQGI-UHFFFAOYSA-N 0 0 397.092 5.621 50 5 GKBARN O=[N+]([O-])c1ccc(NCCOc2cccc3ccccc32)c(C(F)(F)F)c1 ZINC000004182272 570983199 /nfs/dbraw/zinc/98/31/99/570983199.db2.gz LKWKRZWADKMBQU-UHFFFAOYSA-N 0 0 376.334 5.258 50 5 GKBARN O=[N+]([O-])c1ccc(Sc2ccc(Br)cc2)c(Br)c1 ZINC000001406388 570983705 /nfs/dbraw/zinc/98/37/05/570983705.db2.gz GIJUGFMZGDJPHE-UHFFFAOYSA-N 0 0 389.068 5.271 50 5 GKBARN Cc1cc(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c(C)cc1Br ZINC000004793260 570991721 /nfs/dbraw/zinc/99/17/21/570991721.db2.gz FEZTUDORCOULBY-UHFFFAOYSA-N 0 0 399.628 5.238 50 5 GKBARN CC(C)c1ccc(Nc2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000004797891 570992058 /nfs/dbraw/zinc/99/20/58/570992058.db2.gz MJOOLICAGSIXPH-UHFFFAOYSA-N 0 0 384.827 5.044 50 5 GKBARN Cc1cc2c(c(C)c1[N+](=O)[O-])C[C@@](C)(c1cc(C)c([N+](=O)[O-])c(C)c1)C2(C)C ZINC000002187277 570993663 /nfs/dbraw/zinc/99/36/63/570993663.db2.gz HGLAXHLPKCGCIB-QFIPXVFZSA-N 0 0 382.460 5.528 50 5 GKBARN CSc1ccc(C(=O)Oc2ccc3oc4ccccc4c3c2)cc1[N+](=O)[O-] ZINC000013135241 210054199 /nfs/dbraw/zinc/05/41/99/210054199.db2.gz OQDTVSUGXKLZDM-UHFFFAOYSA-N 0 0 379.393 5.435 50 5 GKBARN COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1Cc1ccccc1 ZINC000012759437 210003214 /nfs/dbraw/zinc/00/32/14/210003214.db2.gz QJQICLMRNGRGTD-UHFFFAOYSA-N 0 0 396.830 5.100 50 5 GKBARN O=c1c([N+](=O)[O-])c(Nc2ccc(Cl)cc2)c2ccccc2n1-c1ccccc1 ZINC000005775981 209615214 /nfs/dbraw/zinc/61/52/14/209615214.db2.gz OVMBMBHDUKTVRP-UHFFFAOYSA-N 0 0 391.814 5.296 50 5 GKBARN Cc1ccc(C(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)c2)cc1C ZINC000004695680 209512447 /nfs/dbraw/zinc/51/24/47/209512447.db2.gz SSTZHQIWUPIYSO-UHFFFAOYSA-N 0 0 388.423 5.003 50 5 GKBARN O=[N+]([O-])c1ccc(C2=C(c3nc4ccccc4[nH]3)Sc3ccccc3N2)cc1 ZINC000004149292 209467439 /nfs/dbraw/zinc/46/74/39/209467439.db2.gz BLNOCPNRCZVWAG-UHFFFAOYSA-N 0 0 386.436 5.515 50 5 GKBARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004005833 209458698 /nfs/dbraw/zinc/45/86/98/209458698.db2.gz OVGVMHGZEZDVJK-JOCHJYFZSA-N 0 0 386.451 5.156 50 5 GKBARN O=[N+]([O-])c1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1 ZINC000002846418 209392091 /nfs/dbraw/zinc/39/20/91/209392091.db2.gz KKAVEPSLWOEMFN-UHFFFAOYSA-N 0 0 386.810 5.578 50 5 GKBARN O=[N+]([O-])c1ccc2nc3c(sc4nc5ccccc5n43)c(-c3ccccc3)c2c1 ZINC000002776373 209383844 /nfs/dbraw/zinc/38/38/44/209383844.db2.gz KVCWITLGQLXOGL-UHFFFAOYSA-N 0 0 396.431 5.826 50 5 GKBARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002748313 209381054 /nfs/dbraw/zinc/38/10/54/209381054.db2.gz YRYCZTRCCXLMPU-UHFFFAOYSA-N 0 0 394.858 5.200 50 5 GKBARN COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(C)cc1 ZINC000002652596 209375231 /nfs/dbraw/zinc/37/52/31/209375231.db2.gz BAZNEHIDFQYMFV-UHFFFAOYSA-N 0 0 394.452 5.315 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccccc2C)nc1-c1ccccc1 ZINC000002366186 209360112 /nfs/dbraw/zinc/36/01/12/209360112.db2.gz QQCQKCOLVVWYRO-UHFFFAOYSA-N 0 0 385.423 5.636 50 5 GKBARN O=C1c2ccccc2-c2c1c(-c1cccc(Cl)c1)nc1ccc3ccccc3c21 ZINC000002317156 209356080 /nfs/dbraw/zinc/35/60/80/209356080.db2.gz OHWJYEPAEABNAS-UHFFFAOYSA-N 0 0 391.857 6.920 50 5 GKBARN c1ccc(-c2cc(-c3ccc4ccccc4n3)nc3ccc4ccccc4c32)cc1 ZINC000002286010 209354739 /nfs/dbraw/zinc/35/47/39/209354739.db2.gz NKQKTTDGIMCRDW-UHFFFAOYSA-N 0 0 382.466 7.270 50 5 GKBARN COc1ccc(-c2c/c(=N\c3cccc([N+](=O)[O-])c3)c3cc(C)ccc3o2)cc1 ZINC000001912123 209342406 /nfs/dbraw/zinc/34/24/06/209342406.db2.gz HIPVGKZKHZMLDE-DARPEHSRSA-N 0 0 386.407 5.557 50 5 GKBARN NC(=O)c1cc2c(ccc3ccccc32)o/c1=N\c1ccc(Cl)cc1Cl ZINC000001511167 209332085 /nfs/dbraw/zinc/33/20/85/209332085.db2.gz LPSFJWAAPXAWNR-GFMRDNFCSA-N 0 0 383.234 5.224 50 5 GKBARN Cc1cccc(-c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c2)c1 ZINC000001313260 209319395 /nfs/dbraw/zinc/31/93/95/209319395.db2.gz GYACGOYDUSSHLW-UHFFFAOYSA-N 0 0 392.367 5.006 50 5 GKBARN Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000001217281 209315890 /nfs/dbraw/zinc/31/58/90/209315890.db2.gz QQPDVXAEROYOJZ-UHFFFAOYSA-N 0 0 392.255 5.193 50 5 GKBARN O=C(Nc1nc2ccccc2s1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001208962 209314315 /nfs/dbraw/zinc/31/43/15/209314315.db2.gz WGKUEYWLVSBZOZ-UHFFFAOYSA-N 0 0 391.408 5.249 50 5 GKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000001186658 209311791 /nfs/dbraw/zinc/31/17/91/209311791.db2.gz NKVADGWIJBJNRF-UHFFFAOYSA-N 0 0 395.173 5.553 50 5 GKBARN CCc1cc(=O)oc2c(C)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 ZINC000001175580 209310435 /nfs/dbraw/zinc/31/04/35/209310435.db2.gz ZGIAXWHDFOQDEH-UHFFFAOYSA-N 0 0 393.317 5.383 50 5 GKBARN O=[N+]([O-])c1cccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)c1 ZINC000001145636 209306174 /nfs/dbraw/zinc/30/61/74/209306174.db2.gz YKIGIHHTRMIKDX-UHFFFAOYSA-N 0 0 377.469 5.115 50 5 GKBARN CCc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000001108326 209300960 /nfs/dbraw/zinc/30/09/60/209300960.db2.gz KBKBKJFKEWLYEX-UHFFFAOYSA-N 0 0 396.830 5.855 50 5 GKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000994367 209287451 /nfs/dbraw/zinc/28/74/51/209287451.db2.gz CBWADWFWIKRDPK-UHFFFAOYSA-N 0 0 392.198 5.117 50 5 GKBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2ccccc2c1 ZINC000000714697 209262290 /nfs/dbraw/zinc/26/22/90/209262290.db2.gz GMKRWTCIOFFVOP-HSZRJFAPSA-N 0 0 395.418 5.519 50 5 GKBARN CCc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 ZINC000002057221 212263581 /nfs/dbraw/zinc/26/35/81/212263581.db2.gz SLBJBTZAIJXAJB-UHFFFAOYSA-N 0 0 385.466 6.829 50 5 GKBARN CC(C)c1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000001799292 212256670 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O=C(/C=C/c1c(Cl)cccc1Cl)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000000957073 212199248 /nfs/dbraw/zinc/19/92/48/212199248.db2.gz BWKSSMCBIQIBAQ-FNORWQNLSA-N 0 0 394.239 5.163 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1nnc(Nc2cccc(F)c2)s1 ZINC000000856295 212189410 /nfs/dbraw/zinc/18/94/10/212189410.db2.gz JCWUVXMYNHLJIL-UHFFFAOYSA-N 0 0 389.411 5.347 50 5 GKBARN Cc1cccc(Oc2cc(NC(=O)c3cccc(Cl)c3)cc([N+](=O)[O-])c2)c1 ZINC000000710879 212177133 /nfs/dbraw/zinc/17/71/33/212177133.db2.gz ITPHJCPXCLOFFB-UHFFFAOYSA-N 0 0 382.803 5.601 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 ZINC000000712135 212176387 /nfs/dbraw/zinc/17/63/87/212176387.db2.gz MPZOPZABGRHFPN-UHFFFAOYSA-N 0 0 375.815 5.972 50 5 GKBARN Cc1cccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3ccccc3c2)c1 ZINC000000704461 212175095 /nfs/dbraw/zinc/17/50/95/212175095.db2.gz SBNUCLABDUTAGD-UHFFFAOYSA-N 0 0 382.419 6.035 50 5 GKBARN CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000670927 212172514 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CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(C(C)=O)cc1 ZINC000000953639 203868094 /nfs/dbraw/zinc/86/80/94/203868094.db2.gz AYZATCJAWITDBL-UHFFFAOYSA-N 0 0 384.435 5.511 50 5 GKBARN Cc1ccccc1Oc1cc([N+](=O)[O-])cc2c1C(=O)Nc1cc(Cl)ccc1O2 ZINC000001097640 203883668 /nfs/dbraw/zinc/88/36/68/203883668.db2.gz XTYHZMZALPGGMV-UHFFFAOYSA-N 0 0 396.786 5.707 50 5 GKBARN O=C(CSCc1ccccc1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001158836 203890886 /nfs/dbraw/zinc/89/08/86/203890886.db2.gz USJBIIUVAKUIEG-UHFFFAOYSA-N 0 0 378.453 5.134 50 5 GKBARN O=C(Nc1ccc(F)cc1)c1sccc1SCc1ccc([N+](=O)[O-])cc1 ZINC000001393181 203904768 /nfs/dbraw/zinc/90/47/68/203904768.db2.gz GOIMMLXYWQCATI-UHFFFAOYSA-N 0 0 388.445 5.340 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001219985 203898114 /nfs/dbraw/zinc/89/81/14/203898114.db2.gz KEZXHDXKUKBXKJ-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN CC(C)c1c2cccc(Cl)c2c(Cc2ccccc2)c2cccc(Cl)c21 ZINC000003106380 203986648 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Cc1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc32)cc1 ZINC000004739209 204071908 /nfs/dbraw/zinc/07/19/08/204071908.db2.gz VDNWJYRHRXDTGW-UHFFFAOYSA-N 0 0 392.506 6.001 50 5 GKBARN CCOc1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000004845061 204081754 /nfs/dbraw/zinc/08/17/54/204081754.db2.gz WXYMXMVMSZZUSH-UHFFFAOYSA-N 0 0 378.384 5.038 50 5 GKBARN O=[N+]([O-])c1cccc([C@@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 ZINC000004899006 204088364 /nfs/dbraw/zinc/08/83/64/204088364.db2.gz SYLCDKGPBDWDOE-BKNRZZEASA-N 0 0 399.450 5.989 50 5 GKBARN Cc1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004902242 204089081 /nfs/dbraw/zinc/08/90/81/204089081.db2.gz BLZSURNASLTGAY-HXUWFJFHSA-N 0 0 378.453 5.375 50 5 GKBARN Cc1c(NC2CCCCC2)c([N+](=O)[O-])cc([N+](=O)[O-])c1NC1CCCCC1 ZINC000004622304 204058273 /nfs/dbraw/zinc/05/82/73/204058273.db2.gz HBEHRDLITJZJSQ-UHFFFAOYSA-N 0 0 376.457 5.301 50 5 GKBARN Cc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)ccc1[N+](=O)[O-] ZINC000004680002 204063347 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50 5 GKBARN COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C/c1onc(C)c1[N+](=O)[O-] ZINC000006779955 204205128 /nfs/dbraw/zinc/20/51/28/204205128.db2.gz ANHRNGKBAXEJKN-HWKANZROSA-N 0 0 394.471 5.538 50 5 GKBARN O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000006227491 204171331 /nfs/dbraw/zinc/17/13/31/204171331.db2.gz KHDDGRFZOGJREM-OAQYLSRUSA-N 0 0 397.883 6.355 50 5 GKBARN O=c1cc(CSc2nnc(C3CC3)n2C2CC2)c2c(ccc3ccccc32)o1 ZINC000007903260 204253491 /nfs/dbraw/zinc/25/34/91/204253491.db2.gz SICVBZOOLIJSNE-UHFFFAOYSA-N 0 0 389.480 5.042 50 5 GKBARN COc1ccccc1-c1noc(-c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000008586842 204280111 /nfs/dbraw/zinc/28/01/11/204280111.db2.gz RYLOADYWJDSKOA-UHFFFAOYSA-N 0 0 394.431 5.065 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2)cc1 ZINC000008968928 204294325 /nfs/dbraw/zinc/29/43/25/204294325.db2.gz FKHSBRXTNBNCJS-WEVVVXLNSA-N 0 0 399.859 5.332 50 5 GKBARN COc1ccccc1NC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000008325213 204272484 /nfs/dbraw/zinc/27/24/84/204272484.db2.gz RNFZSQSKJSEYRV-UHFFFAOYSA-N 0 0 398.415 5.146 50 5 GKBARN Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)SCC(=O)N2 ZINC000009328106 204307806 /nfs/dbraw/zinc/30/78/06/204307806.db2.gz ZDAGDLKZZMJKBW-SFHVURJKSA-N 0 0 386.477 5.029 50 5 GKBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@@H]2c2cccc(Cl)c2)cc1 ZINC000036347519 205012142 /nfs/dbraw/zinc/01/21/42/205012142.db2.gz QZDCDKQQFNEVDV-NRFANRHFSA-N 0 0 381.863 5.045 50 5 GKBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2Cl)cc1 ZINC000036347401 205012167 /nfs/dbraw/zinc/01/21/67/205012167.db2.gz JSBBXCZYHPOXOA-NRFANRHFSA-N 0 0 381.863 5.045 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000036347635 205013191 /nfs/dbraw/zinc/01/31/91/205013191.db2.gz MUDJRCZDNQUKOY-NRFANRHFSA-N 0 0 399.853 5.184 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cs/c(=N\Cc3cccnc3)n2C2CCCCC2)cc1 ZINC000101137478 209137585 /nfs/dbraw/zinc/13/75/85/209137585.db2.gz PXPVZMLHXPVUCP-LNVKXUELSA-N 0 0 394.500 5.126 50 5 GKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2c1 ZINC000046086420 205104782 /nfs/dbraw/zinc/10/47/82/205104782.db2.gz JYBIKPWPJOQVQQ-UHFFFAOYSA-N 0 0 382.416 5.389 50 5 GKBARN CC(=O)c1ccccc1OC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000001122726 209116283 /nfs/dbraw/zinc/11/62/83/209116283.db2.gz CTIGCWFCNBANES-UHFFFAOYSA-N 0 0 393.420 5.168 50 5 GKBARN O=[N+]([O-])c1ccc(/C=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1 ZINC000003199921 205357628 /nfs/dbraw/zinc/35/76/28/205357628.db2.gz FJBFPXIMQZPMQK-RMKNXTFCSA-N 0 0 376.368 5.252 50 5 GKBARN O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccccc1[N+](=O)[O-] ZINC000011323190 205866081 /nfs/dbraw/zinc/86/60/81/205866081.db2.gz FLEVVTZDYWUXQU-UHFFFAOYSA-N 0 0 398.365 5.039 50 5 GKBARN O=C(Nc1ccc2c(c1)oc1ccccc1c2=O)c1ccc(Cl)cc1Cl ZINC000033543222 206098280 /nfs/dbraw/zinc/09/82/80/206098280.db2.gz KKLOATIPLRSFMB-UHFFFAOYSA-N 0 0 384.218 5.505 50 5 GKBARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])C1 ZINC000032980009 206098973 /nfs/dbraw/zinc/09/89/73/206098973.db2.gz XVHLEMCCBAHSCJ-MRXNPFEDSA-N 0 0 389.455 5.237 50 5 GKBARN C[C@@H](NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032795003 206092936 /nfs/dbraw/zinc/09/29/36/206092936.db2.gz YDVFPUDLTBIWAD-OLZOCXBDSA-N 0 0 395.381 5.077 50 5 GKBARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000251986165 206138850 /nfs/dbraw/zinc/13/88/50/206138850.db2.gz HLULPTFLWNOVDY-UPVQGACJSA-N 0 0 399.450 5.400 50 5 GKBARN Cc1ccc(C2=N[C@@H]3C=CC=C[C@@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004071786 211529710 /nfs/dbraw/zinc/52/97/10/211529710.db2.gz HXIHDRLMICWHIA-HJNYFJLDSA-N 0 0 376.481 5.434 50 5 GKBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1sc2ccccc2c1Cl ZINC000000654583 206313320 /nfs/dbraw/zinc/31/33/20/206313320.db2.gz RXWYTGOFYNOWLI-UHFFFAOYSA-N 0 0 389.845 5.325 50 5 GKBARN CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000000670925 206314851 /nfs/dbraw/zinc/31/48/51/206314851.db2.gz XFYKXVXXFZXCQS-CYBMUJFWSA-N 0 0 381.457 5.484 50 5 GKBARN O=c1oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c2c1CCC2 ZINC000000842822 206326344 /nfs/dbraw/zinc/32/63/44/206326344.db2.gz DZQIHFSTKNNJBT-UHFFFAOYSA-N 0 0 391.301 5.001 50 5 biogenic GKBARN CCc1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000000841526 206326579 /nfs/dbraw/zinc/32/65/79/206326579.db2.gz UFGGQQPRWUYSEF-UHFFFAOYSA-N 0 0 387.395 5.218 50 5 GKBARN CCCc1cc(=O)oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc12 ZINC000000941173 206336047 /nfs/dbraw/zinc/33/60/47/206336047.db2.gz IICXTNDJFBIDDH-UHFFFAOYSA-N 0 0 393.317 5.465 50 5 GKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000000946557 206336608 /nfs/dbraw/zinc/33/66/08/206336608.db2.gz KJEAZDXPDUASAN-NRFANRHFSA-N 0 0 386.451 5.263 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 ZINC000001043895 206345786 /nfs/dbraw/zinc/34/57/86/206345786.db2.gz METQHUQODPPTSW-OAQYLSRUSA-N 0 0 376.437 5.658 50 5 GKBARN COc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nc(-c3ccccc3)no2)cc1 ZINC000001047050 206345824 /nfs/dbraw/zinc/34/58/24/206345824.db2.gz PFIYVTKKTIYZAS-UHFFFAOYSA-N 0 0 389.367 5.113 50 5 GKBARN COc1cc(SCc2ccccc2)cc([N+](=O)[O-])c1C(=O)Nc1ccccc1 ZINC000001092768 206351963 /nfs/dbraw/zinc/35/19/63/206351963.db2.gz DMLQVLPONXPCOQ-UHFFFAOYSA-N 0 0 394.452 5.148 50 5 GKBARN CCn1c(SCc2cccc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001129316 206356189 /nfs/dbraw/zinc/35/61/89/206356189.db2.gz ITJUYFXZOATVKV-UHFFFAOYSA-N 0 0 390.468 5.319 50 5 GKBARN COc1ccc(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1 ZINC000001386990 206378043 /nfs/dbraw/zinc/37/80/43/206378043.db2.gz IKHYPSVVUGOSTA-UHFFFAOYSA-N 0 0 394.452 5.315 50 5 GKBARN O=C(Nc1ccc2ccccc2c1)N1CCS[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000001508014 206383939 /nfs/dbraw/zinc/38/39/39/206383939.db2.gz KALUWYXTOYEVTD-LJQANCHMSA-N 0 0 379.441 5.028 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2sc3ccccc3c2s1 ZINC000001138848 206358769 /nfs/dbraw/zinc/35/87/69/206358769.db2.gz SYRFNEIEDQGFJG-UHFFFAOYSA-N 0 0 384.438 5.285 50 5 GKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000001156289 206361000 /nfs/dbraw/zinc/36/10/00/206361000.db2.gz AEKWCVOTONCWCE-RUDMXATFSA-N 0 0 385.832 5.024 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H](Sc1ccccc1)c1ccccc1 ZINC000001179958 206363852 /nfs/dbraw/zinc/36/38/52/206363852.db2.gz LOMFSNXLUXYONN-LJQANCHMSA-N 0 0 382.416 5.206 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000001180234 206364226 /nfs/dbraw/zinc/36/42/26/206364226.db2.gz KIUTXOCQRXNQER-UHFFFAOYSA-N 0 0 395.173 5.553 50 5 GKBARN Cc1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000001218151 206368914 /nfs/dbraw/zinc/36/89/14/206368914.db2.gz XCLIDGWCUQZTLV-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 ZINC000001235165 206369187 /nfs/dbraw/zinc/36/91/87/206369187.db2.gz QUDKPBNUTFCSPQ-XLIONFOSSA-N 0 0 395.802 5.084 50 5 GKBARN Cc1c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000001218677 206369319 /nfs/dbraw/zinc/36/93/19/206369319.db2.gz SKNMTVVRZKLAPF-UHFFFAOYSA-N 0 0 392.255 5.193 50 5 GKBARN Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000001230695 206369686 /nfs/dbraw/zinc/36/96/86/206369686.db2.gz AOLQOMYLGJHFAT-UHFFFAOYSA-N 0 0 394.814 5.040 50 5 GKBARN Cc1ccc(OCCCC(=O)Oc2ccc3c(c2)oc(=O)c2ccccc32)cc1 ZINC000001773874 206391117 /nfs/dbraw/zinc/39/11/17/206391117.db2.gz QEIKVAXWVBEWCF-UHFFFAOYSA-N 0 0 388.419 5.019 50 5 GKBARN CC(C)(C)c1ccc(Oc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc32)cc1 ZINC000001749416 206391215 /nfs/dbraw/zinc/39/12/15/206391215.db2.gz HGBXECWZDSLIHO-UHFFFAOYSA-N 0 0 399.450 6.295 50 5 GKBARN O=C(/C=C/c1cccc(Cl)c1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000001927140 206394481 /nfs/dbraw/zinc/39/44/81/206394481.db2.gz SPGKZHSRURNHPP-RUDMXATFSA-N 0 0 385.832 5.024 50 5 GKBARN O=C1N[C@@H](c2c3ccccc3cc3ccccc32)Nc2sc3c(c21)CCCC3 ZINC000002052831 206395515 /nfs/dbraw/zinc/39/55/15/206395515.db2.gz XMFWEIXFDUVQTI-JOCHJYFZSA-N 0 0 384.504 5.787 50 5 GKBARN O=c1[nH]c2cc3ccccc3cc2nc1-c1ccccc1NCc1ccccc1 ZINC000002066245 206397799 /nfs/dbraw/zinc/39/77/99/206397799.db2.gz DRXGPYZZDHHCJA-UHFFFAOYSA-N 0 0 377.447 5.355 50 5 GKBARN Cc1cc(OCCCCOc2ccc(Cl)c3cccnc23)ccc1[N+](=O)[O-] ZINC000002862671 206442218 /nfs/dbraw/zinc/44/22/18/206442218.db2.gz ZFEQIJBIVGHHAA-UHFFFAOYSA-N 0 0 386.835 5.343 50 5 GKBARN O=[N+]([O-])c1cccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)c1 ZINC000002911301 206444508 /nfs/dbraw/zinc/44/45/08/206444508.db2.gz HODXHFVJMOQUMJ-UHFFFAOYSA-N 0 0 388.452 5.135 50 5 GKBARN C[C@@H]1C[C@H](C)CN(C(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000003017386 206453992 /nfs/dbraw/zinc/45/39/92/206453992.db2.gz XXSOTKDUAYXHBG-OKILXGFUSA-N 0 0 388.464 5.003 50 5 GKBARN O=C1[C@@H](c2ccccc2)c2c(c3ccccc3c3ccccc23)[C@@H]1c1ccccc1 ZINC000003051835 206456435 /nfs/dbraw/zinc/45/64/35/206456435.db2.gz AGWYEPSKPQEXTK-UIOOFZCWSA-N 0 0 384.478 6.840 50 5 GKBARN COP(=O)(OC)[C@H](Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003652982 206491700 /nfs/dbraw/zinc/49/17/00/206491700.db2.gz GEQZHJQDWUVLTL-SFHVURJKSA-N 0 0 378.365 5.315 50 5 GKBARN COc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1 ZINC000000946561 211500222 /nfs/dbraw/zinc/50/02/22/211500222.db2.gz USZQKWNLCPCDET-NRFANRHFSA-N 0 0 386.451 5.561 50 5 GKBARN CCc1ccccc1Nc1nc(C)c([N+](=O)[O-])c(Nc2ccccc2CC)n1 ZINC000004619069 206535337 /nfs/dbraw/zinc/53/53/37/206535337.db2.gz SSRUMWZKFMZUHJ-UHFFFAOYSA-N 0 0 377.448 5.305 50 5 GKBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1cccc2ccccc21 ZINC000004860483 206563047 /nfs/dbraw/zinc/56/30/47/206563047.db2.gz HWBGWKXRMJSSIA-UHFFFAOYSA-N 0 0 393.402 6.151 50 5 GKBARN COc1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3C)o2)c([N+](=O)[O-])c1 ZINC000005034584 206586566 /nfs/dbraw/zinc/58/65/66/206586566.db2.gz IEUYLZDDXHJZBN-UHFFFAOYSA-N 0 0 386.791 5.078 50 5 GKBARN O=C(Nc1cccc(Cl)c1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005102337 206591336 /nfs/dbraw/zinc/59/13/36/206591336.db2.gz YIIAHYJRUAIJDM-UHFFFAOYSA-N 0 0 381.819 5.113 50 5 GKBARN COc1cccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)c1 ZINC000005126003 206592478 /nfs/dbraw/zinc/59/24/78/206592478.db2.gz UBFXIUBTDKWFHQ-UHFFFAOYSA-N 0 0 385.423 5.636 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000100708545 211388545 /nfs/dbraw/zinc/38/85/45/211388545.db2.gz QUDKPBNUTFCSPQ-PXNSSMCTSA-N 0 0 395.802 5.084 50 5 GKBARN O=c1c(O)c(-c2ccc(NC3CCCC3)c(O)c2)oc2c3ccccc3ccc12 ZINC000100204963 211383699 /nfs/dbraw/zinc/38/36/99/211383699.db2.gz YVEKMFLWTKHYAO-UHFFFAOYSA-N 0 0 387.435 5.379 50 5 GKBARN Cc1ccc(NC2=C[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100100733 211382204 /nfs/dbraw/zinc/38/22/04/211382204.db2.gz MUTHYBKIMBAQIC-QHCPKHFHSA-N 0 0 399.450 5.296 50 5 GKBARN O=[N+]([O-])c1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000012194821 206868728 /nfs/dbraw/zinc/86/87/28/206868728.db2.gz RPGSPPHRUQBWCR-YLJYHZDGSA-N 0 0 395.802 5.084 50 5 GKBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000015723793 207056598 /nfs/dbraw/zinc/05/65/98/207056598.db2.gz WHFFAQATGUZLQU-ZRDIBKRKSA-N 0 0 399.406 5.363 50 5 GKBARN Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000017078293 207082308 /nfs/dbraw/zinc/08/23/08/207082308.db2.gz VXWLWICZTJLNBC-UHFFFAOYSA-N 0 0 383.451 5.790 50 5 GKBARN Cc1c(CSc2nn(-c3ccc(F)cc3)c(=S)s2)cccc1[N+](=O)[O-] ZINC000040127405 207344953 /nfs/dbraw/zinc/34/49/53/207344953.db2.gz LRNWVVBZFQXQKY-UHFFFAOYSA-N 0 0 393.490 5.311 50 5 GKBARN CC(C)c1oc([C@@H]2CCCN2c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000084622416 208093002 /nfs/dbraw/zinc/09/30/02/208093002.db2.gz HUDHXJBQODTXKT-IBGZPJMESA-N 0 0 377.444 5.715 50 5 GKBARN Cc1ccc(NC2=C[C@H](c3ccccc3[N+](=O)[O-])N(c3ccc(C)cc3)C2=O)cc1 ZINC000100573061 208376830 /nfs/dbraw/zinc/37/68/30/208376830.db2.gz MMGDNNRFKWEQSZ-HSZRJFAPSA-N 0 0 399.450 5.296 50 5 GKBARN O=[N+]([O-])c1ccc(NC=Cc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000100479628 208376506 /nfs/dbraw/zinc/37/65/06/208376506.db2.gz NRRTVDQCZPGVHE-FOCLMDBBSA-N 0 0 382.423 5.530 50 5 GKBARN CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000001808591 208498857 /nfs/dbraw/zinc/49/88/57/208498857.db2.gz RTTRUMARNYGJHF-UHFFFAOYSA-N 0 0 389.879 6.181 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)c(C)c1 ZINC000001518585 208499734 /nfs/dbraw/zinc/49/97/34/208499734.db2.gz DZGQJCMLQNFIRQ-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cn3cccc(OCc4ccc(Cl)cc4)c3n2)cc1 ZINC000020030701 210312667 /nfs/dbraw/zinc/31/26/67/210312667.db2.gz JPQPZYIBMNESJF-UHFFFAOYSA-N 0 0 379.803 5.142 50 5 GKBARN C[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019893555 210306894 /nfs/dbraw/zinc/30/68/94/210306894.db2.gz QXLBKOPHQFSSOR-GGAORHGYSA-N 0 0 385.423 5.011 50 5 GKBARN c1ccc2c(c1)nc1n2[C@H](c2c3ccccc3cc3ccccc32)Nc2ccccc2-1 ZINC000012523870 208770623 /nfs/dbraw/zinc/77/06/23/208770623.db2.gz OKTKCNZUUHMSQL-MUUNZHRXSA-N 0 0 397.481 6.982 50 5 GKBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000024991077 208872723 /nfs/dbraw/zinc/87/27/23/208872723.db2.gz AJSFCCBCHBQPBD-UHFFFAOYSA-N 0 0 398.846 5.099 50 5 GKBARN O=[N+]([O-])c1cccc(-c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)c1 ZINC000002585732 220543521 /nfs/dbraw/zinc/54/35/21/220543521.db2.gz VNWUMFXZGVDTSD-UHFFFAOYSA-N 0 0 381.335 5.361 50 5 GKBARN CC(C)c1ccccc1NC(=O)c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000002761682 220562614 /nfs/dbraw/zinc/56/26/14/220562614.db2.gz ZOVHKVSVLAOJPI-UHFFFAOYSA-N 0 0 380.400 5.143 50 5 GKBARN CCCC1CCC(c2ccc(-c3noc(-c4ccc([N+](=O)[O-])cc4)n3)cc2)CC1 ZINC000002902136 220580771 /nfs/dbraw/zinc/58/07/71/220580771.db2.gz CCCBQVQYNNXXEC-UHFFFAOYSA-N 0 0 391.471 6.386 50 5 GKBARN O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000002978793 220591878 /nfs/dbraw/zinc/59/18/78/220591878.db2.gz NJMSQHAOCSYUND-UHFFFAOYSA-N 0 0 398.802 5.058 50 5 GKBARN COc1cc(C(c2ccc(C)s2)c2ccc(C)s2)c([N+](=O)[O-])cc1OC ZINC000003846769 220666320 /nfs/dbraw/zinc/66/63/20/220666320.db2.gz CQJUJRHMBJHYIC-UHFFFAOYSA-N 0 0 389.498 5.532 50 5 GKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccc2ccccc21 ZINC000004031596 220672531 /nfs/dbraw/zinc/67/25/31/220672531.db2.gz JVEFLJZIXZAEBT-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN CC(C)c1ccc(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)cc1 ZINC000004668261 220744643 /nfs/dbraw/zinc/74/46/43/220744643.db2.gz ZEVLAWOUVIHXEM-IRXDYDNUSA-N 0 0 395.503 5.453 50 5 GKBARN Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000004799916 220766360 /nfs/dbraw/zinc/76/63/60/220766360.db2.gz QUCONQGNAWGIHV-UHFFFAOYSA-N 0 0 375.428 5.138 50 5 GKBARN CN(Cc1ccccc1)C(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000004833220 220772350 /nfs/dbraw/zinc/77/23/50/220772350.db2.gz OXDRZJWUXKGJND-UHFFFAOYSA-N 0 0 396.830 5.313 50 5 GKBARN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000005064069 220823613 /nfs/dbraw/zinc/82/36/13/220823613.db2.gz GHYDZEKAXBQMKP-CQSZACIVSA-N 0 0 395.846 5.674 50 5 GKBARN CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1cccc2ccccc21 ZINC000005719500 220894921 /nfs/dbraw/zinc/89/49/21/220894921.db2.gz BEQABNJFNFVINR-DQRAZIAOSA-N 0 0 375.453 5.530 50 5 GKBARN CCC(=O)Oc1cn(C2CCCCC2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000008465015 221041728 /nfs/dbraw/zinc/04/17/28/221041728.db2.gz PKKZWTAFNGLQPE-UHFFFAOYSA-N 0 0 390.487 5.220 50 5 GKBARN CCCCc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000009117754 221070724 /nfs/dbraw/zinc/07/07/24/221070724.db2.gz QEDXVJLOHVWEHT-UHFFFAOYSA-N 0 0 384.479 5.136 50 5 GKBARN O=C(CSc1nc2ccccc2c2ccccc21)Nc1cccc(Cl)c1 ZINC000012139466 221157553 /nfs/dbraw/zinc/15/75/53/221157553.db2.gz RIKABZZPWAGIQQ-UHFFFAOYSA-N 0 0 378.884 5.772 50 5 GKBARN CC(C)c1ccc([C@@H](C)NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000012527860 221202895 /nfs/dbraw/zinc/20/28/95/221202895.db2.gz YFYKXZWHHTXQPL-GOSISDBHSA-N 0 0 398.506 5.156 50 5 GKBARN CCc1ccc(-c2nc(C)c(C(=O)Nc3cccc([N+](=O)[O-])c3C)s2)cc1 ZINC000012920113 221246142 /nfs/dbraw/zinc/24/61/42/221246142.db2.gz DUKFQGSQWMORLO-UHFFFAOYSA-N 0 0 381.457 5.150 50 5 GKBARN Cc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1Cl ZINC000002113339 136193262 /nfs/dbraw/zinc/19/32/62/136193262.db2.gz WQDUXRRSSAHUGT-UHFFFAOYSA-N 0 0 377.827 5.265 50 5 biogenic GKBARN Cc1ccc(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)cc1F ZINC000002123666 136193388 /nfs/dbraw/zinc/19/33/88/136193388.db2.gz MDSURZDPMVRMJJ-UHFFFAOYSA-N 0 0 375.399 5.059 50 5 biogenic GKBARN CC(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccc(F)cc2)n1 ZINC000036349557 221851643 /nfs/dbraw/zinc/85/16/43/221851643.db2.gz PIKUGFGCIMDSOY-UHFFFAOYSA-N 0 0 399.447 5.732 50 5 GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN([C@H]1CCCc3ccccc31)CO2 ZINC000061997723 222064105 /nfs/dbraw/zinc/06/41/05/222064105.db2.gz WODRETOMDXVIDU-QHCPKHFHSA-N 0 0 397.474 5.484 50 5 biogenic GKBARN Cc1ccc(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000001164707 534191773 /nfs/dbraw/zinc/19/17/73/534191773.db2.gz TYCQTKWJZMGXQN-UHFFFAOYSA-N 0 0 378.453 5.615 50 5 GKBARN COc1ccc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004757556 525346349 /nfs/dbraw/zinc/34/63/49/525346349.db2.gz AZIQFIZOMWOWDB-QFIPXVFZSA-N 0 0 390.439 5.338 50 5 aggregator GKBARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000752633 525449715 /nfs/dbraw/zinc/44/97/15/525449715.db2.gz XMYMRMCDWWHWTA-IERDGZPVSA-N 0 0 387.439 5.187 50 5 GKBARN O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000008185935 527114082 /nfs/dbraw/zinc/11/40/82/527114082.db2.gz MNPCEKMEMRGLKZ-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN CCCCCC1CCC(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000004092463 528114066 /nfs/dbraw/zinc/11/40/66/528114066.db2.gz PDLCNRPLXIPNJJ-UHFFFAOYSA-N 0 0 394.515 6.701 50 5 GKBARN CC(C)Cn1cc(NCc2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C(F)F)n1 ZINC000095455355 528722124 /nfs/dbraw/zinc/72/21/24/528722124.db2.gz DJSTXMBXRGWGMZ-UHFFFAOYSA-N 0 0 390.390 5.257 50 5 GKBARN O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1 ZINC000000658482 570215078 /nfs/dbraw/zinc/21/50/78/570215078.db2.gz IEWZULBPMDXTLX-UHFFFAOYSA-N 0 0 396.475 5.062 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cnc(SC3CCCC3)n2-c2ccc(F)cc2)c1 ZINC000044087121 570235054 /nfs/dbraw/zinc/23/50/54/570235054.db2.gz BSQVWJRZPZVJEL-UHFFFAOYSA-N 0 0 383.448 5.621 50 5 GKBARN O=C(Cc1cccc2ccccc21)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000006084680 570239496 /nfs/dbraw/zinc/23/94/96/570239496.db2.gz BONLQJCFWFNIMC-UHFFFAOYSA-N 0 0 394.426 5.385 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1cn2c3ccc(F)cc3sc2n1 ZINC000001183704 570256191 /nfs/dbraw/zinc/25/61/91/570256191.db2.gz SXXRIRXBGPRJHA-UHFFFAOYSA-N 0 0 386.407 5.615 50 5 GKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000012866502 570269479 /nfs/dbraw/zinc/26/94/79/570269479.db2.gz VPJAWIILYLUBPW-HNNXBMFYSA-N 0 0 396.418 5.146 50 5 GKBARN Nc1ccccc1Sc1ccc2c(=O)n3c4ccccc4nc3c3cccc1c32 ZINC000006133685 570276216 /nfs/dbraw/zinc/27/62/16/570276216.db2.gz JFADEODGMAKVRR-UHFFFAOYSA-N 0 0 393.471 5.325 50 5 GKBARN O=C(Nc1sccc1-c1nc2ccccc2s1)c1ccc([N+](=O)[O-])s1 ZINC000010694770 570283195 /nfs/dbraw/zinc/28/31/95/570283195.db2.gz CMNWDWOKLQWZHK-UHFFFAOYSA-N 0 0 387.467 5.247 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12 ZINC000000714014 570300263 /nfs/dbraw/zinc/30/02/63/570300263.db2.gz BNLGQOBZYBKGHG-GCKKQHTFSA-N 0 0 398.462 5.529 50 5 GKBARN Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)c1 ZINC000000726835 570304091 /nfs/dbraw/zinc/30/40/91/570304091.db2.gz OMCPDUHCJQDJGX-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN CC1CCN(C(=O)c2ccccc2Sc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000004832636 570305918 /nfs/dbraw/zinc/30/59/18/570305918.db2.gz CGSXRVVHKFWFBS-UHFFFAOYSA-N 0 0 390.892 5.272 50 5 GKBARN COc1ccc(-c2ccccc2)cc1NCc1c2ccccc2cc2ccccc21 ZINC000002894110 570317446 /nfs/dbraw/zinc/31/74/46/570317446.db2.gz TUNDQYIOWLSWPC-UHFFFAOYSA-N 0 0 389.498 7.281 50 5 GKBARN Brc1ccc(-c2nc3ccc4ccccc4c3c3c2CCCC3)cc1 ZINC000002963180 570320413 /nfs/dbraw/zinc/32/04/13/570320413.db2.gz RWOFLLVJKOWPJS-UHFFFAOYSA-N 0 0 388.308 6.696 50 5 GKBARN Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c3ccccc3c(=O)oc12 ZINC000002994256 570324242 /nfs/dbraw/zinc/32/42/42/570324242.db2.gz HCGAXBBGJWSKDQ-UHFFFAOYSA-N 0 0 394.810 5.216 50 5 GKBARN c1ccc(CSc2nnc3nc4c5ccccc5c5ccccc5c4nn32)cc1 ZINC000003120327 570329323 /nfs/dbraw/zinc/32/93/23/570329323.db2.gz XXCHDSRRVGDRAG-UHFFFAOYSA-N 0 0 393.475 5.271 50 5 GKBARN CCCc1ccc(-c2csc(NC(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1 ZINC000006221517 570343945 /nfs/dbraw/zinc/34/39/45/570343945.db2.gz YDZHFLFKQLYUKD-UHFFFAOYSA-N 0 0 381.457 5.232 50 5 GKBARN O=C(Nc1ccc(F)cc1F)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004872318 570351927 /nfs/dbraw/zinc/35/19/27/570351927.db2.gz XJWPDJAXTDOUTI-LDADJPATSA-N 0 0 380.350 5.052 50 5 GKBARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)s1 ZINC000004893355 570357038 /nfs/dbraw/zinc/35/70/38/570357038.db2.gz AJHMFUPWYCFLBP-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000000824702 570374633 /nfs/dbraw/zinc/37/46/33/570374633.db2.gz OZZDSKHMCPXCNX-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN Cc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 ZINC000004420198 570374643 /nfs/dbraw/zinc/37/46/43/570374643.db2.gz WEWSYOOEWPKUNV-UHFFFAOYSA-N 0 0 385.448 5.517 50 5 GKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(C)cc32)cc1 ZINC000004970036 570385112 /nfs/dbraw/zinc/38/51/12/570385112.db2.gz BPYIFYMVSPYLMH-UHFFFAOYSA-N 0 0 394.434 5.766 50 5 GKBARN Cc1cc(SCc2cc(=O)oc3ccc4ccccc4c23)nc2ccccc12 ZINC000006330644 570393754 /nfs/dbraw/zinc/39/37/54/570393754.db2.gz GBSLDCWOECBLLO-UHFFFAOYSA-N 0 0 383.472 6.095 50 5 GKBARN CCCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000005017150 570397043 /nfs/dbraw/zinc/39/70/43/570397043.db2.gz NMTQMYPHBBGCNI-UHFFFAOYSA-N 0 0 381.479 5.883 50 5 GKBARN Cc1c2cc(Cl)c(C)cc2oc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005028178 570398980 /nfs/dbraw/zinc/39/89/80/570398980.db2.gz MENYGURXIKUPKW-UHFFFAOYSA-N 0 0 379.199 5.517 50 5 GKBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1ccc(C(F)(F)F)cc1 ZINC000004744048 570401385 /nfs/dbraw/zinc/40/13/85/570401385.db2.gz YIVHFJRGAMYGEJ-UHFFFAOYSA-N 0 0 399.393 5.686 50 5 GKBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccccc1Cl ZINC000005033238 570401783 /nfs/dbraw/zinc/40/17/83/570401783.db2.gz BMMLBHDMSBWLHZ-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2cccc(OC(F)F)c2c1Cl ZINC000006402306 570405116 /nfs/dbraw/zinc/40/51/16/570405116.db2.gz UDIYJXUPLBIXRB-UHFFFAOYSA-N 0 0 398.774 5.317 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1 ZINC000005094170 570415061 /nfs/dbraw/zinc/41/50/61/570415061.db2.gz POINIRWUEOOJSN-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN Clc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1nc2ccccc2o1 ZINC000004918707 570418348 /nfs/dbraw/zinc/41/83/48/570418348.db2.gz XGIVPBFHTQWXOP-UHFFFAOYSA-N 0 0 384.826 5.581 50 5 GKBARN O=C(Oc1ccc(-c2ccccc2)cc1Br)c1ccccc1[N+](=O)[O-] ZINC000001779884 570423503 /nfs/dbraw/zinc/42/35/03/570423503.db2.gz QIZNFYKSXUCXQM-UHFFFAOYSA-N 0 0 398.212 5.244 50 5 GKBARN Cc1ccc2c(oc(=O)c3c(-c4ccncc4)nc4c5ccccc5oc4c23)c1C ZINC000011865276 570440292 /nfs/dbraw/zinc/44/02/92/570440292.db2.gz BHZURVGMADLTSM-UHFFFAOYSA-N 0 0 392.414 5.919 50 5 GKBARN O=[N+]([O-])c1cc(CSc2nc3cc(Cl)ccc3s2)c2c(c1)COCO2 ZINC000006473318 570444163 /nfs/dbraw/zinc/44/41/63/570444163.db2.gz NYBMXHAKLLVIOL-UHFFFAOYSA-N 0 0 394.861 5.017 50 5 GKBARN O=C(Nc1nc2c(ccc3ccccc23)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006550489 570473441 /nfs/dbraw/zinc/47/34/41/570473441.db2.gz BCYQEEYPZSZWDF-UHFFFAOYSA-N 0 0 383.816 5.263 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005165066 570478450 /nfs/dbraw/zinc/47/84/50/570478450.db2.gz HTGYDIKALWYGPT-UHFFFAOYSA-N 0 0 382.341 5.337 50 5 GKBARN O=[N+]([O-])c1ccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)cc1 ZINC000006566913 570478813 /nfs/dbraw/zinc/47/88/13/570478813.db2.gz NFKLWCCYPZCRHR-UHFFFAOYSA-N 0 0 381.395 5.195 50 5 GKBARN O=[N+]([O-])c1ccc2c3c(cccc31)C/C2=C\c1ccc(OCc2ccccc2)cc1 ZINC000002027544 570488361 /nfs/dbraw/zinc/48/83/61/570488361.db2.gz SKAQHYUEDOVKMV-RCCKNPSSSA-N 0 0 393.442 6.424 50 5 GKBARN O=c1oc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)nc2c(Cl)cc(Cl)cc12 ZINC000005200417 570498884 /nfs/dbraw/zinc/49/88/84/570498884.db2.gz UGGQGXGEEQKSOW-DUXPYHPUSA-N 0 0 397.601 5.227 50 5 GKBARN O=C(Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 ZINC000002051109 570500656 /nfs/dbraw/zinc/50/06/56/570500656.db2.gz JEFCILHFHZVYEE-OWOJBTEDSA-N 0 0 378.815 5.671 50 5 GKBARN CCCCc1nc2oc3cc4ccccc4cc3c(=O)c2c2nc3ccccc3n21 ZINC000005208770 570506954 /nfs/dbraw/zinc/50/69/54/570506954.db2.gz JTFHGDGHXHOVBM-UHFFFAOYSA-N 0 0 393.446 5.638 50 5 GKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000002807127 570519678 /nfs/dbraw/zinc/51/96/78/570519678.db2.gz LKOOFNNHPMHAQG-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 ZINC000005235446 570523813 /nfs/dbraw/zinc/52/38/13/570523813.db2.gz MYVJPTQHKVKORN-ISKFKSNPSA-N 0 0 399.450 5.454 50 5 GKBARN COc1ccc(OCCn2c3ccc(C)cc3c3nc4ccccc4nc32)cc1 ZINC000005234830 570523817 /nfs/dbraw/zinc/52/38/17/570523817.db2.gz UYURUPXNGPDOBV-UHFFFAOYSA-N 0 0 383.451 5.134 50 5 GKBARN O=C(NC1CCCCCC1)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970417 570523820 /nfs/dbraw/zinc/52/38/20/570523820.db2.gz NGSLHHXJRYRPON-UHFFFAOYSA-N 0 0 390.512 5.151 50 5 GKBARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@]2(Br)[N+](=O)[O-] ZINC000005276443 570546580 /nfs/dbraw/zinc/54/65/80/570546580.db2.gz JONDYXQWDHVHOG-FUIGDMOMSA-N 0 0 384.358 5.787 50 5 GKBARN Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)oc1ccccc1c2=O ZINC000005399733 570584813 /nfs/dbraw/zinc/58/48/13/570584813.db2.gz UJLMZXUQXFJSLG-UHFFFAOYSA-N 0 0 382.415 5.692 50 5 biogenic GKBARN Cc1cc(NC(=O)c2sc3cc(F)ccc3c2Cl)c([N+](=O)[O-])cc1C ZINC000005417981 570588910 /nfs/dbraw/zinc/58/89/10/570588910.db2.gz AFGPANQROIMYDJ-UHFFFAOYSA-N 0 0 378.812 5.471 50 5 GKBARN O=c1c2ccccc2oc2cc(OCc3c(Cl)cccc3Cl)cc(O)c12 ZINC000005441126 570594314 /nfs/dbraw/zinc/59/43/14/570594314.db2.gz PFYGYUKUDMFNBC-UHFFFAOYSA-N 0 0 387.218 5.538 50 5 biogenic GKBARN Cc1cc(C)c2nc(S[C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])cc(C)c2c1 ZINC000006788648 570594422 /nfs/dbraw/zinc/59/44/22/570594422.db2.gz WPTHMDZTISQVLG-HNNXBMFYSA-N 0 0 395.484 5.188 50 5 GKBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1OCc1ccc(Cl)cc1 ZINC000003288980 570601801 /nfs/dbraw/zinc/60/18/01/570601801.db2.gz WWJIJTWXVSBPHT-UHFFFAOYSA-N 0 0 397.814 5.184 50 5 GKBARN O=C(/C=C/c1ccccc1Cl)OCc1cc(=O)oc2ccc3ccccc3c12 ZINC000003355177 570604344 /nfs/dbraw/zinc/60/43/44/570604344.db2.gz OVWQBORSFRFKJY-ZRDIBKRKSA-N 0 0 390.822 5.356 50 5 GKBARN Cc1ccccc1-n1c(=O)c2ccc3oc4ccccc4c4ccc(c1=O)c2c34 ZINC000005509748 570618675 /nfs/dbraw/zinc/61/86/75/570618675.db2.gz AHBPURPMASZFSL-UHFFFAOYSA-N 0 0 377.399 5.150 50 5 GKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2Cc1ccc(OC(C)C)cc1 ZINC000005516086 570623613 /nfs/dbraw/zinc/62/36/13/570623613.db2.gz PDPRYOOFHMKWRK-UHFFFAOYSA-N 0 0 397.478 5.582 50 5 GKBARN O=[N+]([O-])c1cccc([C@@H]2c3cccn3CCCN2Cc2ccc(F)c(Cl)c2)c1 ZINC000036347320 570628517 /nfs/dbraw/zinc/62/85/17/570628517.db2.gz XIUDRDWYVFTUSK-OAQYLSRUSA-N 0 0 399.853 5.184 50 5 GKBARN O=[N+]([O-])c1cccc(CN2CCCn3cccc3[C@@H]2c2ccccc2Cl)c1 ZINC000036347397 570628789 /nfs/dbraw/zinc/62/87/89/570628789.db2.gz AILYGYDEOHGTKG-NRFANRHFSA-N 0 0 381.863 5.045 50 5 GKBARN CC(C)c1ccc(CN2CCCn3cccc3[C@@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347805 570630156 /nfs/dbraw/zinc/63/01/56/570630156.db2.gz DLZOVIRRLWDBKQ-DEOSSOPVSA-N 0 0 389.499 5.515 50 5 GKBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(NC2CCCCCC2)cc1NC1CCCCCC1 ZINC000005588942 570662020 /nfs/dbraw/zinc/66/20/20/570662020.db2.gz LVMAYZCHDQYXIP-UHFFFAOYSA-N 0 0 390.484 5.772 50 5 GKBARN COc1ccccc1Oc1ccc(-c2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-] ZINC000000868181 570663853 /nfs/dbraw/zinc/66/38/53/570663853.db2.gz FABCSJOPQWUXBL-UHFFFAOYSA-N 0 0 389.367 5.113 50 5 GKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c3ccccc3n2)o1 ZINC000004614193 570666739 /nfs/dbraw/zinc/66/67/39/570666739.db2.gz LRCKJYCGHLWELH-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000005604967 570668427 /nfs/dbraw/zinc/66/84/27/570668427.db2.gz GTYKUNNNPZBBHB-UHFFFAOYSA-N 0 0 399.427 5.465 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2c[nH]c3ccccc23)nc1-c1ccccc1 ZINC000005634899 570676842 /nfs/dbraw/zinc/67/68/42/570676842.db2.gz BXAYMDPCPNJOPY-UHFFFAOYSA-N 0 0 394.434 6.109 50 5 GKBARN O=[N+]([O-])c1ccc(C(c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 ZINC000003129724 570680417 /nfs/dbraw/zinc/68/04/17/570680417.db2.gz LJRFNQXPBYFIKQ-UHFFFAOYSA-N 0 0 375.595 5.005 50 5 GKBARN Cc1ccccc1COc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000034680467 570690317 /nfs/dbraw/zinc/69/03/17/570690317.db2.gz IJKQZHKNOOYNJJ-UHFFFAOYSA-N 0 0 387.395 5.199 50 5 GKBARN CCCOc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1OCCC ZINC000006981183 570729126 /nfs/dbraw/zinc/72/91/26/570729126.db2.gz NMRRPIDCJWSNOQ-UHFFFAOYSA-N 0 0 392.839 5.078 50 5 GKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3n(C)c2-c2ccccc2)cc1 ZINC000000946558 570734733 /nfs/dbraw/zinc/73/47/33/570734733.db2.gz KJEAZDXPDUASAN-OAQYLSRUSA-N 0 0 386.451 5.263 50 5 GKBARN COc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(C)cc2)cc1 ZINC000000946562 570734772 /nfs/dbraw/zinc/73/47/72/570734772.db2.gz USZQKWNLCPCDET-OAQYLSRUSA-N 0 0 386.451 5.561 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(C)c1 ZINC000000995138 570742122 /nfs/dbraw/zinc/74/21/22/570742122.db2.gz AHVCDDYYKBZWNS-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000001004562 570745806 /nfs/dbraw/zinc/74/58/06/570745806.db2.gz OLNLJAZKIKTNQA-FQEVSTJZSA-N 0 0 390.414 5.391 50 5 GKBARN COc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccc(C)cc2O3)cc1 ZINC000001088439 570752224 /nfs/dbraw/zinc/75/22/24/570752224.db2.gz HSTBSJGOZKUBSM-UHFFFAOYSA-N 0 0 392.367 5.062 50 5 biogenic GKBARN CCOc1ccc(-c2cc(-c3ccc(O)cc3)c3c(ccc4ccccc43)n2)cc1 ZINC000013285127 570752669 /nfs/dbraw/zinc/75/26/69/570752669.db2.gz IRZZRFHAQDWBBE-UHFFFAOYSA-N 0 0 391.470 6.826 50 5 GKBARN O=C(Nc1ccc(Cl)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000001117636 570753714 /nfs/dbraw/zinc/75/37/14/570753714.db2.gz JXIBSYYRNVPIGZ-UHFFFAOYSA-N 0 0 384.844 5.652 50 5 GKBARN CCC(=O)Oc1cn(-c2ccc(C)cc2)c2nc(CC)n3c4ccccc4nc3c12 ZINC000013541306 570757013 /nfs/dbraw/zinc/75/70/13/570757013.db2.gz ANTJSQQNDJQAAH-UHFFFAOYSA-N 0 0 398.466 5.013 50 5 GKBARN O=C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccc(Cl)cc1Cl ZINC000001146617 570757388 /nfs/dbraw/zinc/75/73/88/570757388.db2.gz DHXIFSRPKZIRMQ-UHFFFAOYSA-N 0 0 385.202 5.472 50 5 GKBARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c3c(cccc31)CC2 ZINC000001164588 570758725 /nfs/dbraw/zinc/75/87/25/570758725.db2.gz DCBSELHWTKVCTE-VZUCSPMQSA-N 0 0 378.815 5.152 50 5 GKBARN Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1[N+](=O)[O-] ZINC000001165988 570759762 /nfs/dbraw/zinc/75/97/62/570759762.db2.gz DXAULNUIWVJDPK-UHFFFAOYSA-N 0 0 378.453 5.448 50 5 GKBARN Cc1c(CCc2ccc([N+](=O)[O-])cc2)nc(-c2ccccc2)nc1-c1ccccc1 ZINC000096601929 570774335 /nfs/dbraw/zinc/77/43/35/570774335.db2.gz MSPQJQUELSKZJV-UHFFFAOYSA-N 0 0 395.462 5.812 50 5 GKBARN CC1=Nc2c3ccccc3c3ccccc3c2O[C@@]12N(C)c1ccccc1C2(C)C ZINC000096602721 570775260 /nfs/dbraw/zinc/77/52/60/570775260.db2.gz QESGDTGMVBLERI-MHZLTWQESA-N 0 0 392.502 6.602 50 5 GKBARN Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000001177742 570787945 /nfs/dbraw/zinc/78/79/45/570787945.db2.gz OUFOYPRTPACSLK-FQEVSTJZSA-N 0 0 393.830 5.328 50 5 GKBARN C[C@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 ZINC000001181736 570790806 /nfs/dbraw/zinc/79/08/06/570790806.db2.gz JZBUSWXHRCFISV-KSFYIVLOSA-N 0 0 387.439 5.187 50 5 GKBARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2o1 ZINC000001186543 570791302 /nfs/dbraw/zinc/79/13/02/570791302.db2.gz XDPYFYLSTFYWCF-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN CCc1ccc2oc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1 ZINC000001208665 570793585 /nfs/dbraw/zinc/79/35/85/570793585.db2.gz STNGKNNRFUJVIM-UHFFFAOYSA-N 0 0 387.395 5.218 50 5 GKBARN Cc1c(Cl)cc(C(C)(C)C)c(O)c1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000005678125 570795430 /nfs/dbraw/zinc/79/54/30/570795430.db2.gz CQPIWGICCRJEBY-UHFFFAOYSA-N 0 0 397.258 5.465 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000005939019 570806114 /nfs/dbraw/zinc/80/61/14/570806114.db2.gz AAFFJLKBTXPPIY-IBGZPJMESA-N 0 0 381.819 5.040 50 5 GKBARN CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000007158821 570806427 /nfs/dbraw/zinc/80/64/27/570806427.db2.gz RKCVGTPDAOHQRW-UHFFFAOYSA-N 0 0 375.428 5.394 50 5 GKBARN O=[N+]([O-])c1ccc(/C=C/c2nc3cc(Cl)ccc3c(N3CCCCC3)n2)cc1 ZINC000005944507 570807332 /nfs/dbraw/zinc/80/73/32/570807332.db2.gz HUKFLSPHJOHQSM-IZZDOVSWSA-N 0 0 394.862 5.352 50 5 GKBARN Cc1nn(-c2cc(Cl)ccc2Cl)c(C)c1-c1cc([N+](=O)[O-])ccc1Cl ZINC000004502130 570817361 /nfs/dbraw/zinc/81/73/61/570817361.db2.gz YLUYPAVFWWGVKL-UHFFFAOYSA-N 0 0 396.661 6.025 50 5 GKBARN Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc([N+](=O)[O-])c3)nc12 ZINC000004678491 570824656 /nfs/dbraw/zinc/82/46/56/570824656.db2.gz JXNXJYPSCQMIDU-UHFFFAOYSA-N 0 0 394.434 5.582 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Sc1ccccn1)c1ccccc1 ZINC000011225486 570826908 /nfs/dbraw/zinc/82/69/08/570826908.db2.gz LUPIWHJTSDGOFY-SFHVURJKSA-N 0 0 399.859 5.115 50 5 GKBARN CC(C)(C)c1ccccc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000012527223 570831802 /nfs/dbraw/zinc/83/18/02/570831802.db2.gz TWPYNTLSPFKKCZ-UHFFFAOYSA-N 0 0 384.479 5.091 50 5 GKBARN Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000004691427 570836219 /nfs/dbraw/zinc/83/62/19/570836219.db2.gz VWLODMOUAVEGBH-UHFFFAOYSA-N 0 0 383.231 5.008 50 5 GKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)oc2c1 ZINC000004703886 570842791 /nfs/dbraw/zinc/84/27/91/570842791.db2.gz UTQZXYZIABUSLG-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(NCc3ccccc3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706660 570842802 /nfs/dbraw/zinc/84/28/02/570842802.db2.gz XOWZKUPPWPTMBZ-UHFFFAOYSA-N 0 0 395.846 5.421 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(NCc3ccco3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706722 570842898 /nfs/dbraw/zinc/84/28/98/570842898.db2.gz YXJHAVRFPGVYJE-UHFFFAOYSA-N 0 0 385.807 5.014 50 5 aggregator GKBARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000102487153 570849560 /nfs/dbraw/zinc/84/95/60/570849560.db2.gz BIXQVCNQNAXCRR-IENJSVCTSA-N 0 0 389.455 5.807 50 5 GKBARN Cc1cc2c(cc1C)N[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000102507323 570850181 /nfs/dbraw/zinc/85/01/81/570850181.db2.gz JYQKEQLTJNEXCM-QFIPXVFZSA-N 0 0 391.471 6.083 50 5 GKBARN O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003286162 570851227 /nfs/dbraw/zinc/85/12/27/570851227.db2.gz RXJPODRYAMSIAV-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCOc1ccc(Cl)cc1Cl ZINC000004550417 570853269 /nfs/dbraw/zinc/85/32/69/570853269.db2.gz SYOGJJCKOGVZNM-UHFFFAOYSA-N 0 0 383.231 5.008 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nn2)c1 ZINC000012550340 570853594 /nfs/dbraw/zinc/85/35/94/570853594.db2.gz WQEUXFNQUSHDRQ-UHFFFAOYSA-N 0 0 393.406 5.262 50 5 GKBARN c1ccc(-c2nc(-c3c4ccccc4cc4ccccc43)[nH]c2-c2ccccc2)cc1 ZINC000004714776 570855751 /nfs/dbraw/zinc/85/57/51/570855751.db2.gz UBTQCXUORSAVEL-UHFFFAOYSA-N 0 0 396.493 7.717 50 5 GKBARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004545692 570856086 /nfs/dbraw/zinc/85/60/86/570856086.db2.gz UTHKUZZXJNATCR-FZKQIMNGSA-N 0 0 399.516 5.626 50 5 GKBARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004545693 570856567 /nfs/dbraw/zinc/85/65/67/570856567.db2.gz UTHKUZZXJNATCR-SCLBCKFNSA-N 0 0 399.516 5.626 50 5 GKBARN CCSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087807 570863051 /nfs/dbraw/zinc/86/30/51/570863051.db2.gz LJEOUQIFMADGHY-UHFFFAOYSA-N 0 0 393.390 5.578 50 5 GKBARN CCc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1 ZINC000003451737 570870288 /nfs/dbraw/zinc/87/02/88/570870288.db2.gz UBXVQUZWCXJAJX-UHFFFAOYSA-N 0 0 387.848 5.186 50 5 GKBARN Cc1ccc(C2=N[C@@H]3C=CC=C[C@H]3S[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000004071794 570929529 /nfs/dbraw/zinc/92/95/29/570929529.db2.gz HXIHDRLMICWHIA-FCEUIQTBSA-N 0 0 376.481 5.434 50 5 GKBARN O=C(Nc1nc2c(cccc2Cl)s1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004079241 570930676 /nfs/dbraw/zinc/93/06/76/570930676.db2.gz CJVZZMQSVKVLEV-UHFFFAOYSA-N 0 0 389.845 5.325 50 5 GKBARN O=C(Cc1cc2c(ccc3ccccc32)oc1=O)c1ccc(-c2ccccc2)cc1 ZINC000003612345 570934696 /nfs/dbraw/zinc/93/46/96/570934696.db2.gz TTYKCJPPNVLBID-UHFFFAOYSA-N 0 0 390.438 6.039 50 5 GKBARN Cc1c(Cl)cccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000017017157 570936979 /nfs/dbraw/zinc/93/69/79/570936979.db2.gz FZVMMQUXXPHXIT-UHFFFAOYSA-N 0 0 390.830 5.910 50 5 GKBARN O=[N+]([O-])c1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1 ZINC000000758791 570952464 /nfs/dbraw/zinc/95/24/64/570952464.db2.gz ZSPWCWGEUHAFIQ-UHFFFAOYSA-N 0 0 381.395 5.195 50 5 GKBARN Cc1cccc(C(C)C)c1N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000002117078 570952798 /nfs/dbraw/zinc/95/27/98/570952798.db2.gz MFOLIUMGXOSWBF-UHFFFAOYSA-N 0 0 385.463 5.735 50 5 biogenic GKBARN Cc1c2ccccc2oc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000004750127 570954842 /nfs/dbraw/zinc/95/48/42/570954842.db2.gz RARMGVMVDZEPRK-UHFFFAOYSA-N 0 0 379.397 5.025 50 5 GKBARN O=c1oc2c(ccc3c2CN(c2cccc(Cl)c2Cl)CO3)c2ccccc12 ZINC000002120883 570955981 /nfs/dbraw/zinc/95/59/81/570955981.db2.gz WPAGBKDRMZIAPW-UHFFFAOYSA-N 0 0 398.245 5.610 50 5 biogenic GKBARN O=c1oc2c(ccc3c2CN(c2cc(Cl)cc(Cl)c2)CO3)c2ccccc12 ZINC000002122888 570956388 /nfs/dbraw/zinc/95/63/88/570956388.db2.gz KNCZNPJLBPRWKU-UHFFFAOYSA-N 0 0 398.245 5.610 50 5 biogenic GKBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000004134763 570962254 /nfs/dbraw/zinc/96/22/54/570962254.db2.gz RRNCAMXMZMTOJJ-PKNBQFBNSA-N 0 0 391.408 5.116 50 5 GKBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1 ZINC000004757992 570963510 /nfs/dbraw/zinc/96/35/10/570963510.db2.gz DLSDTHZQHWINJW-UHFFFAOYSA-N 0 0 387.867 5.554 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000004797207 570991869 /nfs/dbraw/zinc/99/18/69/570991869.db2.gz QBFYNBDRCCJMPX-UHFFFAOYSA-N 0 0 375.469 5.103 50 5 GKBARN Cc1ccc(Nc2c(-c3cccc([N+](=O)[O-])c3)nc3ccc(Cl)cn32)cc1 ZINC000004794043 570993639 /nfs/dbraw/zinc/99/36/39/570993639.db2.gz IFBBNRGJAJKJGN-UHFFFAOYSA-N 0 0 378.819 5.615 50 5 GKBARN O=[N+]([O-])c1ccc2c(c1)c1cc([N+](=O)[O-])ccc1n2Cc1ccccc1Cl ZINC000002191365 570994165 /nfs/dbraw/zinc/99/41/65/570994165.db2.gz UOVQOQMNPPJGNL-UHFFFAOYSA-N 0 0 381.775 5.313 50 5 GKBARN CCCCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002209083 571006150 /nfs/dbraw/zinc/00/61/50/571006150.db2.gz JMDJOUWMVVGYJE-UHFFFAOYSA-N 0 0 395.506 6.273 50 5 GKBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000252605846 571007038 /nfs/dbraw/zinc/00/70/38/571007038.db2.gz GNLMGPOTFVBMHW-GGAORHGYSA-N 0 0 385.423 5.146 50 5 GKBARN Cc1ccc(Oc2cc(C)nc(SCc3cccc([N+](=O)[O-])c3)n2)c(C)c1 ZINC000037510266 571021113 /nfs/dbraw/zinc/02/11/13/571021113.db2.gz WNTPWZBMRJGLNI-UHFFFAOYSA-N 0 0 381.457 5.395 50 5 GKBARN CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC000046086343 571023088 /nfs/dbraw/zinc/02/30/88/571023088.db2.gz DZVQQHJNUKQGDB-UHFFFAOYSA-N 0 0 382.416 5.389 50 5 GKBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000017111600 210204354 /nfs/dbraw/zinc/20/43/54/210204354.db2.gz YJJIXBKFIIGXBV-NJDAHSKKSA-N 0 0 377.827 5.628 50 5 GKBARN O=[N+]([O-])c1ccc(-c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1C(F)(F)F ZINC000016159828 210185350 /nfs/dbraw/zinc/18/53/50/210185350.db2.gz XTBWIABPTZDUPM-UHFFFAOYSA-N 0 0 380.200 5.208 50 5 GKBARN O=[N+]([O-])c1ccc(-c2c[nH]c(SC(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005888310 209619560 /nfs/dbraw/zinc/61/95/60/209619560.db2.gz WWDHGMDMNFLVLV-UHFFFAOYSA-N 0 0 387.464 5.867 50 5 aggregator GKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)c1 ZINC000005763182 209613824 /nfs/dbraw/zinc/61/38/24/209613824.db2.gz RPGSPPHRUQBWCR-XLIONFOSSA-N 0 0 395.802 5.084 50 5 GKBARN CCCOc1ccc([N+](=O)[O-])cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 ZINC000004881879 209539697 /nfs/dbraw/zinc/53/96/97/209539697.db2.gz GZKMLPSGMMCQFH-CSKARUKUSA-N 0 0 392.411 5.028 50 5 GKBARN O=C(Nc1cccc2ccccc21)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000004014334 209458010 /nfs/dbraw/zinc/45/80/10/209458010.db2.gz BPPTVWSUOUWMCT-UHFFFAOYSA-N 0 0 397.434 5.612 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1Nc1nc(-c2ccccc2F)nc2ccccc21 ZINC000002921799 209398944 /nfs/dbraw/zinc/39/89/44/209398944.db2.gz SGSVVQRYVWBWEI-UHFFFAOYSA-N 0 0 390.374 5.096 50 5 GKBARN CCCOc1c(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Cl ZINC000002852302 209390982 /nfs/dbraw/zinc/39/09/82/209390982.db2.gz YHCZIKKBNCCEPU-UHFFFAOYSA-N 0 0 383.231 5.251 50 5 GKBARN CCCCc1ccc2nc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)sc2c1 ZINC000002837776 209390152 /nfs/dbraw/zinc/39/01/52/209390152.db2.gz VHWZCZBDWLLXAK-UHFFFAOYSA-N 0 0 399.472 5.198 50 5 GKBARN O=C(OCc1cc([N+](=O)[O-])ccc1SC1CCCCC1)c1cccs1 ZINC000002534546 209368658 /nfs/dbraw/zinc/36/86/58/209368658.db2.gz ZJLSDIFJAVJFAF-UHFFFAOYSA-N 0 0 377.487 5.438 50 5 GKBARN O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3)c21 ZINC000002503841 209367915 /nfs/dbraw/zinc/36/79/15/209367915.db2.gz VJNWIPBZSHZQTI-UHFFFAOYSA-N 0 0 382.759 5.399 50 5 GKBARN CCc1ccc(S[C@@H](CC(=O)c2ccccc2)c2cccc([N+](=O)[O-])c2)s1 ZINC000002464449 209364947 /nfs/dbraw/zinc/36/49/47/209364947.db2.gz POKOBVWQNZPACH-FQEVSTJZSA-N 0 0 397.521 6.325 50 5 GKBARN Cc1ccc(C(C)C)c(OCCn2c3ccccc3c3nc4ccccc4nc32)c1 ZINC000002668936 209376522 /nfs/dbraw/zinc/37/65/22/209376522.db2.gz ULLWJEVSFQHXAG-UHFFFAOYSA-N 0 0 395.506 6.249 50 5 GKBARN CC(C)Cn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002340648 209357456 /nfs/dbraw/zinc/35/74/56/209357456.db2.gz YZGGDFVOJLCUSC-UHFFFAOYSA-N 0 0 392.503 5.178 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(C(C)C)cc2)nc1-c1ccccc1 ZINC000002312196 209356471 /nfs/dbraw/zinc/35/64/71/209356471.db2.gz ZEDSAHZQHYAKCZ-UHFFFAOYSA-N 0 0 397.478 6.751 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2ncnc3scc(-c4ccc(F)cc4)c32)cc1 ZINC000001915582 209342378 /nfs/dbraw/zinc/34/23/78/209342378.db2.gz VSTOZMWFWJIELC-UHFFFAOYSA-N 0 0 397.456 5.698 50 5 GKBARN CC(C)(C)c1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 ZINC000001858013 209341391 /nfs/dbraw/zinc/34/13/91/209341391.db2.gz NDJXNZINVMGHFP-UHFFFAOYSA-N 0 0 397.471 5.230 50 5 GKBARN O=c1c2c3c(sc2nc2c4c5c(sc4ncn12)CCCCC5)CCCCC3 ZINC000001803409 209339561 /nfs/dbraw/zinc/33/95/61/209339561.db2.gz RRMRUYARVSZUAV-UHFFFAOYSA-N 0 0 395.553 5.057 50 5 GKBARN O=[N+]([O-])c1ccc2c(c1)C=C1CCCCC3=Cc4cc([N+](=O)[O-])ccc4OC13O2 ZINC000001309205 209319344 /nfs/dbraw/zinc/31/93/44/209319344.db2.gz HDMJTLQFCCKDFZ-UHFFFAOYSA-N 0 0 392.367 5.025 50 5 GKBARN COc1ccc2cc(Br)ccc2c1COc1ccc([N+](=O)[O-])cc1 ZINC000001455681 209329575 /nfs/dbraw/zinc/32/95/75/209329575.db2.gz UFJRVINUXSMMQS-UHFFFAOYSA-N 0 0 388.217 5.098 50 5 GKBARN O=[N+]([O-])C[C@@H](c1c2ccccc2n(O)c1-c1ccccc1)c1ccc(Cl)cc1 ZINC000001463197 209329227 /nfs/dbraw/zinc/32/92/27/209329227.db2.gz DLOAPDDZZTZMMP-LJQANCHMSA-N 0 0 392.842 5.608 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccn3)nc3ccc4ccccc4c32)cc1 ZINC000001225950 209316599 /nfs/dbraw/zinc/31/65/99/209316599.db2.gz WXTXCVPBYCAGJG-UHFFFAOYSA-N 0 0 377.403 6.025 50 5 GKBARN O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001211690 209315112 /nfs/dbraw/zinc/31/51/12/209315112.db2.gz WFEGXFGEZMGMPB-UHFFFAOYSA-N 0 0 399.406 5.093 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)c2ccccc12 ZINC000001216519 209314656 /nfs/dbraw/zinc/31/46/56/209314656.db2.gz GJYCWNVGWDUGDO-UHFFFAOYSA-N 0 0 379.397 5.025 50 5 GKBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1 ZINC000001204010 209313602 /nfs/dbraw/zinc/31/36/02/209313602.db2.gz WKKZSXFANQCTFS-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])n2)c(C)c1 ZINC000001200439 209313067 /nfs/dbraw/zinc/31/30/67/209313067.db2.gz MAPOJSQPLJYDKR-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000001217727 209316656 /nfs/dbraw/zinc/31/66/56/209316656.db2.gz NAUKFAQOBSILGU-UHFFFAOYSA-N 0 0 380.831 5.091 50 5 GKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2ccccc2c1 ZINC000001163259 209308783 /nfs/dbraw/zinc/30/87/83/209308783.db2.gz JQKWSZUEWWONDL-UHFFFAOYSA-N 0 0 380.450 5.333 50 5 in-vitro GKBARN O=C(Nc1ccc2c3c(cccc31)CC2)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001167188 209310635 /nfs/dbraw/zinc/31/06/35/209310635.db2.gz QHASIFITWLYPPX-UHFFFAOYSA-N 0 0 384.391 5.359 50 5 GKBARN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1cc(C)ccc1C ZINC000001172934 209310142 /nfs/dbraw/zinc/31/01/42/209310142.db2.gz PWFUEMRMPKKZOW-UHFFFAOYSA-N 0 0 395.484 5.540 50 5 GKBARN O=Cc1ccc(OCc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 ZINC000001148883 209306336 /nfs/dbraw/zinc/30/63/36/209306336.db2.gz GWXJDPWZYHMGBD-UHFFFAOYSA-N 0 0 383.787 5.432 50 5 GKBARN CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1 ZINC000001138001 209305849 /nfs/dbraw/zinc/30/58/49/209305849.db2.gz RYRBMSAPDILBSB-UHFFFAOYSA-N 0 0 390.439 5.937 50 5 GKBARN Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1-c1nc2ccccc2o1 ZINC000001143556 209306769 /nfs/dbraw/zinc/30/67/69/209306769.db2.gz WOCGBOZFLFVVCC-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1cc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2cc1Cl ZINC000001142183 209304636 /nfs/dbraw/zinc/30/46/36/209304636.db2.gz VAWNGKUXZMEHMU-UHFFFAOYSA-N 0 0 382.228 5.072 50 5 GKBARN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001140113 209305267 /nfs/dbraw/zinc/30/52/67/209305267.db2.gz BTASBNJVZACCSR-UHFFFAOYSA-N 0 0 384.391 5.793 50 5 GKBARN CCOC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1c3ccccc3ccc12 ZINC000001096660 209300045 /nfs/dbraw/zinc/30/00/45/209300045.db2.gz CZEYZEGCXVPGLD-UHFFFAOYSA-N 0 0 393.442 5.653 50 5 GKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc2ccccc21 ZINC000001085748 209297980 /nfs/dbraw/zinc/29/79/80/209297980.db2.gz MOBKHVXXUQWCFP-UHFFFAOYSA-N 0 0 380.450 5.333 50 5 GKBARN O=[N+]([O-])C[C@H](c1c2ccccc2n(O)c1-c1ccccc1)c1ccccc1Cl ZINC000000723810 209262812 /nfs/dbraw/zinc/26/28/12/209262812.db2.gz JLCOEUDRHPWHTO-SFHVURJKSA-N 0 0 392.842 5.608 50 5 GKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)oc2cc1C ZINC000000678127 209258227 /nfs/dbraw/zinc/25/82/27/209258227.db2.gz OOYHMDTVOLGTIZ-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1ncc(-c2ccc(Cl)cc2)s1 ZINC000002060144 212263057 /nfs/dbraw/zinc/26/30/57/212263057.db2.gz NQOWDZFKXAYUDM-UHFFFAOYSA-N 0 0 389.863 6.390 50 5 GKBARN Cc1ccc(-c2ccnc(-c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)n2)cc1 ZINC000001392805 212241988 /nfs/dbraw/zinc/24/19/88/212241988.db2.gz YBMQSKWBRRCQAP-UHFFFAOYSA-N 0 0 397.434 5.606 50 5 GKBARN O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001216939 212229385 /nfs/dbraw/zinc/22/93/85/212229385.db2.gz PULWCFUKLYILPL-UHFFFAOYSA-N 0 0 394.258 5.144 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000001186729 212227259 /nfs/dbraw/zinc/22/72/59/212227259.db2.gz CKZRSOFUCYKRGD-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN CCc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)nc1-c1ccccc1 ZINC000001124580 212220182 /nfs/dbraw/zinc/22/01/82/212220182.db2.gz BPPMGKSHNVNKLM-UHFFFAOYSA-N 0 0 387.848 5.186 50 5 GKBARN CC(=O)Nc1cccc(Oc2cc([N+](=O)[O-])cc3c2C=Cc2ccccc2O3)c1 ZINC000001097641 212216092 /nfs/dbraw/zinc/21/60/92/212216092.db2.gz WLQDDIPZCGSTGY-UHFFFAOYSA-N 0 0 388.379 5.622 50 5 GKBARN Cc1c(NC(=O)c2cc(-c3cccs3)nc3ccccc32)cccc1[N+](=O)[O-] ZINC000001073666 212213630 /nfs/dbraw/zinc/21/36/30/212213630.db2.gz RXRBUPMSISQUQQ-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN COc1cc(Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(OC)cc1Cl ZINC000001059094 212210928 /nfs/dbraw/zinc/21/09/28/212210928.db2.gz CQDNNPZNWDNCBP-UHFFFAOYSA-N 0 0 391.836 5.133 50 5 GKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000997497 212204665 /nfs/dbraw/zinc/20/46/65/212204665.db2.gz LCSDEDMGBPRYOJ-UHFFFAOYSA-N 0 0 387.370 5.201 50 5 GKBARN O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000937384 212196440 /nfs/dbraw/zinc/19/64/40/212196440.db2.gz NTDZSAXMVKTTSL-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2c1 ZINC000000859869 212189857 /nfs/dbraw/zinc/18/98/57/212189857.db2.gz XSAARVNWTMKIRM-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)oc2c1 ZINC000000725970 212178186 /nfs/dbraw/zinc/17/81/86/212178186.db2.gz ZSRAZHSXSHKFNO-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1cc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)ccc1[N+](=O)[O-] ZINC000000677017 212173230 /nfs/dbraw/zinc/17/32/30/212173230.db2.gz ACJJLVAHAZIGQM-UHFFFAOYSA-N 0 0 391.358 5.103 50 5 GKBARN COc1cccc(-c2coc3c2cc2c4ccc(OC)cc4c(=O)oc2c3C)c1 ZINC000001156116 212143969 /nfs/dbraw/zinc/14/39/69/212143969.db2.gz CRXSOOCRQGPYHJ-UHFFFAOYSA-N 0 0 386.403 5.685 50 5 biogenic GKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004423323 212080292 /nfs/dbraw/zinc/08/02/92/212080292.db2.gz UCBQNQOOZVLGBU-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000299804374 212041684 /nfs/dbraw/zinc/04/16/84/212041684.db2.gz XZJOUSYWHXOAAK-GMAHTHKFSA-N 0 0 385.423 5.146 50 5 GKBARN O=C(Nc1cc(Sc2ccccn2)cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000000667854 203846415 /nfs/dbraw/zinc/84/64/15/203846415.db2.gz FXWYVUODAMIQCS-UHFFFAOYSA-N 0 0 385.832 5.047 50 5 GKBARN COc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)oc3=O)n2)cc1 ZINC000000841869 203858324 /nfs/dbraw/zinc/85/83/24/203858324.db2.gz HMGYPTYENBRJRD-UHFFFAOYSA-N 0 0 385.444 5.745 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cc(-c2ccccc2)nc2ccccc21 ZINC000000851748 203860289 /nfs/dbraw/zinc/86/02/89/203860289.db2.gz FRXLVWKMQUIOJR-UHFFFAOYSA-N 0 0 387.370 5.201 50 5 GKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc2ccccc21 ZINC000001114002 203884913 /nfs/dbraw/zinc/88/49/13/203884913.db2.gz ZEGITNDAXLGRAX-UHFFFAOYSA-N 0 0 395.465 5.089 50 5 GKBARN CCOc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c32)cc1 ZINC000002190915 203930196 /nfs/dbraw/zinc/93/01/96/203930196.db2.gz NYWVMDQNMNJSAK-UHFFFAOYSA-N 0 0 376.459 6.516 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c32)cc1 ZINC000002897929 203972940 /nfs/dbraw/zinc/97/29/40/203972940.db2.gz URDUSOVDHHPVID-UHFFFAOYSA-N 0 0 377.403 6.025 50 5 GKBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000002964897 203978043 /nfs/dbraw/zinc/97/80/43/203978043.db2.gz NLEIWLWNAPGUDI-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN C[C@H](OC(=O)c1c2ccccc2cc2ccccc21)C(=O)N(C)c1ccccc1 ZINC000003393256 204003900 /nfs/dbraw/zinc/00/39/00/204003900.db2.gz RHOCKQURMNTHBG-KRWDZBQOSA-N 0 0 383.447 5.201 50 5 GKBARN O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(F)cc1Cl ZINC000003514196 204011830 /nfs/dbraw/zinc/01/18/30/204011830.db2.gz MFCGKWCEJVWAEZ-UHFFFAOYSA-N 0 0 382.774 5.096 50 5 GKBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 ZINC000004014320 204023430 /nfs/dbraw/zinc/02/34/30/204023430.db2.gz AVOJYMPBYYTJMU-UHFFFAOYSA-N 0 0 381.819 5.113 50 5 GKBARN O=[N+]([O-])c1ccc(Sc2c(Cl)cccc2Cl)c(Br)c1 ZINC000004092167 204026340 /nfs/dbraw/zinc/02/63/40/204026340.db2.gz RNSSOHBKYVXXFI-UHFFFAOYSA-N 0 0 379.062 5.815 50 5 GKBARN COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004257503 204036003 /nfs/dbraw/zinc/03/60/03/204036003.db2.gz MSIRABQRIMQEHD-QFIPXVFZSA-N 0 0 391.402 5.098 50 5 GKBARN Cc1noc(/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000004709304 204066038 /nfs/dbraw/zinc/06/60/38/204066038.db2.gz XTHQEZXYMGHFFB-ZHACJKMWSA-N 0 0 393.830 5.718 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1Cl ZINC000004706902 204066419 /nfs/dbraw/zinc/06/64/19/204066419.db2.gz RHFZSFBANZYRHN-UHFFFAOYSA-N 0 0 387.867 5.045 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccc(OCc2ccccc2)cc1 ZINC000004771274 204074955 /nfs/dbraw/zinc/07/49/55/204074955.db2.gz LZOLEYOCERHVOY-UHFFFAOYSA-N 0 0 398.802 5.438 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC(c1ccccc1)c1ccccc1 ZINC000004794269 204076461 /nfs/dbraw/zinc/07/64/61/204076461.db2.gz MKNFSXWNRKFMBI-UHFFFAOYSA-N 0 0 381.819 5.159 50 5 GKBARN O=[N+]([O-])c1cccc([C@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 ZINC000004899007 204088586 /nfs/dbraw/zinc/08/85/86/204088586.db2.gz SYLCDKGPBDWDOE-QEIHPUECSA-N 0 0 399.450 5.989 50 5 GKBARN CSc1ccc(-c2cc(-c3cccnc3)c3c(ccc4ccccc43)n2)cc1 ZINC000004543852 204051095 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O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000000846078 206327642 /nfs/dbraw/zinc/32/76/42/206327642.db2.gz ZMXBGLVHKKZCKF-UHFFFAOYSA-N 0 0 384.800 5.145 50 5 GKBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1c(Cl)cccc1Cl ZINC000001042564 206344678 /nfs/dbraw/zinc/34/46/78/206344678.db2.gz KKLRXLFNVWJHHP-UHFFFAOYSA-N 0 0 380.105 5.140 50 5 GKBARN Cc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nnc2-c2ccco2)cc1 ZINC000001057981 206346624 /nfs/dbraw/zinc/34/66/24/206346624.db2.gz ORJVPIWDXJLYNJ-UHFFFAOYSA-N 0 0 392.440 5.036 50 5 GKBARN O=C(Nc1ccccc1Sc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001062311 206347232 /nfs/dbraw/zinc/34/72/32/206347232.db2.gz CYWLECZYSLGDIC-UHFFFAOYSA-N 0 0 384.844 5.652 50 5 GKBARN O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001108244 206353825 /nfs/dbraw/zinc/35/38/25/206353825.db2.gz VAJSCUZURVVXDL-UHFFFAOYSA-N 0 0 398.418 5.433 50 5 GKBARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000001116612 206354625 /nfs/dbraw/zinc/35/46/25/206354625.db2.gz XWQTVEQRXZTSFP-UHFFFAOYSA-N 0 0 381.457 5.268 50 5 GKBARN CC(C)N(C(=O)Cn1c2ccccc2c2nc3ccccc3nc21)c1ccccc1 ZINC000001308697 206371689 /nfs/dbraw/zinc/37/16/89/206371689.db2.gz VHPISHKBYJUHQG-UHFFFAOYSA-N 0 0 394.478 5.179 50 5 GKBARN Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4[N+](=O)[O-])ccc3o2)cc1C ZINC000001299434 206372417 /nfs/dbraw/zinc/37/24/17/206372417.db2.gz WAVZRIQAHIQTAH-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001413889 206379081 /nfs/dbraw/zinc/37/90/81/206379081.db2.gz NONUPGUVYWNKFM-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN O=C(O[C@@H](c1ccccc1)c1nccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000001448892 206383050 /nfs/dbraw/zinc/38/30/50/206383050.db2.gz CDZJZVDYUILCKW-QFIPXVFZSA-N 0 0 384.391 5.089 50 5 aggregator GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nccn1Cc1ccccc1 ZINC000001150539 206360303 /nfs/dbraw/zinc/36/03/03/206360303.db2.gz XCLLUDWONYYKIY-UHFFFAOYSA-N 0 0 379.363 5.010 50 5 GKBARN O=c1oc2cc(OCc3cccc(Br)c3)ccc2c2ccccc12 ZINC000001154269 206360994 /nfs/dbraw/zinc/36/09/94/206360994.db2.gz CHCZSZIYRUESIX-UHFFFAOYSA-N 0 0 381.225 5.288 50 5 GKBARN O=C(Nc1ccc(F)c([N+](=O)[O-])c1)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001181035 206364318 /nfs/dbraw/zinc/36/43/18/206364318.db2.gz IUJLFUUEMFRREN-IBGZPJMESA-N 0 0 382.416 5.206 50 5 GKBARN CC(C)(C)c1ccc(NC(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000001179390 206364380 /nfs/dbraw/zinc/36/43/80/206364380.db2.gz RCOLFZOWPYCTMS-UHFFFAOYSA-N 0 0 397.460 5.055 50 5 GKBARN COc1cc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(OC)cc1Cl ZINC000001194666 206365194 /nfs/dbraw/zinc/36/51/94/206365194.db2.gz JGDHRHHFYVHZOT-UHFFFAOYSA-N 0 0 391.836 5.133 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2cccc(Cl)c2)o1 ZINC000001185308 206365237 /nfs/dbraw/zinc/36/52/37/206365237.db2.gz OIWOGRRXZOEUNY-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN COc1ccccc1Oc1cc(NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000002798426 206436403 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Cc1ccc(-n2c(/C=C/c3ccccc3[N+](=O)[O-])nc3ccccc3c2=O)c(C)c1 ZINC000005047830 206587471 /nfs/dbraw/zinc/58/74/71/206587471.db2.gz XZRVNSHYKLGGPK-WYMLVPIESA-N 0 0 397.434 5.081 50 5 GKBARN CN(Cc1c(F)cccc1Cl)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000007779767 206723374 /nfs/dbraw/zinc/72/33/74/206723374.db2.gz RDTOKDHSXVZFTN-UHFFFAOYSA-N 0 0 397.155 5.696 50 5 GKBARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc([N+](=O)[O-])ccc1Cl ZINC000012921120 206952673 /nfs/dbraw/zinc/95/26/73/206952673.db2.gz CWLCBZVFUZZCBH-UHFFFAOYSA-N 0 0 399.859 5.113 50 5 GKBARN CC1(C)COC(CCCCC(=O)c2cc3ccccc3c3ccccc23)OC1 ZINC000043214504 210807070 /nfs/dbraw/zinc/80/70/70/210807070.db2.gz COZHCQXBYBQRRM-UHFFFAOYSA-N 0 0 376.496 6.135 50 5 GKBARN C[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 ZINC000019893557 207168323 /nfs/dbraw/zinc/16/83/23/207168323.db2.gz QXLBKOPHQFSSOR-FYYLOGMGSA-N 0 0 385.423 5.011 50 5 GKBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000023489976 207277888 /nfs/dbraw/zinc/27/78/88/207277888.db2.gz IAZXRGMNAPKLEH-LLVKDONJSA-N 0 0 399.299 5.041 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c(Cl)c1[C@@H]1Nc2cc(Cl)ccc2-c2ccnn21 ZINC000030952921 207377052 /nfs/dbraw/zinc/37/70/52/207377052.db2.gz OEVASFOVBJUCSQ-MRXNPFEDSA-N 0 0 395.633 5.391 50 5 GKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C(C)C)c3-c3ccc(O)cc3)c2ccc1O ZINC000079474741 208075962 /nfs/dbraw/zinc/07/59/62/208075962.db2.gz DFRTXIBNYAQVQT-UHFFFAOYSA-N 0 0 389.411 5.004 50 5 GKBARN Cc1ccc(CNc2ccc(-c3nc(-c4ccccc4)no3)cc2[N+](=O)[O-])cc1 ZINC000020897602 210367304 /nfs/dbraw/zinc/36/73/04/210367304.db2.gz XOUBCJIFKLXXLF-UHFFFAOYSA-N 0 0 386.411 5.232 50 5 GKBARN CCN(C(=O)Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(C)cc2)cs1 ZINC000020178635 210321607 /nfs/dbraw/zinc/32/16/07/210321607.db2.gz RUXJTFZVDZNDRP-UHFFFAOYSA-N 0 0 382.445 5.085 50 5 GKBARN Cc1noc(/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] ZINC000002883464 220579277 /nfs/dbraw/zinc/57/92/77/220579277.db2.gz LHBKVXGPBCIRGX-VQHVLOKHSA-N 0 0 375.178 5.084 50 5 GKBARN CCc1ccc(-c2csc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)n2)cc1 ZINC000002964121 220589102 /nfs/dbraw/zinc/58/91/02/220589102.db2.gz YTJWATOECBMPHM-UHFFFAOYSA-N 0 0 378.409 5.054 50 5 GKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])s4)cc3)sc2c1 ZINC000003296509 220622966 /nfs/dbraw/zinc/62/29/66/220622966.db2.gz WRGPDZVBZWQACM-UHFFFAOYSA-N 0 0 395.465 5.494 50 5 GKBARN C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)C1 ZINC000004519730 220726177 /nfs/dbraw/zinc/72/61/77/220726177.db2.gz KDOMNVROFXAFFA-ZIAGYGMSSA-N 0 0 388.851 5.159 50 5 GKBARN CCCCCCc1ccc(C2=N/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1 ZINC000004696561 220749215 /nfs/dbraw/zinc/74/92/15/220749215.db2.gz YLSVEKFWOPSXSS-HKWRFOASSA-N 0 0 378.428 5.062 50 5 GKBARN O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004803091 220766269 /nfs/dbraw/zinc/76/62/69/220766269.db2.gz NGEUDOBRNUMNTG-XSFVSMFZSA-N 0 0 378.815 5.428 50 5 GKBARN O=C(Nc1cc(Cl)ccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000004821232 220770926 /nfs/dbraw/zinc/77/09/26/220770926.db2.gz PLCGXSKQDKEMKO-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000005064161 220823468 /nfs/dbraw/zinc/82/34/68/220823468.db2.gz JQXHXQRPYCBKDF-UHFFFAOYSA-N 0 0 397.500 5.263 50 5 GKBARN O=[N+]([O-])c1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)c1 ZINC000005123747 220833150 /nfs/dbraw/zinc/83/31/50/220833150.db2.gz RPGSPPHRUQBWCR-PXNSSMCTSA-N 0 0 395.802 5.084 50 5 GKBARN COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OC(C)C ZINC000005318654 220856384 /nfs/dbraw/zinc/85/63/84/220856384.db2.gz VRXWNSIPABOZHU-UHFFFAOYSA-N 0 0 384.439 5.122 50 5 GKBARN CC/N=c1/sc2c(c3ccccc3c3ccccc23)n1-c1cccc([N+](=O)[O-])c1 ZINC000005499249 220875876 /nfs/dbraw/zinc/87/58/76/220875876.db2.gz RZVPHWYFEGHPSR-WCWDXBQESA-N 0 0 399.475 5.827 50 5 GKBARN O=[N+]([O-])c1ccccc1-c1cc(-c2ccccc2F)c2cc(Cl)ccc2n1 ZINC000007847831 221014521 /nfs/dbraw/zinc/01/45/21/221014521.db2.gz QQKRRWVOWBKTFU-UHFFFAOYSA-N 0 0 378.790 6.270 50 5 GKBARN Cc1ccc(C2=N[C@@H]3C=CC=C[C@@H]3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000011617364 221118392 /nfs/dbraw/zinc/11/83/92/221118392.db2.gz HXIHDRLMICWHIA-BAGYTPMASA-N 0 0 376.481 5.434 50 5 GKBARN O=C(CSc1nc2ccccc2c2ccccc21)N1CCCc2ccccc21 ZINC000012139469 221157255 /nfs/dbraw/zinc/15/72/55/221157255.db2.gz XKJMQBLWKCMJIZ-UHFFFAOYSA-N 0 0 384.504 5.460 50 5 GKBARN c1ccc2c(c1)nc1n2[C@@H](c2c3ccccc3cc3ccccc32)Nc2ccccc2-1 ZINC000012523871 221201270 /nfs/dbraw/zinc/20/12/70/221201270.db2.gz OKTKCNZUUHMSQL-NDEPHWFRSA-N 0 0 397.481 6.982 50 5 GKBARN Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2Cc2ccccc2)cc1 ZINC000013511376 221269989 /nfs/dbraw/zinc/26/99/89/221269989.db2.gz BTBGSUFTRTXZMO-UHFFFAOYSA-N 0 0 387.486 6.466 50 5 GKBARN Clc1ccc(-n2c(-c3ccccc3)cn3c4ccc5ccccc5c4nc32)cc1 ZINC000013787391 221288967 /nfs/dbraw/zinc/28/89/67/221288967.db2.gz ZCEZUPXFKROMDS-UHFFFAOYSA-N 0 0 393.877 6.752 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 ZINC000015636881 221337677 /nfs/dbraw/zinc/33/76/77/221337677.db2.gz GWNHRTQSJHQTOT-FCQUAONHSA-N 0 0 387.464 5.406 50 5 GKBARN Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc([N+](=O)[O-])c4)c3)oc2c1 ZINC000016348548 221360758 /nfs/dbraw/zinc/36/07/58/221360758.db2.gz JWERHADDKQUQDO-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN CC[C@H](C)c1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002114701 136193284 /nfs/dbraw/zinc/19/32/84/136193284.db2.gz GGPWXYKVQAMTHK-INIZCTEOSA-N 0 0 385.463 5.816 50 5 biogenic GKBARN Cc1ccc(Cl)cc1N1COc2c(C)c3oc(=O)c4ccccc4c3cc2C1 ZINC000002159480 136193352 /nfs/dbraw/zinc/19/33/52/136193352.db2.gz NWQJKAKFISRGIW-UHFFFAOYSA-N 0 0 391.854 5.573 50 5 biogenic GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccccc1Cl)CO2 ZINC000002159716 136193362 /nfs/dbraw/zinc/19/33/62/136193362.db2.gz QLAKRKPYJOUWMD-UHFFFAOYSA-N 0 0 377.827 5.265 50 5 biogenic GKBARN CCCCc1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002125151 136193477 /nfs/dbraw/zinc/19/34/77/136193477.db2.gz GDPQKGZDKUNOMC-UHFFFAOYSA-N 0 0 385.463 5.645 50 5 biogenic GKBARN Cc1ccc2c(c1)c1c3n2CCCN(Cc2ccccc2[N+](=O)[O-])[C@H]3CCC1 ZINC000055447662 222022320 /nfs/dbraw/zinc/02/23/20/222022320.db2.gz LKFIBCLULSLIKJ-QFIPXVFZSA-N 0 0 375.472 5.141 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1c1cccc(C)c1 ZINC000064984871 222092669 /nfs/dbraw/zinc/09/26/69/222092669.db2.gz HYIBPEDZBZHTAG-IBGZPJMESA-N 0 0 383.448 5.061 50 5 GKBARN O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000968527 534746305 /nfs/dbraw/zinc/74/63/05/534746305.db2.gz YJJIXBKFIIGXBV-ACRUOGEOSA-N 0 0 377.827 5.628 50 5 GKBARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000752632 524931850 /nfs/dbraw/zinc/93/18/50/524931850.db2.gz XMYMRMCDWWHWTA-KKSFZXQISA-N 0 0 387.439 5.187 50 5 GKBARN C[C@@H]1CN(C(=O)c2ccccc2)O[C@@H](c2c3ccccc3cc3ccccc32)O1 ZINC000000708790 570219366 /nfs/dbraw/zinc/21/93/66/570219366.db2.gz FCIFTQKVZPMRPF-NSYGIPOTSA-N 0 0 383.447 5.484 50 5 GKBARN Cc1ccc(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc32)CCCC5)cc1 ZINC000000719317 570220009 /nfs/dbraw/zinc/22/00/09/570220009.db2.gz GNDRBFZGKKDPMV-UHFFFAOYSA-N 0 0 397.503 5.312 50 5 GKBARN COc1cc(-c2nc3ccc4ccccc4c3c3c2CCC3)cc(OC)c1OC ZINC000000728374 570221315 /nfs/dbraw/zinc/22/13/15/570221315.db2.gz YKJAZHKMXQRODM-UHFFFAOYSA-N 0 0 385.463 5.570 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2cccc(F)c2)n1 ZINC000001510082 570253696 /nfs/dbraw/zinc/25/36/96/570253696.db2.gz PVZDTZYKUNQSHP-UHFFFAOYSA-N 0 0 388.423 5.952 50 5 GKBARN COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3cc2O)c(C)c1 ZINC000001682069 570267315 /nfs/dbraw/zinc/26/73/15/570267315.db2.gz GMGDWNYWMLZUEF-UHFFFAOYSA-N 0 0 396.446 5.749 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)cc1 ZINC000002029990 570272487 /nfs/dbraw/zinc/27/24/87/570272487.db2.gz VOUSPLFCGAPYIE-UHFFFAOYSA-N 0 0 376.415 6.630 50 5 GKBARN c1ccc(-c2sc3nc4c5ccccc5nc-4nn3c2-c2ccccc2)cc1 ZINC000002051732 570272669 /nfs/dbraw/zinc/27/26/69/570272669.db2.gz FBVNRGZQEFJEAM-UHFFFAOYSA-N 0 0 378.460 5.778 50 5 GKBARN Cc1ccc(-c2nc3cc(NC(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1Cl ZINC000002315279 570282297 /nfs/dbraw/zinc/28/22/97/570282297.db2.gz ZTFWQEQSUDLAFK-UHFFFAOYSA-N 0 0 397.774 5.210 50 5 GKBARN Cc1nc(CSc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cs1 ZINC000012899646 570287683 /nfs/dbraw/zinc/28/76/83/570287683.db2.gz YNYDVJKBIRWXFY-UHFFFAOYSA-N 0 0 399.497 5.213 50 5 GKBARN Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1[N+](=O)[O-] ZINC000000677439 570288351 /nfs/dbraw/zinc/28/83/51/570288351.db2.gz RYXYNQOHINUSSV-UHFFFAOYSA-N 0 0 391.358 5.103 50 5 GKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4[N+](=O)[O-])c3)nc2c1 ZINC000000678125 570288585 /nfs/dbraw/zinc/28/85/85/570288585.db2.gz QSQCYSWNMRLWIZ-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1cc2ccccc2c2c1op(N(C)C)oc1c(C)cc3ccccc3c12 ZINC000002529084 570290031 /nfs/dbraw/zinc/29/00/31/570290031.db2.gz MXASPZVRFOFONU-UHFFFAOYSA-N 0 0 387.419 7.411 50 5 GKBARN Oc1cc(O)cc(-c2c3ccccc3c(-c3cc(O)cc(O)c3)c3ccccc32)c1 ZINC000002585437 570291547 /nfs/dbraw/zinc/29/15/47/570291547.db2.gz BTBBWVMITMIXSY-UHFFFAOYSA-N 0 0 394.426 6.149 50 5 GKBARN c1ccc(-c2nc3ccc4c5sc(-c6ccccc6)nc5ccc4c3s2)cc1 ZINC000005553416 570293132 /nfs/dbraw/zinc/29/31/32/570293132.db2.gz UYSPJRRIVHCZTO-UHFFFAOYSA-N 0 0 394.524 7.393 50 5 GKBARN Cc1ccccc1COc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000034680334 570299394 /nfs/dbraw/zinc/29/93/94/570299394.db2.gz IHLVOWUZWYKOHG-UHFFFAOYSA-N 0 0 387.395 5.199 50 5 GKBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc2ccccc2c1 ZINC000000714696 570300133 /nfs/dbraw/zinc/30/01/33/570300133.db2.gz GMKRWTCIOFFVOP-QHCPKHFHSA-N 0 0 395.418 5.519 50 5 GKBARN Cc1cc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)oc2c(C)c1 ZINC000000726837 570303983 /nfs/dbraw/zinc/30/39/83/570303983.db2.gz NJVLVKJAWHIPAL-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)nc2c1 ZINC000000726839 570304087 /nfs/dbraw/zinc/30/40/87/570304087.db2.gz RKCFLDVEPRXUSX-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN CCOc1c(Cl)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Cl ZINC000004833080 570305883 /nfs/dbraw/zinc/30/58/83/570305883.db2.gz QNAOEGOCNACRJL-UHFFFAOYSA-N 0 0 389.622 5.206 50 5 GKBARN Cc1ccc2sc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1 ZINC000000753114 570313221 /nfs/dbraw/zinc/31/32/21/570313221.db2.gz CLQUMCZPDMYYOZ-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1ccc(I)cc1 ZINC000002951024 570319580 /nfs/dbraw/zinc/31/95/80/570319580.db2.gz VUSPGNHBYMRSOI-UHFFFAOYSA-N 0 0 398.199 5.218 50 5 GKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000016282639 570322002 /nfs/dbraw/zinc/32/20/02/570322002.db2.gz BWDKNWOEJJZZRW-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2cnc3ccccc3n2)cc1 ZINC000004860012 570348132 /nfs/dbraw/zinc/34/81/32/570348132.db2.gz MEJBKTGVMSYZQH-UHFFFAOYSA-N 0 0 377.787 5.651 50 5 GKBARN Cc1cccc(NC2=C[C@H](c3cccc([N+](=O)[O-])c3)N(c3cccc(C)c3)C2=O)c1 ZINC000100296973 570350233 /nfs/dbraw/zinc/35/02/33/570350233.db2.gz WKGWUFWLNMEMJE-HSZRJFAPSA-N 0 0 399.450 5.296 50 5 GKBARN O=[N+]([O-])c1cccc([C@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 ZINC000004899009 570358624 /nfs/dbraw/zinc/35/86/24/570358624.db2.gz SYLCDKGPBDWDOE-WHFLEXSXSA-N 0 0 399.450 5.989 50 5 GKBARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc([N+](=O)[O-])c3)C12 ZINC000100415246 570359600 /nfs/dbraw/zinc/35/96/00/570359600.db2.gz ZTQYNTGVQCHUOU-JOCHJYFZSA-N 0 0 386.432 5.845 50 5 GKBARN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(Br)[N+](=O)[O-] ZINC000257348873 570374626 /nfs/dbraw/zinc/37/46/26/570374626.db2.gz JONDYXQWDHVHOG-OHNZXXHYSA-N 0 0 384.358 5.787 50 5 GKBARN Cc1ccc2c3c(cnc2c1)c(-c1ccccc1)nn3-c1cccc([N+](=O)[O-])c1 ZINC000004969942 570385054 /nfs/dbraw/zinc/38/50/54/570385054.db2.gz MAXHVCJJLDFASO-UHFFFAOYSA-N 0 0 380.407 5.457 50 5 GKBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Cl)c(Cl)c2)c2ncccc12 ZINC000004981050 570389349 /nfs/dbraw/zinc/38/93/49/570389349.db2.gz DMPDZZNDYXQQOV-UHFFFAOYSA-N 0 0 379.159 5.102 50 5 GKBARN Cc1c2cc(C)ccc2oc1C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004993827 570391349 /nfs/dbraw/zinc/39/13/49/570391349.db2.gz GJTMEFQGPHLKKW-UHFFFAOYSA-N 0 0 378.306 5.229 50 5 GKBARN CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000005033188 570401722 /nfs/dbraw/zinc/40/17/22/570401722.db2.gz AIBPLTNEIROPIG-UHFFFAOYSA-N 0 0 384.819 5.631 50 5 GKBARN Cc1oc(-c2cccc([N+](=O)[O-])c2)cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000005033371 570401973 /nfs/dbraw/zinc/40/19/73/570401973.db2.gz GIWBGBQCSPRUFH-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN COc1cc2c(cc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)oc1ccccc12 ZINC000033712582 570403939 /nfs/dbraw/zinc/40/39/39/570403939.db2.gz UGCPOIORYMWYQW-KTKRTIGZSA-N 0 0 388.379 5.155 50 5 GKBARN C[C@@H](Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccccc1 ZINC000005050444 570404650 /nfs/dbraw/zinc/40/46/50/570404650.db2.gz VYIFESRVBXNGAH-CQSZACIVSA-N 0 0 395.846 5.674 50 5 GKBARN CCOP(=O)(OCC)[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000005128397 570422137 /nfs/dbraw/zinc/42/21/37/570422137.db2.gz MXVAWSJYPGJSHV-KRWDZBQOSA-N 0 0 398.783 5.625 50 5 GKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000000841489 570422145 /nfs/dbraw/zinc/42/21/45/570422145.db2.gz ZQZFQTIXUPXETI-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=C(CSc1ccsc1[N+](=O)[O-])Nc1cc(C(F)(F)F)ccc1Cl ZINC000005136210 570424375 /nfs/dbraw/zinc/42/43/75/570424375.db2.gz CAWRCEKAGORPMB-UHFFFAOYSA-N 0 0 396.799 5.059 50 5 GKBARN O=C(COC(=O)c1c2ccccc2cc2ccccc21)NC1CCCCCCC1 ZINC000006476624 570446123 /nfs/dbraw/zinc/44/61/23/570446123.db2.gz PACBKFWXETZWQR-UHFFFAOYSA-N 0 0 389.495 5.379 50 5 GKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006720323 570489881 /nfs/dbraw/zinc/48/98/81/570489881.db2.gz XYIMMWNLZWLOQX-UHFFFAOYSA-N 0 0 390.870 5.064 50 5 GKBARN Cc1ccc(NC(=O)CCCn2c3ccccc3c(=O)c3cc(C)ccc32)c(C)c1 ZINC000006720386 570490156 /nfs/dbraw/zinc/49/01/56/570490156.db2.gz MCTWLVSNGVSMBN-UHFFFAOYSA-N 0 0 398.506 5.499 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005197445 570500047 /nfs/dbraw/zinc/50/00/47/570500047.db2.gz AWBMGMXWODBWEK-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN CC(C)(C)c1ccc(OCCn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000002668688 570504568 /nfs/dbraw/zinc/50/45/68/570504568.db2.gz DPIPRQQQYQZHAJ-UHFFFAOYSA-N 0 0 395.506 6.114 50 5 GKBARN COc1cc([N+](=O)[O-])c(Cl)cc1N(Cc1ccccc1)Cc1ccccc1 ZINC000005210292 570504741 /nfs/dbraw/zinc/50/47/41/570504741.db2.gz VYJJJJKRYNUZQD-UHFFFAOYSA-N 0 0 382.847 5.464 50 5 GKBARN Cc1ccc(/C=C\c2cc3c(ccc4ccc5ccccc5c43)c3ccccc23)cc1 ZINC000008383997 570530572 /nfs/dbraw/zinc/53/05/72/570530572.db2.gz DRTVVTBRQGCBDA-PFONDFGASA-N 0 0 394.517 8.778 50 5 GKBARN Cc1ccc2ccccc2c1COc1cc(O)c2c(c1)oc1c(C)cccc1c2=O ZINC000005270974 570547060 /nfs/dbraw/zinc/54/70/60/570547060.db2.gz GDIPTHLRWKHDCP-UHFFFAOYSA-N 0 0 396.442 6.001 50 5 GKBARN Cc1ccc(C)c(NC(=O)CCCn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000006720467 570548619 /nfs/dbraw/zinc/54/86/19/570548619.db2.gz YYRVDDVUZGESKO-UHFFFAOYSA-N 0 0 384.479 5.190 50 5 GKBARN CCCCCCNC(=O)C[C@@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000006739543 570561717 /nfs/dbraw/zinc/56/17/17/570561717.db2.gz CYGYSYUNPHXPHJ-HXUWFJFHSA-N 0 0 393.487 5.295 50 5 GKBARN Cc1cnc(NC(=O)c2cc3ccccc3c3cccnc23)c(Br)c1 ZINC000225508516 570581471 /nfs/dbraw/zinc/58/14/71/570581471.db2.gz LLCKRPQMYGCXEV-UHFFFAOYSA-N 0 0 392.256 5.106 50 5 GKBARN CCn1c2ccccc2c(=O)c2c3nc4ccccc4n3c(C3CCCCC3)nc21 ZINC000006804510 570608401 /nfs/dbraw/zinc/60/84/01/570608401.db2.gz OEVOFGPLPDZCAG-UHFFFAOYSA-N 0 0 396.494 5.418 50 5 GKBARN Cc1cc(C)c(C)c(S[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1C ZINC000005506451 570616144 /nfs/dbraw/zinc/61/61/44/570616144.db2.gz PSOFBQXOLRALDM-OAHLLOKOSA-N 0 0 383.473 5.732 50 5 GKBARN O=c1c2cc([N+](=O)[O-])ccc2sc2nc(-c3ccccc3)c(-c3ccccc3)n21 ZINC000005532039 570627367 /nfs/dbraw/zinc/62/73/67/570627367.db2.gz PTHUFDGXVOXFBS-UHFFFAOYSA-N 0 0 399.431 5.151 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc2c(Br)cccc12 ZINC000005540835 570629782 /nfs/dbraw/zinc/62/97/82/570629782.db2.gz LYXKAJQKOIWHPD-UHFFFAOYSA-N 0 0 385.217 5.071 50 5 GKBARN CC(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)nc(SCc2ccccc2)n1 ZINC000036349591 570633508 /nfs/dbraw/zinc/63/35/08/570633508.db2.gz HJHGLXMIIQRWRG-UHFFFAOYSA-N 0 0 381.457 5.593 50 5 GKBARN CCc1cc(Oc2ccc(C)cc2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350231 570633681 /nfs/dbraw/zinc/63/36/81/570633681.db2.gz MTUBOAAGPFUWNG-UHFFFAOYSA-N 0 0 381.457 5.340 50 5 GKBARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@]2(Br)[N+](=O)[O-] ZINC000118935593 570656641 /nfs/dbraw/zinc/65/66/41/570656641.db2.gz JONDYXQWDHVHOG-DLEIETQISA-N 0 0 384.358 5.787 50 5 GKBARN COc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(C)c2[N+](=O)[O-])cc1 ZINC000004619116 570666689 /nfs/dbraw/zinc/66/66/89/570666689.db2.gz DQVUWXVNGZRZGE-UHFFFAOYSA-N 0 0 399.838 5.151 50 5 GKBARN Cc1ccc(Nc2ncc(-c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)s2)cc1 ZINC000004618738 570675426 /nfs/dbraw/zinc/67/54/26/570675426.db2.gz MQOVHILMNVIQMA-UHFFFAOYSA-N 0 0 377.425 6.030 50 5 GKBARN CCCCCCN(CCCCCC)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004628477 570684700 /nfs/dbraw/zinc/68/47/00/570684700.db2.gz NXFHYBXAQGCVSN-UHFFFAOYSA-N 0 0 379.457 5.106 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1sc2cc(OC(F)F)ccc2c1Cl ZINC000006926416 570707792 /nfs/dbraw/zinc/70/77/92/570707792.db2.gz HSGPVXYMHXWVTQ-UHFFFAOYSA-N 0 0 398.774 5.317 50 5 GKBARN C[C@]12CC[C@@H]3c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O ZINC000004370434 570716996 /nfs/dbraw/zinc/71/69/96/570716996.db2.gz XZTBAORMDUNJQT-DFWAIWNTSA-N 0 0 393.483 5.604 50 5 GKBARN Cc1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2cccc(Cl)c2n1 ZINC000001040658 570746746 /nfs/dbraw/zinc/74/67/46/570746746.db2.gz KBYQXHUOCBVHKC-UHFFFAOYSA-N 0 0 382.725 5.916 50 5 GKBARN O=C1c2ccccc2N[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc2ccccc2c1 ZINC000001022963 570746830 /nfs/dbraw/zinc/74/68/30/570746830.db2.gz KHWTYLLQWZFVRO-HSZRJFAPSA-N 0 0 395.418 5.519 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc1 ZINC000001043896 570748222 /nfs/dbraw/zinc/74/82/22/570748222.db2.gz METQHUQODPPTSW-NRFANRHFSA-N 0 0 376.437 5.658 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(C2SCCS2)cc1 ZINC000001047294 570748291 /nfs/dbraw/zinc/74/82/91/570748291.db2.gz LLEASZXDQVLNIJ-UHFFFAOYSA-N 0 0 387.404 5.885 50 5 GKBARN c1ccc(-c2nc3sc4nc5ccccc5nc4n3c2-c2ccccc2)cc1 ZINC000013284525 570752458 /nfs/dbraw/zinc/75/24/58/570752458.db2.gz GEQUOYHEAKVSOB-UHFFFAOYSA-N 0 0 378.460 5.826 50 5 GKBARN COc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000001106169 570753538 /nfs/dbraw/zinc/75/35/38/570753538.db2.gz QYZCYRJQARCYOY-UHFFFAOYSA-N 0 0 380.425 5.007 50 5 GKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000001111799 570753842 /nfs/dbraw/zinc/75/38/42/570753842.db2.gz UWLGVTYQJPWADM-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN Cc1ccc(C)c(NC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000001117502 570753896 /nfs/dbraw/zinc/75/38/96/570753896.db2.gz AWXGZPIIKJMIQX-UHFFFAOYSA-N 0 0 378.453 5.615 50 5 GKBARN Cc1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2[N+](=O)[O-])c1 ZINC000001117874 570753987 /nfs/dbraw/zinc/75/39/87/570753987.db2.gz FDLAXOCAXVHXQD-UHFFFAOYSA-N 0 0 378.453 5.615 50 5 GKBARN Cc1cccc(OCC(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001145969 570755304 /nfs/dbraw/zinc/75/53/04/570755304.db2.gz BHWNUGFFDSXXGX-UHFFFAOYSA-N 0 0 394.452 5.072 50 5 GKBARN CCc1ccccc1NC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001141291 570755324 /nfs/dbraw/zinc/75/53/24/570755324.db2.gz UVDSJAYOZLWJQD-UHFFFAOYSA-N 0 0 396.830 5.855 50 5 GKBARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1[N+](=O)[O-] ZINC000001131949 570756542 /nfs/dbraw/zinc/75/65/42/570756542.db2.gz VZTYBMBWIJYKEE-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN Cc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccc(F)cc1 ZINC000001135716 570756560 /nfs/dbraw/zinc/75/65/60/570756560.db2.gz WCHHBJAWLOAJQT-UHFFFAOYSA-N 0 0 391.811 5.072 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nc(=S)c3c(n2Cc2ccccc2)CCCC3)cc1 ZINC000001153862 570757207 /nfs/dbraw/zinc/75/72/07/570757207.db2.gz DUYCCSGNSGJQSS-UHFFFAOYSA-N 0 0 377.469 5.115 50 5 GKBARN Cc1ccccc1-n1c2c(c(=S)nc1-c1cccc([N+](=O)[O-])c1)CCCC2 ZINC000001157429 570757751 /nfs/dbraw/zinc/75/77/51/570757751.db2.gz CEJCRAFNSUGBNI-UHFFFAOYSA-N 0 0 377.469 5.364 50 5 GKBARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001163895 570758219 /nfs/dbraw/zinc/75/82/19/570758219.db2.gz LQKAILUSEMFKGS-UHFFFAOYSA-N 0 0 385.379 5.188 50 5 GKBARN Cc1ccccc1N(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1 ZINC000007061867 570781818 /nfs/dbraw/zinc/78/18/18/570781818.db2.gz ALCUYQJTPLLODE-UHFFFAOYSA-N 0 0 389.436 5.491 50 5 GKBARN CC(=O)Nc1ccc(Sc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000015164618 570786516 /nfs/dbraw/zinc/78/65/16/570786516.db2.gz YBWLOQRWPIHGSG-UHFFFAOYSA-N 0 0 390.770 5.377 50 5 GKBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000001176774 570787361 /nfs/dbraw/zinc/78/73/61/570787361.db2.gz XWJYNPMGIMCWIR-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)oc2c1 ZINC000001172883 570787516 /nfs/dbraw/zinc/78/75/16/570787516.db2.gz KAWSPZIXEBGVPN-WUXMJOGZSA-N 0 0 399.406 5.363 50 5 GKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000001180383 570790890 /nfs/dbraw/zinc/79/08/90/570790890.db2.gz KTSHTAFVNYNKCZ-VAWYXSNFSA-N 0 0 385.379 5.055 50 5 GKBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(Oc2ccccc2)c1 ZINC000001196658 570792249 /nfs/dbraw/zinc/79/22/49/570792249.db2.gz JZSPQQODZVBOLO-UHFFFAOYSA-N 0 0 391.408 5.249 50 5 GKBARN COc1cccc(C(=O)Nc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000001199789 570792467 /nfs/dbraw/zinc/79/24/67/570792467.db2.gz UKBTVXKLGWXMIG-UHFFFAOYSA-N 0 0 380.425 5.007 50 5 GKBARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccccc3)nc2c1 ZINC000001208505 570793513 /nfs/dbraw/zinc/79/35/13/570793513.db2.gz HOHGNXWBLMJMNO-FMIVXFBMSA-N 0 0 385.379 5.055 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2Nc3ccccc3Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000005827212 570795236 /nfs/dbraw/zinc/79/52/36/570795236.db2.gz YSEONLFNRBXEKN-FQEVSTJZSA-N 0 0 383.411 5.243 50 5 GKBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000005876741 570799869 /nfs/dbraw/zinc/79/98/69/570799869.db2.gz LFRQAILMUZYDQM-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3ccccc3c2[N+](=O)[O-])cc1 ZINC000004659228 570805649 /nfs/dbraw/zinc/80/56/49/570805649.db2.gz JUZMXMGLYPBTBJ-INIZCTEOSA-N 0 0 376.456 5.689 50 5 GKBARN Cc1cc(C)cc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 ZINC000004659477 570809750 /nfs/dbraw/zinc/80/97/50/570809750.db2.gz NYAAVQUHJRHDRB-ZHACJKMWSA-N 0 0 397.434 5.081 50 5 GKBARN O=[N+]([O-])c1cccc(CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 ZINC000032778655 570811651 /nfs/dbraw/zinc/81/16/51/570811651.db2.gz LDXSUBVGZWCSSC-UHFFFAOYSA-N 0 0 395.362 5.097 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(NCc3ccc(F)cc3)c([N+](=O)[O-])c2)c(C)c1 ZINC000004668213 570814562 /nfs/dbraw/zinc/81/45/62/570814562.db2.gz MILQXBXAGPNSPV-UHFFFAOYSA-N 0 0 393.418 5.215 50 5 GKBARN C[C@H](NC(=O)N(C)[C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1 ZINC000032795004 570815361 /nfs/dbraw/zinc/81/53/61/570815361.db2.gz YDVFPUDLTBIWAD-STQMWFEESA-N 0 0 395.381 5.077 50 5 GKBARN O=[N+]([O-])c1ccc2c(c1)Oc1c(Br)cc(Br)cc1C=C2 ZINC000004686848 570831043 /nfs/dbraw/zinc/83/10/43/570831043.db2.gz XSQDOTBOTICNCY-UHFFFAOYSA-N 0 0 397.022 5.396 50 5 GKBARN Cc1cc2c(cc1C)N[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000102507326 570850145 /nfs/dbraw/zinc/85/01/45/570850145.db2.gz JYQKEQLTJNEXCM-JOCHJYFZSA-N 0 0 391.471 6.083 50 5 GKBARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004545549 570852913 /nfs/dbraw/zinc/85/29/13/570852913.db2.gz PACITYLYJIACQT-KPZWWZAWSA-N 0 0 399.516 5.626 50 5 GKBARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 ZINC000004545690 570856206 /nfs/dbraw/zinc/85/62/06/570856206.db2.gz UTHKUZZXJNATCR-ACJLOTCBSA-N 0 0 399.516 5.626 50 5 GKBARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004545550 570856857 /nfs/dbraw/zinc/85/68/57/570856857.db2.gz NGGISFSTYUQVBW-ACJLOTCBSA-N 0 0 399.516 5.626 50 5 GKBARN C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004719693 570857073 /nfs/dbraw/zinc/85/70/73/570857073.db2.gz MCCDZVFPRDLZRM-KKSFZXQISA-N 0 0 387.439 5.187 50 5 GKBARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])o1 ZINC000102690642 570857218 /nfs/dbraw/zinc/85/72/18/570857218.db2.gz MFXZFJDVTDAMJA-FQEVSTJZSA-N 0 0 395.415 5.000 50 5 GKBARN CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])o1 ZINC000102690644 570857300 /nfs/dbraw/zinc/85/73/00/570857300.db2.gz MFXZFJDVTDAMJA-HXUWFJFHSA-N 0 0 395.415 5.000 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Oc1ccc(-c2nnco2)cc1 ZINC000012622735 570899867 /nfs/dbraw/zinc/89/98/67/570899867.db2.gz JQPUIQLKDZTDLB-UHFFFAOYSA-N 0 0 385.685 5.109 50 5 GKBARN O=C1S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1c1ccccc1 ZINC000004579287 570908802 /nfs/dbraw/zinc/90/88/02/570908802.db2.gz KKNJRNLGIOHFME-PXLXIMEGSA-N 0 0 381.456 6.234 50 5 GKBARN Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2cccc(C)c2)cc1 ZINC000016956144 570919629 /nfs/dbraw/zinc/91/96/29/570919629.db2.gz QALFJXQQDSFPQI-UHFFFAOYSA-N 0 0 387.486 6.715 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3cccc(Cl)c3)n2)cc1 ZINC000016976719 570920898 /nfs/dbraw/zinc/92/08/98/570920898.db2.gz FEBPHDYRVPUBKZ-UHFFFAOYSA-N 0 0 376.803 5.602 50 5 GKBARN Cc1ccc(C)c(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)c1 ZINC000004072643 570929901 /nfs/dbraw/zinc/92/99/01/570929901.db2.gz LGPIIUVIYCCLKP-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN C[C@H](Sc1nnc(-c2cccc3ccccc32)o1)c1cccc([N+](=O)[O-])c1 ZINC000170638499 570939660 /nfs/dbraw/zinc/93/96/60/570939660.db2.gz PGLXWACHQNJURB-ZDUSSCGKSA-N 0 0 377.425 5.651 50 5 GKBARN Cc1nn2c3cc(Sc4ccc(Cl)cc4)ccc3nc2c2ccccc12 ZINC000004740972 570955445 /nfs/dbraw/zinc/95/54/45/570955445.db2.gz KVAVWBCTCGTJDJ-UHFFFAOYSA-N 0 0 375.884 6.149 50 5 GKBARN Cc1ccc([C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000004134620 570961630 /nfs/dbraw/zinc/96/16/30/570961630.db2.gz HWUKNYJOVZFHQH-FQEVSTJZSA-N 0 0 390.870 6.205 50 5 GKBARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000004134607 570961824 /nfs/dbraw/zinc/96/18/24/570961824.db2.gz BJXINTHIGZVAEG-UHFFFAOYSA-N 0 0 395.462 6.354 50 5 GKBARN O=C(Sc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000002147746 570967642 /nfs/dbraw/zinc/96/76/42/570967642.db2.gz YSGJPBIJOPBODE-UHFFFAOYSA-N 0 0 385.828 5.973 50 5 GKBARN Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000004776739 570975273 /nfs/dbraw/zinc/97/52/73/570975273.db2.gz LINLSCHUZRXROA-UHFFFAOYSA-N 0 0 375.428 5.138 50 5 GKBARN O=C(Nc1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004785150 570986065 /nfs/dbraw/zinc/98/60/65/570986065.db2.gz LNSGQIHUGGHQSR-UHFFFAOYSA-N 0 0 394.258 5.144 50 5 GKBARN Cc1cc(Br)c(OC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1C ZINC000004793226 570991634 /nfs/dbraw/zinc/99/16/34/570991634.db2.gz VEMMFQPYSALWOT-UHFFFAOYSA-N 0 0 399.628 5.238 50 5 GKBARN CCCCOc1cc([N+](=O)[O-])c(OCCCC)cc1NC(=O)c1ccccc1 ZINC000004792057 570991642 /nfs/dbraw/zinc/99/16/42/570991642.db2.gz RZQSJWHQNGCRIX-UHFFFAOYSA-N 0 0 386.448 5.205 50 5 GKBARN O=[N+]([O-])c1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)c1 ZINC000007653661 571011501 /nfs/dbraw/zinc/01/15/01/571011501.db2.gz DMGNPTMOSFUCSV-UHFFFAOYSA-N 0 0 391.427 5.636 50 5 GKBARN Cc1ccc([C@@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])cc1C ZINC000037522475 571024085 /nfs/dbraw/zinc/02/40/85/571024085.db2.gz KEMIGDSTTPKJSJ-HSZRJFAPSA-N 0 0 375.472 5.008 50 5 GKBARN O=[N+]([O-])c1ccc(-c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)o2)cc1 ZINC000001440372 571045458 /nfs/dbraw/zinc/04/54/58/571045458.db2.gz QNTFZYDDGXVCTB-UHFFFAOYSA-N 0 0 397.843 6.375 50 5 GKBARN COc1cccc(C(=O)CSc2nc3ccccc3c3nc4ccccc4n32)c1 ZINC000016399412 571046892 /nfs/dbraw/zinc/04/68/92/571046892.db2.gz CAOKHYYQAMADFE-UHFFFAOYSA-N 0 0 399.475 5.019 50 5 GKBARN O=C(Nc1ccc2sc3ccccc3c(=O)c2c1)c1cccc(C(F)(F)F)c1 ZINC000006243716 230844484 /nfs/dbraw/zinc/84/44/84/230844484.db2.gz DWZWCOUKLCEDDA-UHFFFAOYSA-N 0 0 399.393 5.686 50 5 GKBARN Cn1ncc2c1[nH]c1c(oc3cc(O)cc(=O)c31)c2-c1ccc(-c2ccccc2)o1 ZINC000409415593 231204527 /nfs/dbraw/zinc/20/45/27/231204527.db2.gz RENMFYLKMMYAHC-UHFFFAOYSA-N 0 0 397.390 5.206 50 5 biogenic GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000017078245 210203274 /nfs/dbraw/zinc/20/32/74/210203274.db2.gz WGGBLUPFEDFKDA-UHFFFAOYSA-N 0 0 383.234 5.625 50 5 GKBARN Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000016282696 210189411 /nfs/dbraw/zinc/18/94/11/210189411.db2.gz IRLKRWWTZNZXJR-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN Cc1ccc([C@H](C)Nc2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833921 210172554 /nfs/dbraw/zinc/17/25/54/210172554.db2.gz KPNFWAFCKYSLNL-AWEZNQCLSA-N 0 0 390.399 5.386 50 5 GKBARN Cc1ccc(C(=O)CCC(=O)OCc2nc3ccccc3c3ccccc23)s1 ZINC000006607757 209661488 /nfs/dbraw/zinc/66/14/88/209661488.db2.gz SZFWMFKDZVWJEO-UHFFFAOYSA-N 0 0 389.476 5.464 50 5 GKBARN O=[N+]([O-])c1ccc(-c2csc3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1 ZINC000005313470 209586615 /nfs/dbraw/zinc/58/66/15/209586615.db2.gz NHEJWGZLYLXVKP-UHFFFAOYSA-N 0 0 397.459 6.305 50 5 GKBARN Cc1noc(/C=C\c2cn(Cc3ccccc3Cl)c3ccccc23)c1[N+](=O)[O-] ZINC000004809899 209528550 /nfs/dbraw/zinc/52/85/50/209528550.db2.gz XTHQEZXYMGHFFB-KHPPLWFESA-N 0 0 393.830 5.718 50 5 GKBARN Cc1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000004323818 209478300 /nfs/dbraw/zinc/47/83/00/209478300.db2.gz DXVQPVBZLUJBHM-UHFFFAOYSA-N 0 0 398.871 5.960 50 5 GKBARN C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c3nc4ccccc4n3c(=S)[nH]c2c1 ZINC000002970363 209403585 /nfs/dbraw/zinc/40/35/85/209403585.db2.gz HWYRJUBQQATWJY-BBRMVZONSA-N 0 0 390.512 5.007 50 5 GKBARN COc1ccc([C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)Nc2ccccc2)cc1 ZINC000002841979 209389429 /nfs/dbraw/zinc/38/94/29/209389429.db2.gz VLNGHYVBEJCXGN-NRFANRHFSA-N 0 0 376.412 5.030 50 5 GKBARN O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 ZINC000002716177 209377967 /nfs/dbraw/zinc/37/79/67/209377967.db2.gz IGLNDCBOCCLXRD-UHFFFAOYSA-N 0 0 391.426 5.296 50 5 GKBARN COc1ccc(-c2cc(-c3ccccc3)c3ccc4ncnc5ccc2c3c45)cc1 ZINC000002305634 209356412 /nfs/dbraw/zinc/35/64/12/209356412.db2.gz SQOVEWGERCFWTA-UHFFFAOYSA-N 0 0 386.454 6.717 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(Cl)cc1Cl ZINC000002162631 209348911 /nfs/dbraw/zinc/34/89/11/209348911.db2.gz RKBGIUBJNWWBTO-UHFFFAOYSA-N 0 0 397.092 5.621 50 5 GKBARN COc1cc([N+](=O)[O-])cc2c1O[C@]1(C=Cc3c(ccc4ccccc43)O1)C(C)=C2 ZINC000001511618 209332617 /nfs/dbraw/zinc/33/26/17/209332617.db2.gz WSSNRGCGDFEQCZ-HSZRJFAPSA-N 0 0 387.391 5.354 50 5 GKBARN Cc1ccccc1Nc1c2ccccc2c(Nc2ccccc2C)c2ccccc21 ZINC000002066688 209344935 /nfs/dbraw/zinc/34/49/35/209344935.db2.gz XDGHPLDUZQGPIB-UHFFFAOYSA-N 0 0 388.514 8.097 50 5 GKBARN CC(C)(c1ccccc1)c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002070137 209344656 /nfs/dbraw/zinc/34/46/56/209344656.db2.gz ZNFDKXHOMVDYPL-UHFFFAOYSA-N 0 0 395.842 5.793 50 5 GKBARN Cc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)ccc1[N+](=O)[O-] ZINC000001863495 209341076 /nfs/dbraw/zinc/34/10/76/209341076.db2.gz PKWYHRPAIPSEPM-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc2ccccc2c1 ZINC000001308051 209319458 /nfs/dbraw/zinc/31/94/58/209319458.db2.gz CPBXJAMOLQHKSE-UHFFFAOYSA-N 0 0 393.402 6.151 50 5 GKBARN O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000001507952 209331224 /nfs/dbraw/zinc/33/12/24/209331224.db2.gz PUGXXJPOQPZRFK-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN Cc1ccc(C)c(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c1 ZINC000001510217 209331245 /nfs/dbraw/zinc/33/12/45/209331245.db2.gz LCACEMWPCJSYNJ-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1[N+](=O)[O-] ZINC000001216694 209314551 /nfs/dbraw/zinc/31/45/51/209314551.db2.gz UPZLBNDGFDVYAQ-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001167143 209309281 /nfs/dbraw/zinc/30/92/81/209309281.db2.gz OVYWWVMJZSDKFY-VIFPVBQESA-N 0 0 380.187 5.092 50 5 GKBARN Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)c(Cl)cc12 ZINC000001153395 209307528 /nfs/dbraw/zinc/30/75/28/209307528.db2.gz NDLHOYFCWSTYOT-UHFFFAOYSA-N 0 0 399.708 5.474 50 5 GKBARN O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001151324 209306396 /nfs/dbraw/zinc/30/63/96/209306396.db2.gz JEQWSEHDZDDIEW-UHFFFAOYSA-N 0 0 384.391 5.793 50 5 GKBARN CCOc1ccccc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000001137885 209304496 /nfs/dbraw/zinc/30/44/96/209304496.db2.gz BDXWRXICPPFQDT-CAPFRKAQSA-N 0 0 388.423 5.173 50 5 GKBARN Cc1ccccc1OCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001122298 209303863 /nfs/dbraw/zinc/30/38/63/209303863.db2.gz LCZWXAHLKABUIR-UHFFFAOYSA-N 0 0 394.452 5.072 50 5 GKBARN O=C(OCc1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1)c1cccs1 ZINC000001141071 209305649 /nfs/dbraw/zinc/30/56/49/209305649.db2.gz LWDSIZRNHKXZSC-UHFFFAOYSA-N 0 0 389.816 5.459 50 5 GKBARN CCC1(CC)O[C@H](c2cccn2-c2ccc([N+](=O)[O-])cc2)Nc2ccccc21 ZINC000001089652 209299472 /nfs/dbraw/zinc/29/94/72/209299472.db2.gz REWALISLSIOGMX-OAQYLSRUSA-N 0 0 377.444 5.542 50 5 GKBARN Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001045088 209292776 /nfs/dbraw/zinc/29/27/76/209292776.db2.gz OCVFYWNXMPQBJZ-OAQYLSRUSA-N 0 0 378.453 5.283 50 5 GKBARN CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc([N+](=O)[O-])c1 ZINC000000944215 209282235 /nfs/dbraw/zinc/28/22/35/209282235.db2.gz PKNRMJKDIKSLIL-UHFFFAOYSA-N 0 0 385.807 5.025 50 5 GKBARN Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3C)nc2c1 ZINC000000839016 209270097 /nfs/dbraw/zinc/27/00/97/209270097.db2.gz JYBNQKSRFLBJLB-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN COc1ccc(-c2nc(-c3cccc(OC)c3)nc3ccc4ccccc4c32)cc1 ZINC000000754945 209264117 /nfs/dbraw/zinc/26/41/17/209264117.db2.gz VFQFQBWZXDAJHL-UHFFFAOYSA-N 0 0 392.458 6.134 50 5 GKBARN O=C(Nc1ccc(Cl)cc1F)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000667680 209257088 /nfs/dbraw/zinc/25/70/88/209257088.db2.gz AVBPEDPXAVEKBX-UHFFFAOYSA-N 0 0 385.203 5.508 50 5 GKBARN O=C(/C=C/c1ccccc1Cl)Oc1ccc2c(c1)oc(=O)c1ccccc12 ZINC000001776115 212256112 /nfs/dbraw/zinc/25/61/12/212256112.db2.gz YWZFQCLYAIUKOD-FMIVXFBMSA-N 0 0 376.795 5.218 50 5 GKBARN Cc1cc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)oc2c(C)c1 ZINC000001505818 212247249 /nfs/dbraw/zinc/24/72/49/212247249.db2.gz HIMPFGNSUQKCPI-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)cc1 ZINC000001312683 212235998 /nfs/dbraw/zinc/23/59/98/212235998.db2.gz HPLZTWGIYZGDOM-UHFFFAOYSA-N 0 0 398.418 5.475 50 5 GKBARN Cc1c(NC(=O)c2ccccc2[N+](=O)[O-])cccc1-c1nc2ccccc2s1 ZINC000001204011 212228718 /nfs/dbraw/zinc/22/87/18/212228718.db2.gz QGNRMPNWICSGJV-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2cnc3ccccc3c2)[nH]1 ZINC000001195415 212227831 /nfs/dbraw/zinc/22/78/31/212227831.db2.gz JPRUNGLCNDTKAJ-UHFFFAOYSA-N 0 0 392.418 5.867 50 5 GKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000001147258 212223695 /nfs/dbraw/zinc/22/36/95/212223695.db2.gz WBQDKUJFVVZACT-UHFFFAOYSA-N 0 0 398.871 5.793 50 5 GKBARN COc1ccccc1OCc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001140920 212222119 /nfs/dbraw/zinc/22/21/19/212222119.db2.gz QVQFGTPLGYAMNP-UHFFFAOYSA-N 0 0 385.803 5.628 50 5 GKBARN COc1c(C(=O)Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)ccc2ccccc21 ZINC000001140742 212221685 /nfs/dbraw/zinc/22/16/85/212221685.db2.gz XQKYZVOTQHDZEU-UHFFFAOYSA-N 0 0 398.418 5.676 50 5 GKBARN Cc1cc(C)c(NC(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000001042603 212210063 /nfs/dbraw/zinc/21/00/63/212210063.db2.gz KBXMNJFWCCEZKH-UHFFFAOYSA-N 0 0 398.406 5.270 50 5 GKBARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001051956 212210699 /nfs/dbraw/zinc/21/06/99/212210699.db2.gz SZIJZDDUISMXDH-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000000862285 212190000 /nfs/dbraw/zinc/19/00/00/212190000.db2.gz GKCGZJCBBXAEKE-HXUWFJFHSA-N 0 0 394.452 5.076 50 5 GKBARN Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000000859867 203860415 /nfs/dbraw/zinc/86/04/15/203860415.db2.gz ZAZIUXQWHGVLGV-UHFFFAOYSA-N 0 0 397.434 5.679 50 5 GKBARN O=C(Nc1ccc(F)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000001127732 203887147 /nfs/dbraw/zinc/88/71/47/203887147.db2.gz RKGJKTXZTMHMEM-UHFFFAOYSA-N 0 0 386.766 5.432 50 5 GKBARN Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2c3ccccc3c(=O)oc12 ZINC000001797667 203920609 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O=C(CSc1nc2ccccc2s1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000004821108 206558686 /nfs/dbraw/zinc/55/86/86/206558686.db2.gz VHWNAHNWSSIAFW-UHFFFAOYSA-N 0 0 396.449 5.440 50 5 GKBARN Cc1cccc(NC2=C[C@@H](c3cccc([N+](=O)[O-])c3)N(c3cccc(C)c3)C2=O)c1 ZINC000100296976 211387203 /nfs/dbraw/zinc/38/72/03/211387203.db2.gz WKGWUFWLNMEMJE-QHCPKHFHSA-N 0 0 399.450 5.296 50 5 GKBARN CC(C)Cc1c2oc3cc(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCCCC1 ZINC000095480337 211248109 /nfs/dbraw/zinc/24/81/09/211248109.db2.gz HVCIJNJQOXVLNN-UHFFFAOYSA-N 0 0 393.487 5.836 50 5 GKBARN O=c1c2ccc3sc4ccccc4c4ccc(c(=O)n1-c1ccc(O)cc1)c2c34 ZINC000095470778 211245277 /nfs/dbraw/zinc/24/52/77/211245277.db2.gz BQHAWRYUHJQHJD-UHFFFAOYSA-N 0 0 395.439 5.015 50 5 GKBARN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000089960810 211188425 /nfs/dbraw/zinc/18/84/25/211188425.db2.gz FHEPLSOOEILTID-OAQYLSRUSA-N 0 0 393.418 5.377 50 5 GKBARN Cc1nc(C)c([C@H](C)Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000070039822 211040603 /nfs/dbraw/zinc/04/06/03/211040603.db2.gz OHQXBKXTUDCFJW-ZETCQYMHSA-N 0 0 379.791 5.513 50 5 GKBARN OC(c1c2ccccc2cc2ccccc21)c1c2ccccc2cc2ccccc21 ZINC000003122120 211028154 /nfs/dbraw/zinc/02/81/54/211028154.db2.gz HUMHPRCPHCVCIZ-UHFFFAOYSA-N 0 0 384.478 7.381 50 5 GKBARN COc1ccc(-c2noc(-c3ccc(NC4CCCCC4)c([N+](=O)[O-])c3)n2)cc1 ZINC000008586887 206757075 /nfs/dbraw/zinc/75/70/75/206757075.db2.gz YMTOKQLEVNEFJM-UHFFFAOYSA-N 0 0 394.431 5.065 50 5 GKBARN O=C(Nc1cccc([N+](=O)[O-])c1)/C(=C/c1ccccc1Cl)c1ccccc1 ZINC000013842791 207002319 /nfs/dbraw/zinc/00/23/19/207002319.db2.gz RKMXWIWTUJRIDF-CPNJWEJPSA-N 0 0 378.815 5.428 50 5 GKBARN CC1(C)COC(CCCCC(=O)c2c3ccccc3cc3ccccc32)OC1 ZINC000043214508 210806982 /nfs/dbraw/zinc/80/69/82/210806982.db2.gz LPKOHNKSOYERCS-UHFFFAOYSA-N 0 0 376.496 6.135 50 5 GKBARN CCc1cc(Oc2ccc(F)cc2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350234 210720932 /nfs/dbraw/zinc/72/09/32/210720932.db2.gz MNRJAWGTARSXMX-UHFFFAOYSA-N 0 0 385.420 5.171 50 5 GKBARN Cc1nn(C2CCCCC2)c2c1[C@@H](c1cccc([N+](=O)[O-])c1)SCC(=O)N2 ZINC000017206125 207087402 /nfs/dbraw/zinc/08/74/02/207087402.db2.gz RAIAUIAHOPERDU-GOSISDBHSA-N 0 0 386.477 5.029 50 5 GKBARN COc1cccc2c3c(cnc12)c(-c1ccccc1)nn3-c1cccc([N+](=O)[O-])c1 ZINC000021017294 207224970 /nfs/dbraw/zinc/22/49/70/207224970.db2.gz DRPQZUHRKRRMBY-UHFFFAOYSA-N 0 0 396.406 5.158 50 5 GKBARN O=c1cc(CSc2ncnc3ccsc32)c2c(ccc3ccccc32)o1 ZINC000026955517 207321554 /nfs/dbraw/zinc/32/15/54/207321554.db2.gz VIUCTXXOHXKESO-UHFFFAOYSA-N 0 0 376.462 5.243 50 5 GKBARN CC(C)(C)c1ccc2c(Br)c3ccccc3c(Br)c2c1 ZINC000003075511 207312752 /nfs/dbraw/zinc/31/27/52/207312752.db2.gz BWFOVZDGMFZPFX-UHFFFAOYSA-N 0 0 392.134 6.816 50 5 GKBARN CC(C)(C)c1ccc(CN(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccn2)cc1 ZINC000027793979 207331756 /nfs/dbraw/zinc/33/17/56/207331756.db2.gz QGBAMJGOQDPFIY-UHFFFAOYSA-N 0 0 389.455 5.134 50 5 GKBARN CCCOc1ccc(-c2nc3ccc4ccccc4c3c3c2C[C@@H](C)CC3)cc1 ZINC000027570148 207327535 /nfs/dbraw/zinc/32/75/35/207327535.db2.gz KUUNAJBWRBXJDI-SFHVURJKSA-N 0 0 381.519 6.969 50 5 GKBARN C[C@H](Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000072038860 207969657 /nfs/dbraw/zinc/96/96/57/207969657.db2.gz USWAKGPLCSECKG-AWEZNQCLSA-N 0 0 395.846 5.674 50 5 GKBARN O=c1cc(COc2ccccc2Br)c2c(ccc3ccccc32)o1 ZINC000089873166 208111676 /nfs/dbraw/zinc/11/16/76/208111676.db2.gz WGRCHGAVNVMEAJ-UHFFFAOYSA-N 0 0 381.225 5.288 50 5 GKBARN Cc1noc(C[C@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000019872736 210303751 /nfs/dbraw/zinc/30/37/51/210303751.db2.gz MQPORBWGDDOKSJ-HNNXBMFYSA-N 0 0 384.819 5.144 50 5 GKBARN Nc1nc2c(sc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c2ccccc12 ZINC000019832375 210303399 /nfs/dbraw/zinc/30/33/99/210303399.db2.gz DCVIRCJVXPWECV-UHFFFAOYSA-N 0 0 395.409 6.266 50 5 GKBARN O=[N+]([O-])c1cccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)ccc21 ZINC000006085434 208677623 /nfs/dbraw/zinc/67/76/23/208677623.db2.gz JRCTULQFHOCPLT-FMIVXFBMSA-N 0 0 382.419 5.892 50 5 GKBARN O=C(Nc1ccc(F)c(F)c1)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-] ZINC000001401449 220495555 /nfs/dbraw/zinc/49/55/55/220495555.db2.gz HLUAXSOGDRRIGS-UHFFFAOYSA-N 0 0 394.330 5.118 50 5 GKBARN Cc1ccc(-n2c(-c3ccc([N+](=O)[O-])cc3)nc3nc4ccccc4nc32)c(C)c1 ZINC000002221156 220511624 /nfs/dbraw/zinc/51/16/24/220511624.db2.gz RTARSWLCEPGFKS-UHFFFAOYSA-N 0 0 395.422 5.161 50 5 GKBARN O=[N+]([O-])c1ccccc1Cc1nc2ccccc2nc1-c1ccc(Cl)cc1 ZINC000028294683 208946205 /nfs/dbraw/zinc/94/62/05/208946205.db2.gz RSBWMHGCJXAAES-UHFFFAOYSA-N 0 0 375.815 5.449 50 5 GKBARN CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000002442227 220535758 /nfs/dbraw/zinc/53/57/58/220535758.db2.gz RLHLQGSSSCZNFO-UHFFFAOYSA-N 0 0 396.516 5.463 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2cccs2)nc2ccccc21 ZINC000004902015 220785852 /nfs/dbraw/zinc/78/58/52/220785852.db2.gz KLDJEIAUBRBROH-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN CCc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 ZINC000005021070 220812817 /nfs/dbraw/zinc/81/28/17/220812817.db2.gz VMYCKPRBUBMJTN-UHFFFAOYSA-N 0 0 397.434 5.625 50 5 GKBARN O=C(Nc1oc2cc3ccccc3cc2c(=O)c1-c1ccccc1)c1cccs1 ZINC000005030937 220815661 /nfs/dbraw/zinc/81/56/61/220815661.db2.gz QCGBUWSFNMHXJC-UHFFFAOYSA-N 0 0 397.455 5.927 50 5 GKBARN COc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)c1 ZINC000005033185 220816091 /nfs/dbraw/zinc/81/60/91/220816091.db2.gz BHIPTTYGMPYLCD-UHFFFAOYSA-N 0 0 386.791 5.078 50 5 GKBARN Cc1ccccc1-c1nc2oc3ccccc3c(=O)c2c2nc3ccccc3n21 ZINC000005206683 220845212 /nfs/dbraw/zinc/84/52/12/220845212.db2.gz BKKMDQTZEMFJMW-UHFFFAOYSA-N 0 0 377.403 5.118 50 5 GKBARN Cc1sc2nc(-c3cccs3)nc(Oc3cccnc3[N+](=O)[O-])c2c1C ZINC000005638234 220889947 /nfs/dbraw/zinc/88/99/47/220889947.db2.gz HSLKJKVPVWKHDI-UHFFFAOYSA-N 0 0 384.442 5.132 50 5 GKBARN Cc1ccc(OCc2cc(=O)oc3ccc4ccccc4c23)c(Br)c1 ZINC000006549220 220940652 /nfs/dbraw/zinc/94/06/52/220940652.db2.gz KARINFDOOURGLW-UHFFFAOYSA-N 0 0 395.252 5.596 50 5 GKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(F)cc1)c1cccs1 ZINC000007782633 221011267 /nfs/dbraw/zinc/01/12/67/221011267.db2.gz OSJGFLBJWQEKKQ-LDADJPATSA-N 0 0 383.400 5.079 50 5 GKBARN CCOc1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc32)cc1 ZINC000009088036 221069916 /nfs/dbraw/zinc/06/99/16/221069916.db2.gz FQRSCIPPWKCPJT-UHFFFAOYSA-N 0 0 386.411 5.347 50 5 GKBARN Cc1nc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)ccc1Cl ZINC000008990893 221066689 /nfs/dbraw/zinc/06/66/89/221066689.db2.gz XZKFIVQPZWZBMW-UHFFFAOYSA-N 0 0 382.228 5.072 50 5 GKBARN CCn1c2ccccc2nc1SCc1cc(=O)oc2ccc3ccccc3c12 ZINC000012648548 221216920 /nfs/dbraw/zinc/21/69/20/221216920.db2.gz QFUIVQPIWMKHSD-UHFFFAOYSA-N 0 0 386.476 5.608 50 5 GKBARN O=[N+]([O-])c1c2cccnc2ccc1N1CCC(c2nc3ccccc3s2)CC1 ZINC000059121518 136155619 /nfs/dbraw/zinc/15/56/19/136155619.db2.gz LRJDMLVLTOEYBX-UHFFFAOYSA-N 0 0 390.468 5.137 50 5 GKBARN CC[C@@H](C)c1ccc(N2COc3ccc4c5ccccc5c(=O)oc4c3C2)cc1 ZINC000002114699 136193235 /nfs/dbraw/zinc/19/32/35/136193235.db2.gz GGPWXYKVQAMTHK-MRXNPFEDSA-N 0 0 385.463 5.816 50 5 biogenic GKBARN O=c1oc2c(ccc3c2CN(c2cccc(C(F)(F)F)c2)CO3)c2ccccc12 ZINC000002113319 136193251 /nfs/dbraw/zinc/19/32/51/136193251.db2.gz HRNBDGZCODWZQA-UHFFFAOYSA-N 0 0 397.352 5.322 50 5 biogenic GKBARN O=c1oc2c(ccc3c2CN(c2ccc(Cl)cc2Cl)CO3)c2ccccc12 ZINC000002125458 136193446 /nfs/dbraw/zinc/19/34/46/136193446.db2.gz HOWQPOAPLJEDPK-UHFFFAOYSA-N 0 0 398.245 5.610 50 5 biogenic GKBARN Cc1ccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000012533836 136200485 /nfs/dbraw/zinc/20/04/85/136200485.db2.gz SBPFLVIVDGZPNA-AWEZNQCLSA-N 0 0 387.867 5.045 50 5 GKBARN CCN(C(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C ZINC000058638324 222054546 /nfs/dbraw/zinc/05/45/46/222054546.db2.gz ZNJORHWFSJSSOK-UHFFFAOYSA-N 0 0 398.406 5.067 50 5 GKBARN O=[N+]([O-])c1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 ZINC000067321946 222144790 /nfs/dbraw/zinc/14/47/90/222144790.db2.gz KJDFGILBJVMGOZ-UHFFFAOYSA-N 0 0 376.235 5.224 50 5 GKBARN O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1 ZINC000002645856 534672613 /nfs/dbraw/zinc/67/26/13/534672613.db2.gz CETNLZPTFOGGGN-UHFFFAOYSA-N 0 0 380.425 5.118 50 5 GKBARN C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000000828368 525277254 /nfs/dbraw/zinc/27/72/54/525277254.db2.gz GJMWWFNRZSYREK-IIBYNOLFSA-N 0 0 387.439 5.187 50 5 GKBARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000000828370 525449028 /nfs/dbraw/zinc/44/90/28/525449028.db2.gz GJMWWFNRZSYREK-IERDGZPVSA-N 0 0 387.439 5.187 50 5 GKBARN O=C1c2ccccc2N[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000000831396 527134200 /nfs/dbraw/zinc/13/42/00/527134200.db2.gz COXDFBQWPZBLSY-LJQANCHMSA-N 0 0 379.803 5.019 50 5 GKBARN Cc1cc(C(=O)Nc2ccccc2SCc2ccsc2)ccc1[N+](=O)[O-] ZINC000015720120 570217631 /nfs/dbraw/zinc/21/76/31/570217631.db2.gz FNYMUERMWJCCGH-UHFFFAOYSA-N 0 0 384.482 5.509 50 5 GKBARN Cc1c(OCc2cccc(Br)c2)ccc2c3ccccc3c(=O)oc12 ZINC000001152958 570249117 /nfs/dbraw/zinc/24/91/17/570249117.db2.gz MRSCAXNGAOHHHW-UHFFFAOYSA-N 0 0 395.252 5.596 50 5 GKBARN Cc1c(OCc2c(Cl)cccc2Cl)ccc2c3ccccc3c(=O)oc12 ZINC000001797669 570268650 /nfs/dbraw/zinc/26/86/50/570268650.db2.gz UYKWEQILEMEESK-UHFFFAOYSA-N 0 0 385.246 6.140 50 5 GKBARN C[C@@H]1CCc2c(sc3nc4c5ccccc5c(-c5ccccc5)nn4c(=O)c23)C1 ZINC000001801786 570268759 /nfs/dbraw/zinc/26/87/59/570268759.db2.gz CEWROALGQBGICQ-CQSZACIVSA-N 0 0 397.503 5.249 50 5 GKBARN c1ccc2cc3c(ccc4ccc5cc6c(ccc7ccccc76)cc5c43)cc2c1 ZINC000002077599 570273383 /nfs/dbraw/zinc/27/33/83/570273383.db2.gz CKSAALIPEBETEG-UHFFFAOYSA-N 0 0 378.474 8.606 50 5 GKBARN O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000000701871 570294324 /nfs/dbraw/zinc/29/43/24/570294324.db2.gz YJJIXBKFIIGXBV-PCCBWWKXSA-N 0 0 377.827 5.628 50 5 GKBARN Cc1cccc2c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cc(-c3ccccc3)nc12 ZINC000004832560 570305781 /nfs/dbraw/zinc/30/57/81/570305781.db2.gz JBDBMXLRGKUYFE-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cc(-c3ccc(F)cc3)c3c(ccc4ccccc43)n2)c1 ZINC000002924774 570318453 /nfs/dbraw/zinc/31/84/53/570318453.db2.gz HLXWXPXAHPIZRU-UHFFFAOYSA-N 0 0 394.405 6.769 50 5 GKBARN Cc1cccc(C(=O)N[C@@H](c2cc3ccccc3o2)c2ccccc2)c1[N+](=O)[O-] ZINC000024877301 570320481 /nfs/dbraw/zinc/32/04/81/570320481.db2.gz ABTPLHUOYVZKCO-OAQYLSRUSA-N 0 0 386.407 5.169 50 5 GKBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000023489980 570325079 /nfs/dbraw/zinc/32/50/79/570325079.db2.gz IAZXRGMNAPKLEH-NSHDSACASA-N 0 0 399.299 5.041 50 5 GKBARN O=C1[C@H](c2ccccc2)c2c(c3ccccc3c3ccccc23)[C@@H]1c1ccccc1 ZINC000003051832 570327240 /nfs/dbraw/zinc/32/72/40/570327240.db2.gz AGWYEPSKPQEXTK-WMPKNSHKSA-N 0 0 384.478 6.840 50 5 GKBARN CC(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C2CC2)c([N+](=O)[O-])c1 ZINC000023620305 570328553 /nfs/dbraw/zinc/32/85/53/570328553.db2.gz XORNUPRBWGRVLU-UHFFFAOYSA-N 0 0 379.441 5.147 50 5 GKBARN Clc1cccc2c(Br)c3ccccc3c(Cc3ccccc3)c12 ZINC000003123091 570329316 /nfs/dbraw/zinc/32/93/16/570329316.db2.gz FMQWUDCHJRKSJR-UHFFFAOYSA-N 0 0 381.700 7.000 50 5 GKBARN Cc1ccc(-c2csc3nc4c5ccccc5c(Cl)nn4c(=O)c23)cc1C ZINC000003267680 570335038 /nfs/dbraw/zinc/33/50/38/570335038.db2.gz DTLNRFLKRHZMRF-UHFFFAOYSA-N 0 0 391.883 5.395 50 5 GKBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004854117 570348118 /nfs/dbraw/zinc/34/81/18/570348118.db2.gz XUZGJAQOUPUIFJ-FYYLOGMGSA-N 0 0 385.423 5.146 50 5 GKBARN Cc1ccc2cc3cc(C(=O)Nc4cccc([N+](=O)[O-])c4C)sc3nc2c1 ZINC000004886176 570355201 /nfs/dbraw/zinc/35/52/01/570355201.db2.gz SMQXYIWKMWLIIA-UHFFFAOYSA-N 0 0 377.425 5.227 50 5 GKBARN CCCCN(CCCC)c1cc(NCc2ccccc2)c([N+](=O)[O-])c2nonc21 ZINC000004889150 570356531 /nfs/dbraw/zinc/35/65/31/570356531.db2.gz MHOPYAYIPHGAFA-UHFFFAOYSA-N 0 0 397.479 5.150 50 5 GKBARN O=[N+]([O-])c1cccc([C@@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)c1 ZINC000004899008 570358632 /nfs/dbraw/zinc/35/86/32/570358632.db2.gz SYLCDKGPBDWDOE-JXBQVTFLSA-N 0 0 399.450 5.989 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000006279395 570359228 /nfs/dbraw/zinc/35/92/28/570359228.db2.gz HLNNCRABZRUXLK-UHFFFAOYSA-N 0 0 376.821 5.032 50 5 GKBARN O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc([N+](=O)[O-])c3)C12 ZINC000100415249 570359674 /nfs/dbraw/zinc/35/96/74/570359674.db2.gz ZTQYNTGVQCHUOU-QFIPXVFZSA-N 0 0 386.432 5.845 50 5 GKBARN Cc1ccc(-c2csc(-c3cc4c(ccc5ccccc54)o/c3=N\O)n2)cc1 ZINC000004460646 570376056 /nfs/dbraw/zinc/37/60/56/570376056.db2.gz HDGAIYVAFBNOPY-LVWGJNHUSA-N 0 0 384.460 5.975 50 5 GKBARN O=C(Nc1ccc(/C=C\c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cl)cc1 ZINC000033591023 570382113 /nfs/dbraw/zinc/38/21/13/570382113.db2.gz JEFCILHFHZVYEE-UPHRSURJSA-N 0 0 378.815 5.671 50 5 GKBARN CCC[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2 ZINC000004999019 570391226 /nfs/dbraw/zinc/39/12/26/570391226.db2.gz QIQPEXNPNATQMN-IXYLRAAXSA-N 0 0 387.549 5.266 50 5 GKBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1cc(C)ccc1C ZINC000005033234 570401742 /nfs/dbraw/zinc/40/17/42/570401742.db2.gz RIHUSOVBGOTFSL-UHFFFAOYSA-N 0 0 384.819 5.686 50 5 GKBARN CCOc1ccc2nc(Sc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1 ZINC000005061422 570409005 /nfs/dbraw/zinc/40/90/05/570409005.db2.gz YWIAYXLKZUZEBM-UHFFFAOYSA-N 0 0 389.483 5.364 50 5 GKBARN C[C@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000005069373 570409246 /nfs/dbraw/zinc/40/92/46/570409246.db2.gz OZKGLELHFKPFDA-NSDYXAQKSA-N 0 0 394.471 5.190 50 5 GKBARN CCOP(=O)(OCC)[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000005128399 570421976 /nfs/dbraw/zinc/42/19/76/570421976.db2.gz MXVAWSJYPGJSHV-QGZVFWFLSA-N 0 0 398.783 5.625 50 5 GKBARN Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc3n2)o1 ZINC000006504036 570459694 /nfs/dbraw/zinc/45/96/94/570459694.db2.gz QZANAKHEKMNRCR-UHFFFAOYSA-N 0 0 388.379 5.068 50 5 GKBARN Cn1c2ccccc2nc1-c1c(-c2ccccc2)n[nH]c1-c1ccc([N+](=O)[O-])cc1 ZINC000006507888 570460584 /nfs/dbraw/zinc/46/05/84/570460584.db2.gz FOCSENHYJNMIOO-UHFFFAOYSA-N 0 0 395.422 5.206 50 5 GKBARN Cc1ccc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c1 ZINC000006586656 570484484 /nfs/dbraw/zinc/48/44/84/570484484.db2.gz SLYOHZXMKNGXTE-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN O=C1CS[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000005190362 570498865 /nfs/dbraw/zinc/49/88/65/570498865.db2.gz IOCIYYJBSRASQX-NRFANRHFSA-N 0 0 392.436 5.166 50 5 GKBARN CCOc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1OC ZINC000005234832 570523638 /nfs/dbraw/zinc/52/36/38/570523638.db2.gz NVPJFXZYRSUECF-UHFFFAOYSA-N 0 0 383.451 5.193 50 5 GKBARN O=[N+]([O-])c1cccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)c1 ZINC000003876742 570539602 /nfs/dbraw/zinc/53/96/02/570539602.db2.gz XAEUPBHGUNGJAO-UHFFFAOYSA-N 0 0 381.395 5.195 50 5 GKBARN O=c1c2ccccc2oc2cc(OCc3cccc(C(F)(F)F)c3)cc(O)c12 ZINC000005442780 570594826 /nfs/dbraw/zinc/59/48/26/570594826.db2.gz LYNACMCPTPDZNZ-UHFFFAOYSA-N 0 0 386.325 5.250 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2ccc(F)cc2)c1 ZINC000036348425 570629574 /nfs/dbraw/zinc/62/95/74/570629574.db2.gz OEVBLEUIDKUZIH-OAQYLSRUSA-N 0 0 399.853 5.184 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2c3cccn3CCCN2Cc2ccc(F)c(Cl)c2)cc1 ZINC000036347779 570630302 /nfs/dbraw/zinc/63/03/02/570630302.db2.gz MSXPWBJFSJQKQT-OAQYLSRUSA-N 0 0 399.853 5.184 50 5 GKBARN CCc1cc(Oc2cccc(F)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350233 570633819 /nfs/dbraw/zinc/63/38/19/570633819.db2.gz RQIILKOAZKDQTH-UHFFFAOYSA-N 0 0 385.420 5.171 50 5 GKBARN CCc1cc(Oc2cccc(C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350226 570633970 /nfs/dbraw/zinc/63/39/70/570633970.db2.gz JIRGFHWOOQRGHH-UHFFFAOYSA-N 0 0 381.457 5.340 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1N=[P@@](c1ccncc1)(N1CCCC1)C(C)(C)C ZINC000005571078 570657425 /nfs/dbraw/zinc/65/74/25/570657425.db2.gz HQKZPHCQSYDNLQ-MHZLTWQESA-N 0 0 386.436 5.266 50 5 GKBARN Cc1ccc(C(=O)C[C@@H](SCc2ccco2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000844665 570661350 /nfs/dbraw/zinc/66/13/50/570661350.db2.gz RKDPFKVYMHDABZ-OAQYLSRUSA-N 0 0 381.453 5.744 50 5 GKBARN O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000851420 570662758 /nfs/dbraw/zinc/66/27/58/570662758.db2.gz JPXNTXLYHDUNPK-UHFFFAOYSA-N 0 0 382.803 5.080 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1 ZINC000004615149 570666713 /nfs/dbraw/zinc/66/67/13/570666713.db2.gz OWICCLNHDOUDNR-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN COc1ccccc1-c1c(C)nn(-c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1 ZINC000000985389 570743315 /nfs/dbraw/zinc/74/33/15/570743315.db2.gz QNAQMAMFUIWAFV-UHFFFAOYSA-N 0 0 385.423 5.432 50 5 GKBARN Cc1nc2c3sc4nc(-c5cccs5)cc(-c5ccccc5)c4c3ncn2n1 ZINC000001017328 570745798 /nfs/dbraw/zinc/74/57/98/570745798.db2.gz YGXXUWFGIYWTHS-UHFFFAOYSA-N 0 0 399.504 5.591 50 5 GKBARN O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc2ccccc2c1 ZINC000001022411 570746800 /nfs/dbraw/zinc/74/68/00/570746800.db2.gz XICPQHARMYVWJC-UHFFFAOYSA-N 0 0 393.402 5.114 50 5 GKBARN C[C@@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000001167144 570758969 /nfs/dbraw/zinc/75/89/69/570758969.db2.gz OVYWWVMJZSDKFY-SECBINFHSA-N 0 0 380.187 5.092 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)o1 ZINC000001173802 570787661 /nfs/dbraw/zinc/78/76/61/570787661.db2.gz NCXHAFWARNOBOZ-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000001186628 570791482 /nfs/dbraw/zinc/79/14/82/570791482.db2.gz FZGWJHMXBQAOFD-KPKJPENVSA-N 0 0 399.406 5.363 50 5 GKBARN CC(C)(C)c1cc(Cn2cc3cc([N+](=O)[O-])ccc3n2)cc(C(C)(C)C)c1O ZINC000001195615 570792483 /nfs/dbraw/zinc/79/24/83/570792483.db2.gz KWOOEDBMPRRKGP-UHFFFAOYSA-N 0 0 381.476 5.293 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1nnc(NCc2ccccc2)s1 ZINC000013896977 570799982 /nfs/dbraw/zinc/79/99/82/570799982.db2.gz WEVUJOMFRGJNAS-UHFFFAOYSA-N 0 0 385.448 5.077 50 5 GKBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1sc2ccccc2c1Cl ZINC000004670347 570811618 /nfs/dbraw/zinc/81/16/18/570811618.db2.gz CMYJPIDVUYOXNS-UHFFFAOYSA-N 0 0 381.240 5.677 50 5 GKBARN O=[N+]([O-])c1ccc2o/c(=N\O)c(-c3nc(-c4ccc(Cl)cc4)cs3)cc2c1 ZINC000004673538 570819867 /nfs/dbraw/zinc/81/98/67/570819867.db2.gz JIQVWYAGHCTGJT-FXBPSFAMSA-N 0 0 399.815 5.075 50 5 GKBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 ZINC000004678169 570823836 /nfs/dbraw/zinc/82/38/36/570823836.db2.gz NBSRHJVYWRZNOY-UHFFFAOYSA-N 0 0 394.434 5.582 50 5 GKBARN CSc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1[N+](=O)[O-] ZINC000007344634 570832391 /nfs/dbraw/zinc/83/23/91/570832391.db2.gz ASYWAIQBMVXNFP-UHFFFAOYSA-N 0 0 378.453 5.160 50 5 GKBARN Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102535132 570850206 /nfs/dbraw/zinc/85/02/06/570850206.db2.gz IKAQHXDGETYTEE-OAQYLSRUSA-N 0 0 377.444 5.775 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004544122 570852884 /nfs/dbraw/zinc/85/28/84/570852884.db2.gz IBFXWHBAYPKIHH-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000032855846 570855413 /nfs/dbraw/zinc/85/54/13/570855413.db2.gz ARNJAFMURCOAQX-JTQLQIEISA-N 0 0 380.782 5.209 50 5 GKBARN Cc1cc2c(cc1C)N[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102648594 570855541 /nfs/dbraw/zinc/85/55/41/570855541.db2.gz UINKVUWGSKYZNT-JOCHJYFZSA-N 0 0 391.471 6.083 50 5 GKBARN O=[N+]([O-])c1cc([N+](=O)[O-])c(SCc2ccco2)cc1SCc1ccco1 ZINC000004547279 570859305 /nfs/dbraw/zinc/85/93/05/570859305.db2.gz SUMYYEDYCABYHI-UHFFFAOYSA-N 0 0 392.414 5.274 50 5 GKBARN Cc1ccccc1Nc1nnc(-c2cc3c(ccc4ccccc43)oc2=O)s1 ZINC000004546779 570859391 /nfs/dbraw/zinc/85/93/91/570859391.db2.gz ILDNWOLTDDILEN-UHFFFAOYSA-N 0 0 385.448 5.517 50 5 GKBARN Cc1cccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)c1C ZINC000004549730 570860783 /nfs/dbraw/zinc/86/07/83/570860783.db2.gz SGAAXDHXJRKTBJ-UHFFFAOYSA-N 0 0 399.475 5.825 50 5 GKBARN COc1cc2c(cc1NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])oc1ccccc12 ZINC000004722437 570862668 /nfs/dbraw/zinc/86/26/68/570862668.db2.gz VLBUJJRRIGZJFE-UHFFFAOYSA-N 0 0 396.786 5.409 50 5 GKBARN COC(=O)c1ccc(CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000012564876 570869806 /nfs/dbraw/zinc/86/98/06/570869806.db2.gz SBVSRDYOEUPTIF-UHFFFAOYSA-N 0 0 399.475 5.115 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004726078 570878118 /nfs/dbraw/zinc/87/81/18/570878118.db2.gz YWTODPAVIRBVQR-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000019164855 570882648 /nfs/dbraw/zinc/88/26/48/570882648.db2.gz AJAGUSRZDBQBPF-UHFFFAOYSA-N 0 0 392.255 5.193 50 5 GKBARN Cc1cccc(Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1C ZINC000004561054 570888674 /nfs/dbraw/zinc/88/86/74/570888674.db2.gz TXRBSGXIKCKUBV-UHFFFAOYSA-N 0 0 398.487 6.430 50 5 GKBARN C[C@H](CC[C@@H](COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000004582842 570910873 /nfs/dbraw/zinc/91/08/73/570910873.db2.gz VOWXGOGQMZSMGZ-AABGKKOBSA-N 0 0 391.596 7.515 50 5 GKBARN C[C@@H](Sc1nnc(-c2cccc3ccccc32)o1)c1cccc([N+](=O)[O-])c1 ZINC000170638501 570939727 /nfs/dbraw/zinc/93/97/27/570939727.db2.gz PGLXWACHQNJURB-CYBMUJFWSA-N 0 0 377.425 5.651 50 5 GKBARN O=c1oc2c(ccc3c2CN(c2ccc(F)c(Cl)c2)CO3)c2ccccc12 ZINC000002120185 570953782 /nfs/dbraw/zinc/95/37/82/570953782.db2.gz WORRDULUDWZCMP-UHFFFAOYSA-N 0 0 381.790 5.095 50 5 biogenic GKBARN C[C@]12CC[C@@H]3c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@@H]1CC[C@H]2O ZINC000252428738 570955205 /nfs/dbraw/zinc/95/52/05/570955205.db2.gz XZTBAORMDUNJQT-BAHGYDIPSA-N 0 0 393.483 5.604 50 5 GKBARN COc1ccc(C(=O)C[C@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000205752356 570969502 /nfs/dbraw/zinc/96/95/02/570969502.db2.gz RFWYNSPIRPWPNM-NRFANRHFSA-N 0 0 376.412 5.030 50 5 GKBARN C[C@H]1Oc2cc([N+](=O)[O-])cc3c2C1=Cc1ccc(OCc2ccccc2)cc1O3 ZINC000004770044 570973172 /nfs/dbraw/zinc/97/31/72/570973172.db2.gz ODTXRUBNFOBZJY-CQSZACIVSA-N 0 0 387.391 5.601 50 5 GKBARN Cc1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2c(Cl)ccc(C)c2n1 ZINC000002161407 570981696 /nfs/dbraw/zinc/98/16/96/570981696.db2.gz YFBSCKHKQMNESY-UHFFFAOYSA-N 0 0 396.752 6.224 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1cc(Cl)cc(Cl)c1 ZINC000002162676 570981831 /nfs/dbraw/zinc/98/18/31/570981831.db2.gz PRFPUQXONMQXQD-UHFFFAOYSA-N 0 0 397.092 5.621 50 5 GKBARN O=C(Nc1ccccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004819700 570997557 /nfs/dbraw/zinc/99/75/57/570997557.db2.gz QJIZQEMWLDBZJM-NBVRZTHBSA-N 0 0 378.815 5.428 50 5 GKBARN O=C(Nc1cccc2ccccc21)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000004819505 570998041 /nfs/dbraw/zinc/99/80/41/570998041.db2.gz OUMOFXRAONWZLM-HAVVHWLPSA-N 0 0 394.430 5.927 50 5 GKBARN CCCOc1ccccc1Cn1c2ccc(C)cc2c2nc3ccccc3nc21 ZINC000002207335 571005173 /nfs/dbraw/zinc/00/51/73/571005173.db2.gz RBTNFIJOADRVJA-UHFFFAOYSA-N 0 0 381.479 5.883 50 5 GKBARN Cc1ccc(CN2CCCn3cccc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000037523498 571024879 /nfs/dbraw/zinc/02/48/79/571024879.db2.gz PLHLFUDUGOQXDJ-HSZRJFAPSA-N 0 0 375.472 5.008 50 5 GKBARN CCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21 ZINC000002215132 571038221 /nfs/dbraw/zinc/03/82/21/571038221.db2.gz SVMVYAWEWAODGX-UHFFFAOYSA-N 0 0 392.503 5.322 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nc3ccccc3c(Nc3ccc(Cl)cc3)n2)cc1 ZINC000016974934 210200206 /nfs/dbraw/zinc/20/02/06/210200206.db2.gz KRFXYFSDGQFVSC-UHFFFAOYSA-N 0 0 376.803 5.602 50 5 GKBARN O=[N+]([O-])c1ccc(-c2cn3c(n2)sc(-c2ccccc2)c3-c2ccccc2)cc1 ZINC000016492329 210191817 /nfs/dbraw/zinc/19/18/17/210191817.db2.gz LNLBEGUXRUEMSP-UHFFFAOYSA-N 0 0 397.459 6.305 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000015401574 210156949 /nfs/dbraw/zinc/15/69/49/210156949.db2.gz SZMRJBUQXISWOA-WDXRGRCHSA-N 0 0 376.456 5.072 50 5 GKBARN O=C(Nc1cccc(Cl)c1)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000005064177 209565976 /nfs/dbraw/zinc/56/59/76/209565976.db2.gz HGTUANWCNJUIAB-UHFFFAOYSA-N 0 0 395.846 5.155 50 5 GKBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000004854116 209534127 /nfs/dbraw/zinc/53/41/27/209534127.db2.gz XUZGJAQOUPUIFJ-JTHBVZDNSA-N 0 0 385.423 5.146 50 5 GKBARN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCCC3)o2)c([N+](=O)[O-])c1 ZINC000004746925 209521603 /nfs/dbraw/zinc/52/16/03/209521603.db2.gz JHOLPESXMKTBSC-UHFFFAOYSA-N 0 0 391.427 5.016 50 5 GKBARN Cc1noc(/C=C/c2cn(CCOc3ccccc3)c3ccccc23)c1[N+](=O)[O-] ZINC000004709229 209514927 /nfs/dbraw/zinc/51/49/27/209514927.db2.gz ZMWUVHFRUQGXIL-VAWYXSNFSA-N 0 0 389.411 5.095 50 5 GKBARN Cc1c(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cccc1[N+](=O)[O-] ZINC000004599805 209502259 /nfs/dbraw/zinc/50/22/59/209502259.db2.gz ULIYSLADVCAEJB-UHFFFAOYSA-N 0 0 391.265 5.216 50 5 GKBARN O=[N+]([O-])c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000004090826 209463067 /nfs/dbraw/zinc/46/30/67/209463067.db2.gz OTNGBGVGXRVANQ-UHFFFAOYSA-N 0 0 391.496 5.103 50 5 GKBARN O=c1c2cccc3cccc(c4nc5cc6c7c(cccc7c5n41)-c1ccccc1-6)c32 ZINC000003833666 209454799 /nfs/dbraw/zinc/45/47/99/209454799.db2.gz BQDAWPHBGRLNJL-UHFFFAOYSA-N 0 0 394.433 6.393 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000004034029 209460210 /nfs/dbraw/zinc/46/02/10/209460210.db2.gz UPFIWPWWEHGFKK-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN CCCCCCNC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000003021515 209406635 /nfs/dbraw/zinc/40/66/35/209406635.db2.gz WCKAUGAHINDDBZ-UHFFFAOYSA-N 0 0 376.453 5.195 50 5 GKBARN COc1ccc([C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)Nc2ccccc2)cc1 ZINC000002841978 209390088 /nfs/dbraw/zinc/39/00/88/209390088.db2.gz VLNGHYVBEJCXGN-OAQYLSRUSA-N 0 0 376.412 5.030 50 5 GKBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Sc1ccc(Cl)cc1 ZINC000002160457 209348604 /nfs/dbraw/zinc/34/86/04/209348604.db2.gz GXTIYPMRYNUMQC-UHFFFAOYSA-N 0 0 393.855 6.010 50 5 GKBARN O=c1oc2c(cccc2[N+](=O)[O-])cc1-c1nc(-c2ccc(Cl)cc2)cs1 ZINC000002200929 209350014 /nfs/dbraw/zinc/35/00/14/209350014.db2.gz 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COc1cc(OC)c(-c2nc3c([nH]2)c2ccccc2c2ccccc32)cc1OC ZINC000001194955 209312969 /nfs/dbraw/zinc/31/29/69/209312969.db2.gz GERGMMGHSRNTOG-UHFFFAOYSA-N 0 0 384.435 5.562 50 5 GKBARN O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000001194177 209311659 /nfs/dbraw/zinc/31/16/59/209311659.db2.gz XWVUCBHBEQLXKD-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN O=C1S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1 ZINC000001188257 209311477 /nfs/dbraw/zinc/31/14/77/209311477.db2.gz OWZULGZUIPOZKW-PDGQHHTCSA-N 0 0 392.392 5.096 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 ZINC000001144645 209306951 /nfs/dbraw/zinc/30/69/51/209306951.db2.gz RAYHDRNILQYUOU-UHFFFAOYSA-N 0 0 394.481 5.196 50 5 GKBARN CCc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1 ZINC000001112909 209302441 /nfs/dbraw/zinc/30/24/41/209302441.db2.gz STYDLIKCIHCIJO-UHFFFAOYSA-N 0 0 387.848 5.186 50 5 GKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(Cl)c(Cl)c1 ZINC000001115017 209302204 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ZINC000001122534 212220186 /nfs/dbraw/zinc/22/01/86/212220186.db2.gz FXMVOFQDIKJAFH-UHFFFAOYSA-N 0 0 376.290 5.126 50 5 GKBARN Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001045078 212210074 /nfs/dbraw/zinc/21/00/74/212210074.db2.gz UXGRKXNPHOMTIW-JOCHJYFZSA-N 0 0 392.480 5.592 50 5 GKBARN O=[N+]([O-])c1cccc(Nc2nc(-c3ccc(Br)cc3)cs2)c1 ZINC000000992506 212202562 /nfs/dbraw/zinc/20/25/62/212202562.db2.gz KVPKXYUOWGEWQX-UHFFFAOYSA-N 0 0 376.235 5.224 50 5 GKBARN CCC(=O)c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 ZINC000000868207 212192115 /nfs/dbraw/zinc/19/21/15/212192115.db2.gz PQYZYVXUJQDJPZ-UHFFFAOYSA-N 0 0 399.406 5.590 50 5 GKBARN CCc1sc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)nc1-c1ccc(C)cc1 ZINC000000869188 212190817 /nfs/dbraw/zinc/19/08/17/212190817.db2.gz AVUNQIIQGQHEHF-UHFFFAOYSA-N 0 0 392.436 5.363 50 5 GKBARN O=C(Nc1ccccc1C(F)(F)F)c1cc2c(ccc3ccccc32)oc1=O ZINC000000715775 212177152 /nfs/dbraw/zinc/17/71/52/212177152.db2.gz KLWVSONQITZFKO-UHFFFAOYSA-N 0 0 383.325 5.217 50 5 GKBARN c1coc(-c2nc(-c3cc4ccccc4c4ccccc34)[nH]c2-c2ccco2)c1 ZINC000000644465 212168493 /nfs/dbraw/zinc/16/84/93/212168493.db2.gz PZSXFRINRAQAGP-UHFFFAOYSA-N 0 0 376.415 6.903 50 5 GKBARN Cc1c(OCC(=O)c2ccc3ccccc3c2)ccc2c3ccccc3c(=O)oc12 ZINC000000622092 212165281 /nfs/dbraw/zinc/16/52/81/212165281.db2.gz IJCCZSIUMHYJAA-UHFFFAOYSA-N 0 0 394.426 5.670 50 5 GKBARN Cc1ccc2c(oc(=O)c3c(-c4cccnc4)nc4c5ccccc5oc4c23)c1C ZINC000011865277 212147825 /nfs/dbraw/zinc/14/78/25/212147825.db2.gz BNVZCYGAZJJMIB-UHFFFAOYSA-N 0 0 392.414 5.919 50 5 GKBARN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542787 212080304 /nfs/dbraw/zinc/08/03/04/212080304.db2.gz NUJURPFEHLYISU-ACCUITESSA-N 0 0 376.412 5.378 50 5 GKBARN CCc1cccc(C)c1NC(=O)CCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542640 212079258 /nfs/dbraw/zinc/07/92/58/212079258.db2.gz QGHYCDSDHJNMOE-UHFFFAOYSA-N 0 0 378.428 5.297 50 5 GKBARN O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1Br ZINC000001108308 203883220 /nfs/dbraw/zinc/88/32/20/203883220.db2.gz BLJMQVQLFUYUGI-UHFFFAOYSA-N 0 0 397.228 5.277 50 5 GKBARN O=[N+]([O-])c1cc(C2N(c3ccccc3)CCN2c2ccccc2)ccc1Cl ZINC000001822270 203921126 /nfs/dbraw/zinc/92/11/26/203921126.db2.gz KTWAEPMQONUFIK-UHFFFAOYSA-N 0 0 379.847 5.274 50 5 GKBARN O=C1N[C@H](c2c3ccccc3cc3ccccc32)Nc2sc3c(c21)CCCC3 ZINC000002052832 203925323 /nfs/dbraw/zinc/92/53/23/203925323.db2.gz XMFWEIXFDUVQTI-QFIPXVFZSA-N 0 0 384.504 5.787 50 5 GKBARN Brc1cc2c3ccccc3c(Br)cc2c2ccccc12 ZINC000002173151 203929732 /nfs/dbraw/zinc/92/97/32/203929732.db2.gz RULVBMDEPWAFIN-UHFFFAOYSA-N 0 0 386.086 6.671 50 5 GKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c(C)c1 ZINC000002226858 203930982 /nfs/dbraw/zinc/93/09/82/203930982.db2.gz SGHDMZWBFMDWBV-UHFFFAOYSA-N 0 0 395.422 5.161 50 5 GKBARN Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000001218700 203898159 /nfs/dbraw/zinc/89/81/59/203898159.db2.gz QKFXZYGMNQQHRF-UHFFFAOYSA-N 0 0 392.255 5.193 50 5 GKBARN O=C(Nc1cc(Sc2ccccc2)cc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 ZINC000001230246 203899479 /nfs/dbraw/zinc/89/94/79/203899479.db2.gz HYSFVYGIMJZGRJ-UHFFFAOYSA-N 0 0 386.379 5.277 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Nc1ncc(C(F)(F)F)cc1Cl ZINC000004348023 204041025 /nfs/dbraw/zinc/04/10/25/204041025.db2.gz CMDBBBSATYISNP-UHFFFAOYSA-N 0 0 385.651 5.424 50 5 GKBARN COP(=O)(OC)[C@@H](Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000003652980 204017045 /nfs/dbraw/zinc/01/70/45/204017045.db2.gz GEQZHJQDWUVLTL-GOSISDBHSA-N 0 0 378.365 5.315 50 5 GKBARN CCn1c2ccccc2c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 ZINC000004091481 204026644 /nfs/dbraw/zinc/02/66/44/204026644.db2.gz AUSVTNSPONWUSG-UHFFFAOYSA-N 0 0 393.830 5.628 50 5 GKBARN O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)cc1Oc1ccc(Cl)cc1 ZINC000004727452 204068972 /nfs/dbraw/zinc/06/89/72/204068972.db2.gz UANBYSSIMCVSNG-UHFFFAOYSA-N 0 0 376.195 6.486 50 5 GKBARN Cc1ccc(-c2nn3c4cc(N5CCCC5)ccc4nc3c3ccccc32)cc1 ZINC000004739208 204070533 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O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000001113627 205808250 /nfs/dbraw/zinc/80/82/50/205808250.db2.gz MLEYYNNTZVZSLC-UHFFFAOYSA-N 0 0 380.014 5.461 50 5 GKBARN Cc1csc(Sc2ccc(C(=O)Nc3c(C)cccc3C)cc2[N+](=O)[O-])n1 ZINC000015992431 211711317 /nfs/dbraw/zinc/71/13/17/211711317.db2.gz MLKMIMWVXFNWSV-UHFFFAOYSA-N 0 0 399.497 5.380 50 5 GKBARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002977660 206039202 /nfs/dbraw/zinc/03/92/02/206039202.db2.gz DRGZMXAEBZECCO-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000032795006 206093389 /nfs/dbraw/zinc/09/33/89/206093389.db2.gz YDVFPUDLTBIWAD-QWHCGFSZSA-N 0 0 395.381 5.077 50 5 GKBARN O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])Oc1ccccc1Cc1ccccc1 ZINC000004800884 206228057 /nfs/dbraw/zinc/22/80/57/206228057.db2.gz YEGGFLNCUUPUDS-UHFFFAOYSA-N 0 0 382.803 5.450 50 5 GKBARN Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000000831523 206325630 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385.423 5.015 50 5 GKBARN Cc1cc(C(C)(C)C)ccc1OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000003451830 206481293 /nfs/dbraw/zinc/48/12/93/206481293.db2.gz DODIJGTZEQELBV-UHFFFAOYSA-N 0 0 379.412 5.680 50 5 GKBARN O=[N+]([O-])c1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)cc1 ZINC000004390743 206519065 /nfs/dbraw/zinc/51/90/65/206519065.db2.gz XSSXIVFAUODNGI-UHFFFAOYSA-N 0 0 386.523 5.864 50 5 GKBARN CCn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N\c1cccc2ccccc21 ZINC000004471829 206521144 /nfs/dbraw/zinc/52/11/44/206521144.db2.gz CONKPABEKSWEDJ-DQRAZIAOSA-N 0 0 375.453 5.530 50 5 GKBARN O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004615908 206533747 /nfs/dbraw/zinc/53/37/47/206533747.db2.gz MKVPVYUEPOBSDN-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN Cc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000004614019 206534142 /nfs/dbraw/zinc/53/41/42/206534142.db2.gz UVPJIRJERCNAPN-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cc1oc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1C(=O)Nc1ccc(C)cc1C ZINC000005033216 206585937 /nfs/dbraw/zinc/58/59/37/206585937.db2.gz PXOBJJSITBZKFS-UHFFFAOYSA-N 0 0 384.819 5.686 50 5 GKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1C ZINC000005051605 206587308 /nfs/dbraw/zinc/58/73/08/206587308.db2.gz GWNNBUJKOKPDKI-UHFFFAOYSA-N 0 0 395.422 5.161 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005197442 206597901 /nfs/dbraw/zinc/59/79/01/206597901.db2.gz PWUABUKADVZRJW-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN Cc1ccc(C)c(NC(=O)CCCn2c3ccccc3c(=O)c3cc(C)ccc32)c1 ZINC000006720470 206666090 /nfs/dbraw/zinc/66/60/90/206666090.db2.gz SFJBSTNAVSWPAE-UHFFFAOYSA-N 0 0 398.506 5.499 50 5 GKBARN Cc1cc(C)cc(NC(=O)CCCn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000006720392 206666319 /nfs/dbraw/zinc/66/63/19/206666319.db2.gz LSTZHFLRJWWTTN-UHFFFAOYSA-N 0 0 384.479 5.190 50 5 GKBARN Cc1ccc(-n2c(=O)c3ccc4sc5ccccc5c5ccc(c2=O)c3c45)cc1 ZINC000095470775 211245639 /nfs/dbraw/zinc/24/56/39/211245639.db2.gz NSMFTSONBNGZLV-UHFFFAOYSA-N 0 0 393.467 5.618 50 5 GKBARN CCOc1cc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)nn1-c1ccccc1 ZINC000072434015 211120492 /nfs/dbraw/zinc/12/04/92/211120492.db2.gz OJINVZZRZFRWBX-UHFFFAOYSA-N 0 0 378.215 5.153 50 5 GKBARN Cn1c2ccccc2nc1-c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000007714939 206721180 /nfs/dbraw/zinc/72/11/80/206721180.db2.gz DGAVAKIZYPIOHC-UHFFFAOYSA-N 0 0 395.422 5.001 50 5 GKBARN CC1(C)Oc2ccc3c(c2O1)[C@@H]1CCCC[C@@H]1O[C@@H]3c1cccc([N+](=O)[O-])c1 ZINC000012402503 206893076 /nfs/dbraw/zinc/89/30/76/206893076.db2.gz TVXJXQLIRDPFDY-OXFYSEKESA-N 0 0 381.428 5.248 50 5 GKBARN O=c1oc2ccc(Cc3ccccc3Cl)cc2cc1-c1ccc([N+](=O)[O-])cc1 ZINC000015009177 207040478 /nfs/dbraw/zinc/04/04/78/207040478.db2.gz PMEQTFUNKPGEND-UHFFFAOYSA-N 0 0 391.810 5.612 50 5 GKBARN Cc1ccc([C@@H](C)Nc2ccc(-c3nc(-c4ccco4)no3)cc2[N+](=O)[O-])cc1 ZINC000015833918 207063100 /nfs/dbraw/zinc/06/31/00/207063100.db2.gz KPNFWAFCKYSLNL-CQSZACIVSA-N 0 0 390.399 5.386 50 5 GKBARN C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)c1nc2ccccc2n1C(F)F ZINC000032855847 210596266 /nfs/dbraw/zinc/59/62/66/210596266.db2.gz ARNJAFMURCOAQX-SNVBAGLBSA-N 0 0 380.782 5.209 50 5 GKBARN CCCOc1ccc(-c2nc3ccc4ccccc4c3c3c2C[C@H](C)CC3)cc1 ZINC000027570146 207326698 /nfs/dbraw/zinc/32/66/98/207326698.db2.gz KUUNAJBWRBXJDI-GOSISDBHSA-N 0 0 381.519 6.969 50 5 GKBARN CC(C)c1ccccc1Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000034840291 207476389 /nfs/dbraw/zinc/47/63/89/207476389.db2.gz LAPKVPCIJBYERF-UHFFFAOYSA-N 0 0 377.400 5.158 50 5 GKBARN CCCCNC(=O)C[C@H](c1c[nH]c2c1cccc2CC)c1cccc([N+](=O)[O-])c1 ZINC000035908165 207504108 /nfs/dbraw/zinc/50/41/08/207504108.db2.gz YXWFHDVIGOPGLM-FQEVSTJZSA-N 0 0 393.487 5.077 50 5 GKBARN O=c1c2ccc3oc4ccccc4c4ccc(c(=O)n1-c1ccc(Cl)cc1)c2c34 ZINC000095471042 208190957 /nfs/dbraw/zinc/19/09/57/208190957.db2.gz QUFQFKQHFWPWTK-UHFFFAOYSA-N 0 0 397.817 5.495 50 5 GKBARN Cc1cccc(C(=O)N[C@H](c2cc3ccccc3o2)c2ccccc2)c1[N+](=O)[O-] ZINC000024877294 210473903 /nfs/dbraw/zinc/47/39/03/210473903.db2.gz ABTPLHUOYVZKCO-NRFANRHFSA-N 0 0 386.407 5.169 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000001513961 208499835 /nfs/dbraw/zinc/49/98/35/208499835.db2.gz QXDMWBWVPZJPCM-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(Cl)cc1)CO2 ZINC000002123389 208501974 /nfs/dbraw/zinc/50/19/74/208501974.db2.gz CEFUJPXTZDGXKV-UHFFFAOYSA-N 0 0 377.827 5.265 50 5 biogenic GKBARN Cc1cc(C)c2c(n1)sc1c3nc(Nc4ccccc4)sc3c(=O)[nH]c12 ZINC000020607285 210351949 /nfs/dbraw/zinc/35/19/49/210351949.db2.gz XATMVYNOISLZIF-UHFFFAOYSA-N 0 0 378.482 5.108 50 5 GKBARN Cc1cc2n(n1)[C@@H](c1c3ccccc3cc3ccccc31)Nc1c(C)cccc1-2 ZINC000002178861 220506455 /nfs/dbraw/zinc/50/64/55/220506455.db2.gz UVOWAOCSNCYDGN-SANMLTNESA-N 0 0 375.475 6.446 50 5 GKBARN O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)Cc1cccc2ccccc21 ZINC000028294384 208945747 /nfs/dbraw/zinc/94/57/47/208945747.db2.gz ZERFHROYLDIZLN-UHFFFAOYSA-N 0 0 386.407 5.184 50 5 GKBARN CCCCOc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000002668006 220551944 /nfs/dbraw/zinc/55/19/44/220551944.db2.gz OKNMIZQKXZSBLM-UHFFFAOYSA-N 0 0 381.479 5.965 50 5 GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN([C@@H]1CCCc3ccccc31)CO2 ZINC000061997722 209000536 /nfs/dbraw/zinc/00/05/36/209000536.db2.gz WODRETOMDXVIDU-HSZRJFAPSA-N 0 0 397.474 5.484 50 5 biogenic GKBARN O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000002974910 220590503 /nfs/dbraw/zinc/59/05/03/220590503.db2.gz LBFMKNWTEXYLMI-UHFFFAOYSA-N 0 0 396.402 5.678 50 5 GKBARN Cc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000003325883 220628346 /nfs/dbraw/zinc/62/83/46/220628346.db2.gz XDMGOFLLBGCMPI-UHFFFAOYSA-N 0 0 394.814 5.040 50 5 GKBARN COc1cc2c(cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)oc1ccccc12 ZINC000003567003 220658506 /nfs/dbraw/zinc/65/85/06/220658506.db2.gz LEAZZHIYDPJSQA-UHFFFAOYSA-N 0 0 376.368 5.064 50 5 GKBARN C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004719694 220755368 /nfs/dbraw/zinc/75/53/68/220755368.db2.gz MCCDZVFPRDLZRM-IIBYNOLFSA-N 0 0 387.439 5.187 50 5 GKBARN c1ccc(-c2nn3c4cc(N5CCCCC5)ccc4nc3c3ccccc32)cc1 ZINC000004739206 220756912 /nfs/dbraw/zinc/75/69/12/220756912.db2.gz HTVVWUMMYDGKJO-UHFFFAOYSA-N 0 0 378.479 5.693 50 5 GKBARN O=C1C[C@H](c2ccccc2)Sc2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000005053200 220820188 /nfs/dbraw/zinc/82/01/88/220820188.db2.gz HFEMKZMECWIOJG-OAQYLSRUSA-N 0 0 390.464 5.365 50 5 GKBARN CC(C)Cc1nc2oc3c4ccccc4ccc3c(=O)c2c2nc3ccccc3n21 ZINC000005208324 220844989 /nfs/dbraw/zinc/84/49/89/220844989.db2.gz YYLPVXSFJDVYRG-UHFFFAOYSA-N 0 0 393.446 5.494 50 5 GKBARN CCOc1ccc(Cn2c3ccc(OC)cc3c3nc4ccccc4nc32)cc1 ZINC000005490026 220875741 /nfs/dbraw/zinc/87/57/41/220875741.db2.gz UXEZGWBHGISAAU-UHFFFAOYSA-N 0 0 383.451 5.193 50 5 GKBARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000007793012 221012728 /nfs/dbraw/zinc/01/27/28/221012728.db2.gz QZRDGGJWCFTXLI-UHFFFAOYSA-N 0 0 399.859 5.113 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1 ZINC000007986513 221019606 /nfs/dbraw/zinc/01/96/06/221019606.db2.gz TYPQWAXPFHGGDW-UHFFFAOYSA-N 0 0 391.427 5.636 50 5 GKBARN O=C1S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccccc1 ZINC000015011596 221326724 /nfs/dbraw/zinc/32/67/24/221326724.db2.gz OWZULGZUIPOZKW-LDADJPATSA-N 0 0 392.392 5.096 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)c1 ZINC000016739948 221369722 /nfs/dbraw/zinc/36/97/22/221369722.db2.gz GCUWVZYEFIOVRC-DQRAZIAOSA-N 0 0 379.485 5.862 50 5 GKBARN CCc1ccc2c(c1)N=C(c1ccc([N+](=O)[O-])cc1)NC(c1cccs1)=N2 ZINC000020447248 221487594 /nfs/dbraw/zinc/48/75/94/221487594.db2.gz QTAWNRZQRHIRJU-UHFFFAOYSA-N 0 0 376.441 5.169 50 5 GKBARN COc1cc(OC)c(NC(=O)c2cc3ccccc3c3cccnc23)cc1Cl ZINC000058186067 222043502 /nfs/dbraw/zinc/04/35/02/222043502.db2.gz JSYHEBXTBFXWHX-UHFFFAOYSA-N 0 0 392.842 5.311 50 5 GKBARN O=[N+]([O-])c1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 ZINC000067321947 222145034 /nfs/dbraw/zinc/14/50/34/222145034.db2.gz OERZWAHLYGPUMF-UHFFFAOYSA-N 0 0 376.235 5.224 50 5 GKBARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000000828369 524931950 /nfs/dbraw/zinc/93/19/50/524931950.db2.gz GJMWWFNRZSYREK-KKSFZXQISA-N 0 0 387.439 5.187 50 5 GKBARN Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1[N+](=O)[O-] ZINC000002855724 538558848 /nfs/dbraw/zinc/55/88/48/538558848.db2.gz NXZCHBKFVVUKIU-UHFFFAOYSA-N 0 0 382.803 5.601 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(Nc2ccc(F)cc2)n1 ZINC000000856341 570226879 /nfs/dbraw/zinc/22/68/79/570226879.db2.gz CZCRFTVLDKJIOT-UHFFFAOYSA-N 0 0 388.423 5.952 50 5 GKBARN Cc1ccc(-n2c(-c3cccc([N+](=O)[O-])c3)cnc2SC2CCCC2)cc1 ZINC000044085533 570235103 /nfs/dbraw/zinc/23/51/03/570235103.db2.gz IHGATHCWEZASME-UHFFFAOYSA-N 0 0 379.485 5.791 50 5 GKBARN Cc1cc2c(c3oc(=O)c4ccccc4c13)CN(Cc1ccccc1Cl)CO2 ZINC000020403823 570254441 /nfs/dbraw/zinc/25/44/41/570254441.db2.gz IOWWTUMVKHBGKZ-UHFFFAOYSA-N 0 0 391.854 5.260 50 5 GKBARN Cc1cc2n(n1)[C@H](c1c3ccccc3cc3ccccc31)Nc1c(C)cccc1-2 ZINC000002178860 570277262 /nfs/dbraw/zinc/27/72/62/570277262.db2.gz UVOWAOCSNCYDGN-AREMUKBSSA-N 0 0 375.475 6.446 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000677510 570288369 /nfs/dbraw/zinc/28/83/69/570288369.db2.gz GBMDXUCWYWNWNF-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000012910359 570290828 /nfs/dbraw/zinc/29/08/28/570290828.db2.gz NLICEENAJOUXTB-UHFFFAOYSA-N 0 0 399.859 5.113 50 5 GKBARN Cc1cccc(COc2ccc(-c3noc(-c4cccc([N+](=O)[O-])c4)n3)cc2)c1 ZINC000034680333 570299480 /nfs/dbraw/zinc/29/94/80/570299480.db2.gz MUUOMNLBFRZDNZ-UHFFFAOYSA-N 0 0 387.395 5.199 50 5 GKBARN CCOc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000004832204 570305783 /nfs/dbraw/zinc/30/57/83/570305783.db2.gz YCKRKPUYKJZTOS-UHFFFAOYSA-N 0 0 394.452 5.397 50 5 GKBARN Cc1cc([N+](=O)[O-])c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1Cl ZINC000095494807 570307293 /nfs/dbraw/zinc/30/72/93/570307293.db2.gz NFKWKAWFIVGZFY-UHFFFAOYSA-N 0 0 386.832 5.233 50 5 GKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)sc2c1 ZINC000000741871 570312801 /nfs/dbraw/zinc/31/28/01/570312801.db2.gz XXSGBAZNVUMHJX-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000000756445 570313247 /nfs/dbraw/zinc/31/32/47/570313247.db2.gz VCUCMSZCDZJXBQ-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc([N+](=O)[O-])cc1Cl ZINC000000756422 570313302 /nfs/dbraw/zinc/31/33/02/570313302.db2.gz CHFIHYHAOBAPJD-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN CN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3cc4ccccc4cc31)O2 ZINC000002896245 570317503 /nfs/dbraw/zinc/31/75/03/570317503.db2.gz SYDHXNUFWICOGV-AREMUKBSSA-N 0 0 378.475 6.212 50 5 GKBARN Cc1ccc(-c2csc(/C=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)n2)cc1 ZINC000006205362 570327201 /nfs/dbraw/zinc/32/72/01/570327201.db2.gz BYJBFNHLPLIOPC-ZRDIBKRKSA-N 0 0 388.448 6.457 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000004860476 570348136 /nfs/dbraw/zinc/34/81/36/570348136.db2.gz IZQFTOJDJWMXII-UHFFFAOYSA-N 0 0 399.406 5.071 50 5 GKBARN Cc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c2ccccc2n1 ZINC000004892408 570356945 /nfs/dbraw/zinc/35/69/45/570356945.db2.gz YEXQDFMHVXOYSF-UHFFFAOYSA-N 0 0 397.434 5.679 50 5 GKBARN Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000000825681 570374712 /nfs/dbraw/zinc/37/47/12/570374712.db2.gz HZXUUFOXHMBHIE-JOCHJYFZSA-N 0 0 386.451 5.156 50 5 GKBARN Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000000831494 570380582 /nfs/dbraw/zinc/38/05/82/570380582.db2.gz QYVKYBPEPWXFMR-UHFFFAOYSA-N 0 0 396.830 5.241 50 5 GKBARN Cc1cc2nc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3C)oc2c(C)c1 ZINC000000830442 570384536 /nfs/dbraw/zinc/38/45/36/570384536.db2.gz KMZANNAQIQIXTQ-UHFFFAOYSA-N 0 0 391.383 5.174 50 5 GKBARN CCc1ccc2ncc3c(-c4ccccc4)nn(-c4cccc([N+](=O)[O-])c4)c3c2c1 ZINC000004969975 570385132 /nfs/dbraw/zinc/38/51/32/570385132.db2.gz VPVHHEHKOAWINO-UHFFFAOYSA-N 0 0 394.434 5.711 50 5 GKBARN Cc1cccc2c3nc4ccccc4nc3n(CCOc3ccccc3Cl)c21 ZINC000005017203 570397111 /nfs/dbraw/zinc/39/71/11/570397111.db2.gz LZNZLVLUTKOXHL-UHFFFAOYSA-N 0 0 387.870 5.779 50 5 GKBARN Cc1ccc(NC2=C[C@@H](c3ccccc3[N+](=O)[O-])N(c3ccc(C)cc3)C2=O)cc1 ZINC000100573062 570399243 /nfs/dbraw/zinc/39/92/43/570399243.db2.gz MMGDNNRFKWEQSZ-QHCPKHFHSA-N 0 0 399.450 5.296 50 5 GKBARN Cc1cc(C)c(NC(=O)Cn2c3ccccc3c3nc4ccccc4nc32)c(C)c1 ZINC000004747260 570402024 /nfs/dbraw/zinc/40/20/24/570402024.db2.gz LZZLZQXNVQMMQW-UHFFFAOYSA-N 0 0 394.478 5.302 50 5 GKBARN O=c1oc2ccc3ccccc3c2cc1-c1csc(/C=C\c2ccccc2)n1 ZINC000033541612 570409602 /nfs/dbraw/zinc/40/96/02/570409602.db2.gz JZXKSJZXKVYFPG-RAXLEYEMSA-N 0 0 381.456 6.240 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1 ZINC000005093127 570415105 /nfs/dbraw/zinc/41/51/05/570415105.db2.gz ZAFDHJSIEFFUTO-UHFFFAOYSA-N 0 0 391.210 5.722 50 5 GKBARN O=c1oc2ccccc2c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc12 ZINC000005118925 570420290 /nfs/dbraw/zinc/42/02/90/570420290.db2.gz NSFORUQLWNTRGP-UHFFFAOYSA-N 0 0 386.357 5.348 50 5 GKBARN c1ccc(-c2cc(-c3ccc4ccccc4n3)c3c(ccc4ccccc43)n2)nc1 ZINC000004982381 570421212 /nfs/dbraw/zinc/42/12/12/570421212.db2.gz GESZOBZIBMQRLH-UHFFFAOYSA-N 0 0 383.454 6.665 50 5 GKBARN Cc1cc2nc3cc(Nc4cc(C)c5ccccc5n4)ccc3n2c2ccccc12 ZINC000001875027 570438461 /nfs/dbraw/zinc/43/84/61/570438461.db2.gz DGOLUPWPNLXVGI-UHFFFAOYSA-N 0 0 388.474 6.549 50 5 GKBARN Cc1cccc2c3nc4ccccc4nc3n(Cc3nnc(-c4ccccc4)o3)c21 ZINC000001893342 570438976 /nfs/dbraw/zinc/43/89/76/570438976.db2.gz HLRDGSXPQRSITI-UHFFFAOYSA-N 0 0 391.434 5.144 50 5 GKBARN C[C@H](Oc1cccc2c1ccc1c3c(c(=O)oc21)CCCC3)C(=O)c1ccccc1 ZINC000011867590 570441768 /nfs/dbraw/zinc/44/17/68/570441768.db2.gz ZMQPXLAZHGXILN-INIZCTEOSA-N 0 0 398.458 5.475 50 5 GKBARN C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000000849831 570484216 /nfs/dbraw/zinc/48/42/16/570484216.db2.gz LDONLUZOKCSXAX-UZLBHIALSA-N 0 0 387.439 5.187 50 5 GKBARN O=C(CCCn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000006720380 570490168 /nfs/dbraw/zinc/49/01/68/570490168.db2.gz SZOPRMSVJLUIEH-UHFFFAOYSA-N 0 0 390.870 5.227 50 5 GKBARN O=C1CS[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccc(Oc2ccccc2)cc1 ZINC000005190381 570499056 /nfs/dbraw/zinc/49/90/56/570499056.db2.gz IOCIYYJBSRASQX-OAQYLSRUSA-N 0 0 392.436 5.166 50 5 GKBARN O=c1c2ccccc2sc2nc(C3CCCCC3)n3c4ccccc4nc3c12 ZINC000005208813 570506960 /nfs/dbraw/zinc/50/69/60/570506960.db2.gz BWXBORGNAZSJPI-UHFFFAOYSA-N 0 0 385.492 5.658 50 5 GKBARN O=[N+]([O-])c1cccc(NC(=S)Nc2nc(-c3ccccc3Cl)cs2)c1 ZINC000006643971 570514754 /nfs/dbraw/zinc/51/47/54/570514754.db2.gz FEUTVQUHZSJUPC-UHFFFAOYSA-N 0 0 390.877 5.181 50 5 GKBARN CCOc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 ZINC000005258927 570528180 /nfs/dbraw/zinc/52/81/80/570528180.db2.gz ITEGVPDPCDBRGA-UHFFFAOYSA-N 0 0 398.503 5.841 50 5 GKBARN Cc1ccc(NC(=O)CCCn2c3ccccc3c(=O)c3cc(C)ccc32)cc1 ZINC000006720471 570548590 /nfs/dbraw/zinc/54/85/90/570548590.db2.gz RNWBVHGRLHBONO-UHFFFAOYSA-N 0 0 384.479 5.190 50 5 GKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CCCC(=O)Nc1cc(C)cc(C)c1 ZINC000006720464 570548604 /nfs/dbraw/zinc/54/86/04/570548604.db2.gz MDIJSKOLAIHGMD-UHFFFAOYSA-N 0 0 398.506 5.499 50 5 GKBARN Cc1ccc(Sc2ccc(/C=C3/C(=O)Nc4ccccc43)cc2[N+](=O)[O-])cc1 ZINC000003368347 570604899 /nfs/dbraw/zinc/60/48/99/570604899.db2.gz CTUUEQFFHYCPQP-LDADJPATSA-N 0 0 388.448 5.547 50 5 GKBARN O=[N+]([O-])c1ccc(CN2CCCn3cccc3[C@H]2c2cccc(Cl)c2)cc1 ZINC000036347518 570629237 /nfs/dbraw/zinc/62/92/37/570629237.db2.gz QZDCDKQQFNEVDV-OAQYLSRUSA-N 0 0 381.863 5.045 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2ccccc2F)c1 ZINC000036348431 570629540 /nfs/dbraw/zinc/62/95/40/570629540.db2.gz CTEGACQHEAPEND-NRFANRHFSA-N 0 0 399.853 5.184 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c(CN2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000036347634 570629550 /nfs/dbraw/zinc/62/95/50/570629550.db2.gz MUDJRCZDNQUKOY-OAQYLSRUSA-N 0 0 399.853 5.184 50 5 GKBARN Cc1ccccc1CN1CCCn2cccc2[C@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000036348440 570631353 /nfs/dbraw/zinc/63/13/53/570631353.db2.gz TTYDRCSAQRJIGW-JOCHJYFZSA-N 0 0 395.890 5.353 50 5 GKBARN Cc1ccccc1CN1CCCn2cccc2[C@@H]1c1cc([N+](=O)[O-])ccc1Cl ZINC000036348439 570631526 /nfs/dbraw/zinc/63/15/26/570631526.db2.gz TTYDRCSAQRJIGW-QFIPXVFZSA-N 0 0 395.890 5.353 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1N=[P@](c1ccncc1)(N1CCCC1)C(C)(C)C ZINC000005571076 570657078 /nfs/dbraw/zinc/65/70/78/570657078.db2.gz HQKZPHCQSYDNLQ-HHHXNRCGSA-N 0 0 386.436 5.266 50 5 GKBARN Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] ZINC000000853561 570662626 /nfs/dbraw/zinc/66/26/26/570662626.db2.gz FNVZWKZYNLFCOO-UHFFFAOYSA-N 0 0 381.240 5.677 50 5 GKBARN O=C(c1cc([N+](=O)[O-])ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 ZINC000004610871 570666267 /nfs/dbraw/zinc/66/62/67/570666267.db2.gz MPQIUNBOFURUTC-UHFFFAOYSA-N 0 0 380.831 5.091 50 5 GKBARN COc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c([N+](=O)[O-])c1 ZINC000004612053 570666950 /nfs/dbraw/zinc/66/69/50/570666950.db2.gz SCHFTTIPANJWOK-UHFFFAOYSA-N 0 0 376.821 5.032 50 5 GKBARN Cc1c2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2oc(=O)c1-c1ccccc1 ZINC000004340584 570675950 /nfs/dbraw/zinc/67/59/50/570675950.db2.gz UIQHVFIAFNTCIK-UHFFFAOYSA-N 0 0 387.391 5.256 50 5 GKBARN CCC(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000000868209 570677746 /nfs/dbraw/zinc/67/77/46/570677746.db2.gz GVQFNKGOHPNZRO-UHFFFAOYSA-N 0 0 375.380 5.211 50 5 GKBARN Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C)cc3)c2[N+](=O)[O-])cc1 ZINC000003080666 570680462 /nfs/dbraw/zinc/68/04/62/570680462.db2.gz NKPSJHUHKXJFIW-UHFFFAOYSA-N 0 0 379.459 7.213 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 ZINC000004357321 570697322 /nfs/dbraw/zinc/69/73/22/570697322.db2.gz OKGBKGWMJIONMS-UHFFFAOYSA-N 0 0 388.452 5.135 50 5 GKBARN Clc1ccc(-c2nn3c4cc(N5CCCC5)ccc4nc3c3ccccc32)cc1 ZINC000004622452 570698364 /nfs/dbraw/zinc/69/83/64/570698364.db2.gz BLLFXJNYIVLDPM-UHFFFAOYSA-N 0 0 398.897 5.956 50 5 GKBARN O=[N+]([O-])c1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccc(Cl)cc1 ZINC000004362459 570709183 /nfs/dbraw/zinc/70/91/83/570709183.db2.gz DDYLWOKHMMJEGN-UHFFFAOYSA-N 0 0 376.203 5.179 50 5 GKBARN Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000985442 570743424 /nfs/dbraw/zinc/74/34/24/570743424.db2.gz SEDCAASEJJLQPO-JOCHJYFZSA-N 0 0 392.480 5.592 50 5 GKBARN O=[N+]([O-])c1cccc(/C=C(/Sc2ccccc2)c2nc3ccccc3s2)c1 ZINC000004419751 570745372 /nfs/dbraw/zinc/74/53/72/570745372.db2.gz PQUBXLZPLQHLRP-XSFVSMFZSA-N 0 0 390.489 6.495 50 5 GKBARN CCN(c1ccccc1)c1cc(C)c([N+](=O)[O-])c(N(CC)c2ccccc2)n1 ZINC000007029625 570745858 /nfs/dbraw/zinc/74/58/58/570745858.db2.gz COUPWJNCEWWGAB-UHFFFAOYSA-N 0 0 376.460 5.614 50 5 GKBARN CC(=O)Nc1ccc(Oc2cc([N+](=O)[O-])cc3c2C=Cc2ccccc2O3)cc1 ZINC000001083559 570751730 /nfs/dbraw/zinc/75/17/30/570751730.db2.gz RTLNHQRDWIYLTA-UHFFFAOYSA-N 0 0 388.379 5.622 50 5 GKBARN O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCCCC1 ZINC000001099266 570752128 /nfs/dbraw/zinc/75/21/28/570752128.db2.gz JDLZXBMFZFAPSZ-UHFFFAOYSA-N 0 0 376.865 5.026 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 ZINC000001104855 570753471 /nfs/dbraw/zinc/75/34/71/570753471.db2.gz DNZVILKGXNTULD-UHFFFAOYSA-N 0 0 399.815 5.370 50 5 GKBARN CCc1ccccc1NC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000001121613 570754696 /nfs/dbraw/zinc/75/46/96/570754696.db2.gz CNADFUSGFDGDBT-UHFFFAOYSA-N 0 0 378.453 5.561 50 5 GKBARN CCc1ccccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1 ZINC000001122655 570754765 /nfs/dbraw/zinc/75/47/65/570754765.db2.gz HLKBIDYYDQGEQZ-UHFFFAOYSA-N 0 0 378.453 5.561 50 5 GKBARN O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1Cl)N1CCCCCC1 ZINC000001141107 570755235 /nfs/dbraw/zinc/75/52/35/570755235.db2.gz FTPNFLCOFFUVSZ-UHFFFAOYSA-N 0 0 390.892 5.416 50 5 GKBARN Cc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)ccc1[N+](=O)[O-] ZINC000001154995 570757688 /nfs/dbraw/zinc/75/76/88/570757688.db2.gz LEQWJGYOAKAKAS-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN CC1=Nc2c3ccccc3c3ccccc3c2O[C@]12N(C)c1ccccc1C2(C)C ZINC000096602720 570775147 /nfs/dbraw/zinc/77/51/47/570775147.db2.gz QESGDTGMVBLERI-HHHXNRCGSA-N 0 0 392.502 6.602 50 5 GKBARN Cc1ccc(Oc2nc(C)nc3scc(-c4cccs4)c32)c([N+](=O)[O-])n1 ZINC000015163755 570786447 /nfs/dbraw/zinc/78/64/47/570786447.db2.gz AXHAVNJHPTTZSJ-UHFFFAOYSA-N 0 0 384.442 5.132 50 5 GKBARN Cc1c(C)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c2oc1=O ZINC000001175748 570787411 /nfs/dbraw/zinc/78/74/11/570787411.db2.gz JOTNYALZTXDIRD-UHFFFAOYSA-N 0 0 393.317 5.438 50 5 GKBARN O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1ccc2ccccc2c1 ZINC000001202512 570793299 /nfs/dbraw/zinc/79/32/99/570793299.db2.gz ZYQDKIXSPGPDOI-UHFFFAOYSA-N 0 0 395.465 5.089 50 5 GKBARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1 ZINC000005674331 570795283 /nfs/dbraw/zinc/79/52/83/570795283.db2.gz HLULPTFLWNOVDY-LADGPHEKSA-N 0 0 399.450 5.400 50 5 GKBARN O=[N+]([O-])c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)c1 ZINC000005684875 570807981 /nfs/dbraw/zinc/80/79/81/570807981.db2.gz BYLAILFZUVIZPA-OAQYLSRUSA-N 0 0 377.831 5.604 50 5 GKBARN Cc1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1C ZINC000004659478 570809817 /nfs/dbraw/zinc/80/98/17/570809817.db2.gz OAMUJXNELJTRKS-ACCUITESSA-N 0 0 397.434 5.081 50 5 GKBARN O=[N+]([O-])c1ccc(N2CCCCC2)cc1NC(c1ccccc1)c1ccccc1 ZINC000004499389 570814047 /nfs/dbraw/zinc/81/40/47/570814047.db2.gz HHDZPVFZZNVJFM-UHFFFAOYSA-N 0 0 387.483 5.787 50 5 GKBARN O=C(CCC(=O)c1ccc2ccc3cccc4ccc1c2c34)NCc1ccccn1 ZINC000065474300 570822951 /nfs/dbraw/zinc/82/29/51/570822951.db2.gz SIGUAKRDIQMOBX-UHFFFAOYSA-N 0 0 392.458 5.258 50 5 GKBARN Cn1c(-c2cccc([N+](=O)[O-])c2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 ZINC000004678172 570823532 /nfs/dbraw/zinc/82/35/32/570823532.db2.gz VXXCKZJXVSYQRC-UHFFFAOYSA-N 0 0 387.226 5.222 50 5 GKBARN O=C(C[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCCCC1=O)c1ccccc1 ZINC000004531620 570846671 /nfs/dbraw/zinc/84/66/71/570846671.db2.gz PQHNRMHHPWDMLM-LEWJYISDSA-N 0 0 379.456 5.491 50 5 GKBARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2C=Cc1ccccc1[N+](=O)[O-] ZINC000102487144 570849617 /nfs/dbraw/zinc/84/96/17/570849617.db2.gz BIXQVCNQNAXCRR-DXRVJIQQSA-N 0 0 389.455 5.807 50 5 GKBARN Cc1cc2c(cc1C)N[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102648592 570855551 /nfs/dbraw/zinc/85/55/51/570855551.db2.gz UINKVUWGSKYZNT-QFIPXVFZSA-N 0 0 391.471 6.083 50 5 GKBARN C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1ccccc1 ZINC000004719695 570856905 /nfs/dbraw/zinc/85/69/05/570856905.db2.gz MCCDZVFPRDLZRM-HRAATJIYSA-N 0 0 387.439 5.187 50 5 GKBARN Cc1c(C)c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2oc1=O ZINC000004724985 570862871 /nfs/dbraw/zinc/86/28/71/570862871.db2.gz YODWRYZOLGINPX-UHFFFAOYSA-N 0 0 379.290 5.129 50 5 GKBARN O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000003458569 570870172 /nfs/dbraw/zinc/87/01/72/570870172.db2.gz LMDLVXBOMBDINL-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN O=[N+]([O-])c1ccc(N2C3=C(CCCC3)C(c3ccccc3)C3=C2CCCC3)cc1 ZINC000004728600 570883814 /nfs/dbraw/zinc/88/38/14/570883814.db2.gz HATNCIOUWURUHG-UHFFFAOYSA-N 0 0 386.495 6.855 50 5 GKBARN Nc1ccc(C(c2cccc([N+](=O)[O-])c2)c2ccc(N)c(Cl)c2)cc1Cl ZINC000004015916 570888825 /nfs/dbraw/zinc/88/88/25/570888825.db2.gz PKBXTLMPVLGSLD-UHFFFAOYSA-N 0 0 388.254 5.246 50 5 GKBARN O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)c1 ZINC000005729615 570908909 /nfs/dbraw/zinc/90/89/09/570908909.db2.gz PVNWPGBLDDBZGA-UHFFFAOYSA-N 0 0 375.815 5.972 50 5 GKBARN C[C@H](CC[C@H](COc1ccccc1[N+](=O)[O-])[C@@H](C)CC(C)(C)C)CC(C)(C)C ZINC000004582843 570910724 /nfs/dbraw/zinc/91/07/24/570910724.db2.gz VOWXGOGQMZSMGZ-HSALFYBXSA-N 0 0 391.596 7.515 50 5 GKBARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586190 570918125 /nfs/dbraw/zinc/91/81/25/570918125.db2.gz RCNBKVVOBVQFHN-IBGZPJMESA-N 0 0 397.434 5.072 50 5 biogenic GKBARN CCSc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000004585854 570919291 /nfs/dbraw/zinc/91/92/91/570919291.db2.gz YQKWZSCFFUODIX-UHFFFAOYSA-N 0 0 385.470 5.083 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)c1sc2cc(C)ccc2c1Cl ZINC000004917574 570939900 /nfs/dbraw/zinc/93/99/00/570939900.db2.gz QINLRFUDYHBWPT-UHFFFAOYSA-N 0 0 376.821 5.032 50 5 GKBARN Cc1cc(C)c(N2COc3c(C)c4oc(=O)c5ccccc5c4cc3C2)c(C)c1 ZINC000002119991 570953775 /nfs/dbraw/zinc/95/37/75/570953775.db2.gz AYZUYYCNIYPQFY-UHFFFAOYSA-N 0 0 385.463 5.536 50 5 biogenic GKBARN O=[N+]([O-])c1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)ccc1Cl ZINC000025782088 570958885 /nfs/dbraw/zinc/95/88/85/570958885.db2.gz RDGUKPMHFCXRJR-JXFKEZNVSA-N 0 0 395.802 5.084 50 5 GKBARN Clc1cc2c(cc1CSc1nc3ccccc3c3ccccc31)OCO2 ZINC000012139465 570960309 /nfs/dbraw/zinc/96/03/09/570960309.db2.gz RFTCOGXMJUQXAM-UHFFFAOYSA-N 0 0 379.868 6.062 50 5 GKBARN Cc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCCC1 ZINC000004757563 570964070 /nfs/dbraw/zinc/96/40/70/570964070.db2.gz PBGWSLCQYJXBPB-UHFFFAOYSA-N 0 0 387.867 5.189 50 5 GKBARN Cc1ccc(SC(=O)c2ccc(Oc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000002147748 570967555 /nfs/dbraw/zinc/96/75/55/570967555.db2.gz KHBJNGKTGJIGLO-UHFFFAOYSA-N 0 0 399.855 6.281 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1C1CCCCC1 ZINC000002151448 570972707 /nfs/dbraw/zinc/97/27/07/570972707.db2.gz FWCFQAOJOBDVQX-UHFFFAOYSA-N 0 0 399.796 7.107 50 5 GKBARN Cc1c(C(=O)COc2ccc3c(c2)oc(=O)c2ccccc32)c2ccccc2n1C ZINC000002151657 570972908 /nfs/dbraw/zinc/97/29/08/570972908.db2.gz GCESCSHVGCTLDA-UHFFFAOYSA-N 0 0 397.430 5.008 50 5 biogenic GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(C(F)(F)F)cc1 ZINC000002162692 570981739 /nfs/dbraw/zinc/98/17/39/570981739.db2.gz UQZCZWFOGUDXFU-UHFFFAOYSA-N 0 0 396.199 5.333 50 5 GKBARN Cc1cc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl ZINC000002162629 570982009 /nfs/dbraw/zinc/98/20/09/570982009.db2.gz XTDUSYWTCKISSR-UHFFFAOYSA-N 0 0 376.674 5.276 50 5 GKBARN O=C(Nc1ccc(F)cc1)OCc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000001405593 570982622 /nfs/dbraw/zinc/98/26/22/570982622.db2.gz WXOQGZFGHDDGDM-UHFFFAOYSA-N 0 0 398.415 5.634 50 5 GKBARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC(F)F ZINC000023227491 570988085 /nfs/dbraw/zinc/98/80/85/570988085.db2.gz LUIDMYQWUSGMLA-SNVBAGLBSA-N 0 0 384.429 5.029 50 5 GKBARN O=C(Oc1cc(Cl)cc([N+](=O)[O-])c1OCc1ccccc1)c1ccccc1 ZINC000043827661 570993768 /nfs/dbraw/zinc/99/37/68/570993768.db2.gz QUIUWTKZBFJJMP-UHFFFAOYSA-N 0 0 383.787 5.046 50 5 GKBARN O=C(Cc1ccc(NCc2cc([N+](=O)[O-])ccc2Cl)cc1)Nc1ccccc1 ZINC000037554844 571030874 /nfs/dbraw/zinc/03/08/74/571030874.db2.gz KFNFADWWEXHNLU-UHFFFAOYSA-N 0 0 395.846 5.042 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000017078242 210202228 /nfs/dbraw/zinc/20/22/28/210202228.db2.gz MGOJZAUQFVGHON-UHFFFAOYSA-N 0 0 383.234 5.625 50 5 GKBARN Cc1c(NC(=O)CSC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000008266615 209769099 /nfs/dbraw/zinc/76/90/99/209769099.db2.gz ONKYHEWBHNYDAV-UHFFFAOYSA-N 0 0 392.480 5.365 50 5 GKBARN CC(C)c1ccc(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc1 ZINC000005933558 209622745 /nfs/dbraw/zinc/62/27/45/209622745.db2.gz RWKIXBBUEPUXRU-UHFFFAOYSA-N 0 0 381.476 5.207 50 5 GKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOCc1ccccc1 ZINC000005245205 209583166 /nfs/dbraw/zinc/58/31/66/209583166.db2.gz UKQJRJQDGACDOO-UHFFFAOYSA-N 0 0 397.478 5.353 50 5 GKBARN Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)c([N+](=O)[O-])c1 ZINC000005094475 209569592 /nfs/dbraw/zinc/56/95/92/209569592.db2.gz XGMSQJKMAWBIIQ-UHFFFAOYSA-N 0 0 385.217 5.071 50 5 GKBARN C[C@@H](NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C12CC3CC(CC(C3)C1)C2 ZINC000005069374 209565809 /nfs/dbraw/zinc/56/58/09/209565809.db2.gz OZKGLELHFKPFDA-KWJFTMPMSA-N 0 0 394.471 5.190 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2ccccc2Cl)o1 ZINC000004990783 209556995 /nfs/dbraw/zinc/55/69/95/209556995.db2.gz KYJBPHHBSFQQAR-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000004550296 209495796 /nfs/dbraw/zinc/49/57/96/209495796.db2.gz LZMSYRHMDLBRBL-HWKANZROSA-N 0 0 385.634 5.515 50 5 GKBARN Cc1cc(C)cc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2)c1 ZINC000002881558 209395495 /nfs/dbraw/zinc/39/54/95/209395495.db2.gz BPTZWFDCJYUXDB-UHFFFAOYSA-N 0 0 396.830 5.910 50 5 GKBARN Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cccc1[N+](=O)[O-] ZINC000002843337 209390014 /nfs/dbraw/zinc/39/00/14/209390014.db2.gz FBCQIBMDROPOBN-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN O=C1NC(=S)SC1=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1 ZINC000002570914 209370204 /nfs/dbraw/zinc/37/02/04/209370204.db2.gz SHSOLTGELRGKFN-NTEUORMPSA-N 0 0 380.516 5.349 50 5 GKBARN O=C1Nc2ccccc2Oc2cc([N+](=O)[O-])cc(Oc3ccccc3Cl)c21 ZINC000002513596 209368064 /nfs/dbraw/zinc/36/80/64/209368064.db2.gz XPJYEDQXRJNECY-UHFFFAOYSA-N 0 0 382.759 5.399 50 5 GKBARN Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c3ccccc3cc3ccccc32)cc1C ZINC000002635251 209372104 /nfs/dbraw/zinc/37/21/04/209372104.db2.gz OXMKUYJALBZLNL-GOSISDBHSA-N 0 0 382.459 6.038 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1[N+](=O)[O-] ZINC000001513005 209332444 /nfs/dbraw/zinc/33/24/44/209332444.db2.gz WAUIMCWAYWLNRC-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN CCc1cc2c(cc1OC)oc(=O)cc2-c1cc2c(ccc3ccccc32)oc1=O ZINC000002096806 209346422 /nfs/dbraw/zinc/34/64/22/209346422.db2.gz IZVNNBYTXZFJBB-UHFFFAOYSA-N 0 0 398.414 5.291 50 5 biogenic GKBARN O=[N+]([O-])c1ccc(Cl)c(C2N(c3ccccc3)CCN2c2ccccc2)c1 ZINC000002070445 209344853 /nfs/dbraw/zinc/34/48/53/209344853.db2.gz SICVHKNUAWRKGC-UHFFFAOYSA-N 0 0 379.847 5.274 50 5 GKBARN O=[N+]([O-])c1ccc2c3c(cccc31)C/C2=C/c1ccc(OCc2ccccc2)cc1 ZINC000002027545 209343039 /nfs/dbraw/zinc/34/30/39/209343039.db2.gz SKAQHYUEDOVKMV-QNGOZBTKSA-N 0 0 393.442 6.424 50 5 GKBARN CCOC(=O)c1cnc2c3ccccc3ccc2c1Nc1ccc(N(C)C)cc1 ZINC000001777802 209339078 /nfs/dbraw/zinc/33/90/78/209339078.db2.gz IPUZYGYTPFCYET-UHFFFAOYSA-N 0 0 385.467 5.374 50 5 GKBARN CC(C)CN(CC(C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000001771034 209337957 /nfs/dbraw/zinc/33/79/57/209337957.db2.gz IGJQNZVMFLIFAI-UHFFFAOYSA-N 0 0 378.476 5.323 50 5 GKBARN O=C(O[C@H](c1ccccc1)c1nccc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000001448893 209329023 /nfs/dbraw/zinc/32/90/23/209329023.db2.gz CDZJZVDYUILCKW-JOCHJYFZSA-N 0 0 384.391 5.089 50 5 aggregator GKBARN O=C1c2cccc3c2c(ccc3[N+](=O)[O-])C(=O)N1c1ccccc1-c1ccccc1 ZINC000001214747 209314923 /nfs/dbraw/zinc/31/49/23/209314923.db2.gz ATMGULPBCGXIQB-UHFFFAOYSA-N 0 0 394.386 5.216 50 5 GKBARN O=[N+]([O-])c1ccc(-c2noc(-c3cc(-c4ccccc4)nc4ccccc43)n2)cc1 ZINC000001159731 209309100 /nfs/dbraw/zinc/30/91/00/209309100.db2.gz KSNZTLKAGRHVJC-UHFFFAOYSA-N 0 0 394.390 5.527 50 5 GKBARN Cc1c(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cccc1[N+](=O)[O-] ZINC000001153706 209307995 /nfs/dbraw/zinc/30/79/95/209307995.db2.gz SHWWJLUDOIFNMR-UHFFFAOYSA-N 0 0 391.358 5.103 50 5 GKBARN Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001146013 209306317 /nfs/dbraw/zinc/30/63/17/209306317.db2.gz ZWVZVYMFFYLSKH-UTKZUKDTSA-N 0 0 386.451 5.474 50 5 GKBARN CC(=O)Nc1ccc2nc(SCc3c(Cl)cccc3[N+](=O)[O-])sc2c1 ZINC000001137828 209305609 /nfs/dbraw/zinc/30/56/09/209305609.db2.gz JIILCLISLBIQJT-UHFFFAOYSA-N 0 0 393.877 5.109 50 5 GKBARN O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001114018 209302464 /nfs/dbraw/zinc/30/24/64/209302464.db2.gz YVNIIWNLJPYKMU-UHFFFAOYSA-N 0 0 394.858 5.200 50 5 GKBARN O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1cccc2cccnc21 ZINC000001108818 209300927 /nfs/dbraw/zinc/30/09/27/209300927.db2.gz NSELLQLDIWYWNP-UHFFFAOYSA-N 0 0 394.390 5.546 50 5 GKBARN O=C(c1c(F)cccc1Cl)n1c2ccc(F)cc2c2nc3ccccc3nc21 ZINC000001043423 209292918 /nfs/dbraw/zinc/29/29/18/209292918.db2.gz LMILFULQWMJWAG-UHFFFAOYSA-N 0 0 393.780 5.358 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)n3nc(-c4cccs4)cc3n2)c1 ZINC000001040229 209292460 /nfs/dbraw/zinc/29/24/60/209292460.db2.gz MUQXJIHPGMSBSC-UHFFFAOYSA-N 0 0 390.346 5.052 50 5 GKBARN O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cc(Cl)ccc1Cl ZINC000000996619 209287961 /nfs/dbraw/zinc/28/79/61/209287961.db2.gz ZEJISTDCOXXEPR-UHFFFAOYSA-N 0 0 394.239 5.277 50 5 GKBARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000000849828 209271569 /nfs/dbraw/zinc/27/15/69/209271569.db2.gz LDONLUZOKCSXAX-OXJNMPFZSA-N 0 0 387.439 5.187 50 5 GKBARN C[C@H]1CN(C(=O)c2ccccc2)O[C@H](c2c3ccccc3cc3ccccc32)O1 ZINC000000708791 209260175 /nfs/dbraw/zinc/26/01/75/209260175.db2.gz FCIFTQKVZPMRPF-SSOJOUAXSA-N 0 0 383.447 5.484 50 5 GKBARN Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccc([N+](=O)[O-])cc3)c2c1 ZINC000002062936 212263241 /nfs/dbraw/zinc/26/32/41/212263241.db2.gz DCDQOOXOCBKDCZ-UHFFFAOYSA-N 0 0 386.367 5.089 50 5 GKBARN CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cccc([N+](=O)[O-])c1O2 ZINC000002025702 212262333 /nfs/dbraw/zinc/26/23/33/212262333.db2.gz LUMZEEBSMVLNLO-XMMPIXPASA-N 0 0 384.435 5.826 50 5 GKBARN CC(C)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000001935273 212260459 /nfs/dbraw/zinc/26/04/59/212260459.db2.gz MIEMTYPHIWTKEE-LFYBBSHMSA-N 0 0 393.468 5.494 50 5 GKBARN Oc1ccc(Br)cc1-c1nc2ccc3ccccc3c2c2c1CCC2 ZINC000001837651 212257568 /nfs/dbraw/zinc/25/75/68/212257568.db2.gz AYBVWQFBEMASNE-UHFFFAOYSA-N 0 0 390.280 6.012 50 5 GKBARN C[C@]12CC[C@@H]3c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4CC[C@@H]3[C@H]1CC[C@H]2O ZINC000252428739 209217381 /nfs/dbraw/zinc/21/73/81/209217381.db2.gz XZTBAORMDUNJQT-HUUMMWPTSA-N 0 0 393.483 5.604 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC000001234437 212232961 /nfs/dbraw/zinc/23/29/61/212232961.db2.gz PMEIIPJPQHVMQU-SFHVURJKSA-N 0 0 392.842 5.193 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001216549 212229813 /nfs/dbraw/zinc/22/98/13/212229813.db2.gz WVTJYJLSLTZNSB-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN O=[N+]([O-])c1ccc(/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 ZINC000001197001 212228175 /nfs/dbraw/zinc/22/81/75/212228175.db2.gz DDRAKHJACOZDIJ-DHZHZOJOSA-N 0 0 375.359 5.350 50 5 GKBARN O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001204072 212228004 /nfs/dbraw/zinc/22/80/04/212228004.db2.gz UNJMPTSTBHSHCU-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000001177743 212225939 /nfs/dbraw/zinc/22/59/39/212225939.db2.gz OUFOYPRTPACSLK-HXUWFJFHSA-N 0 0 393.830 5.328 50 5 GKBARN O=[N+]([O-])c1cc(-c2nc(-c3ccccc3)c(-c3cccs3)[nH]2)ccc1Cl ZINC000001176277 212226053 /nfs/dbraw/zinc/22/60/53/212226053.db2.gz QFYCANGSYNRGEN-UHFFFAOYSA-N 0 0 381.844 6.034 50 5 GKBARN CC(=O)c1cccc(OC(=O)c2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1 ZINC000001146636 212223088 /nfs/dbraw/zinc/22/30/88/212223088.db2.gz DYSYFLMQQUMHMF-UHFFFAOYSA-N 0 0 393.420 5.168 50 5 GKBARN Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001146011 212222661 /nfs/dbraw/zinc/22/26/61/212222661.db2.gz ZWVZVYMFFYLSKH-DYESRHJHSA-N 0 0 386.451 5.474 50 5 GKBARN O=C(OCc1ccc(Cl)cc1)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000001106166 212217876 /nfs/dbraw/zinc/21/78/76/212217876.db2.gz REYBNSDJYAXHRO-UHFFFAOYSA-N 0 0 383.787 5.398 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc21)c1ccc(F)cc1 ZINC000001089565 212216111 /nfs/dbraw/zinc/21/61/11/212216111.db2.gz RZKDJYUTBVNJSI-UHFFFAOYSA-N 0 0 376.343 5.399 50 5 GKBARN Cc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccc(C)cc2O3)cc1 ZINC000001071839 212214282 /nfs/dbraw/zinc/21/42/82/212214282.db2.gz PGHQEOQDONAMFA-UHFFFAOYSA-N 0 0 376.368 5.362 50 5 biogenic GKBARN O=C(Oc1ccc2ccccc2c1C1SCCS1)c1ccc([N+](=O)[O-])o1 ZINC000001047313 212210214 /nfs/dbraw/zinc/21/02/14/212210214.db2.gz YSVWPVLNJVJVKQ-UHFFFAOYSA-N 0 0 387.438 5.039 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2ncnc3sc(-c4ccccc4)cc32)cc1 ZINC000000955540 212200296 /nfs/dbraw/zinc/20/02/96/212200296.db2.gz MJQPOIPQXNAOKA-UHFFFAOYSA-N 0 0 379.466 5.559 50 5 GKBARN Cc1ccc2nc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])o4)cc3)sc2c1 ZINC000000830431 212186718 /nfs/dbraw/zinc/18/67/18/212186718.db2.gz MTSFXZMBBFIOST-UHFFFAOYSA-N 0 0 379.397 5.025 50 5 GKBARN O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000000668502 212171383 /nfs/dbraw/zinc/17/13/83/212171383.db2.gz LHPYNNPFOPJFQG-UHFFFAOYSA-N 0 0 394.858 5.200 50 5 GKBARN O=[N+]([O-])c1c2ccccc2c2ccccc2c1-c1cc2ccccc2c2ccccc21 ZINC000002173589 212102068 /nfs/dbraw/zinc/10/20/68/212102068.db2.gz YOZZJKPNSLNCAJ-UHFFFAOYSA-N 0 0 399.449 7.875 50 5 GKBARN Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000299804373 212040471 /nfs/dbraw/zinc/04/04/71/212040471.db2.gz XZJOUSYWHXOAAK-GGAORHGYSA-N 0 0 385.423 5.146 50 5 GKBARN c1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc3ccc4ncccc4c32)cc1 ZINC000000850327 203859295 /nfs/dbraw/zinc/85/92/95/203859295.db2.gz QXJVTTFXSJVTGG-UHFFFAOYSA-N 0 0 376.415 5.846 50 5 GKBARN CC(=O)Nc1ccc(OCc2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001074615 203881230 /nfs/dbraw/zinc/88/12/30/203881230.db2.gz PJBGQGLOVIKGCM-UHFFFAOYSA-N 0 0 394.452 5.283 50 5 GKBARN Cc1cccc(-n2c3c(c(=S)nc2-c2cccc([N+](=O)[O-])c2)CCCC3)c1 ZINC000001109143 203885079 /nfs/dbraw/zinc/88/50/79/203885079.db2.gz YJYFZTLPIVOOLQ-UHFFFAOYSA-N 0 0 377.469 5.364 50 5 GKBARN COc1cc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)cc(OC)c1OC ZINC000001601409 203915189 /nfs/dbraw/zinc/91/51/89/203915189.db2.gz HJKHUXIRAQHSMH-UHFFFAOYSA-N 0 0 384.435 5.562 50 5 GKBARN CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1Cc1ccc([N+](=O)[O-])cc1 ZINC000001796832 203919697 /nfs/dbraw/zinc/91/96/97/203919697.db2.gz WXERNAPBFUESED-RUZDIDTESA-N 0 0 386.495 6.090 50 5 GKBARN O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000001233950 203899266 /nfs/dbraw/zinc/89/92/66/203899266.db2.gz BNKLIYACMLCYBU-UHFFFAOYSA-N 0 0 375.409 5.124 50 5 GKBARN O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1SCc1ccccc1 ZINC000002839080 203967498 /nfs/dbraw/zinc/96/74/98/203967498.db2.gz GUPIAYPPIPZBRZ-UHFFFAOYSA-N 0 0 379.437 5.244 50 5 GKBARN O=C1S/C(=C\c2c3ccccc3cc3ccccc32)C(=O)N1c1ccccc1 ZINC000002904463 203972920 /nfs/dbraw/zinc/97/29/20/203972920.db2.gz KKNJRNLGIOHFME-JCMHNJIXSA-N 0 0 381.456 6.234 50 5 GKBARN Clc1ccc(CSc2nc3ccccc3c3nc4ccccc4n32)cc1 ZINC000002970600 203977170 /nfs/dbraw/zinc/97/71/70/203977170.db2.gz QFXHJNNSGIMDSG-UHFFFAOYSA-N 0 0 375.884 5.981 50 5 GKBARN Cc1nc2oc3ccc(Cl)cc3c(=O)c2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000003027708 203982640 /nfs/dbraw/zinc/98/26/40/203982640.db2.gz OIWFSUNRXZDOGR-UHFFFAOYSA-N 0 0 399.233 5.209 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1 ZINC000004324452 204037576 /nfs/dbraw/zinc/03/75/76/204037576.db2.gz NVTLULUUOSTOCF-CVDCTZTESA-N 0 0 386.476 6.125 50 5 GKBARN O=c1c2ccccc2c2nc3ccccc3sc-2c1Oc1ccc(Cl)cc1 ZINC000004343553 204039712 /nfs/dbraw/zinc/03/97/12/204039712.db2.gz NQNCHBNSKLGGCE-UHFFFAOYSA-N 0 0 389.863 6.360 50 5 GKBARN O=c1c2ccc(Cl)cc2nc2cc(-c3ccccc3)c(-c3ccccc3)nn21 ZINC000004718097 204067927 /nfs/dbraw/zinc/06/79/27/204067927.db2.gz BFUYXUDPUVSFHM-UHFFFAOYSA-N 0 0 383.838 5.230 50 5 GKBARN CCCCC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C ZINC000004795767 204076980 /nfs/dbraw/zinc/07/69/80/204076980.db2.gz JOYQCKWOUIDFHD-UHFFFAOYSA-N 0 0 394.543 5.886 50 5 GKBARN Cc1ccc(Nc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(Cl)cn32)cc1 ZINC000004794040 204077053 /nfs/dbraw/zinc/07/70/53/204077053.db2.gz DMUBZAGJPLAAGJ-UHFFFAOYSA-N 0 0 378.819 5.615 50 5 GKBARN COc1ccccc1-c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c2ccccc2n1 ZINC000004902174 204088150 /nfs/dbraw/zinc/08/81/50/204088150.db2.gz WNXDMRMVGCLNQF-UHFFFAOYSA-N 0 0 399.406 5.071 50 5 GKBARN Cc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004402359 204043785 /nfs/dbraw/zinc/04/37/85/204043785.db2.gz XHDZZNNAKUQPBX-QFIPXVFZSA-N 0 0 375.403 5.398 50 5 GKBARN O=C(C[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCCCC1=O)c1ccccc1 ZINC000004531619 204051052 /nfs/dbraw/zinc/05/10/52/204051052.db2.gz PQHNRMHHPWDMLM-SFTDATJTSA-N 0 0 379.456 5.491 50 5 GKBARN O=C(C[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CCCCCCC1=O)c1ccccc1 ZINC000004531621 204051152 /nfs/dbraw/zinc/05/11/52/204051152.db2.gz PQHNRMHHPWDMLM-NHCUHLMSSA-N 0 0 379.456 5.491 50 5 GKBARN Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000004523785 204051283 /nfs/dbraw/zinc/05/12/83/204051283.db2.gz FARIPWVKLVNFBJ-UHFFFAOYSA-N 0 0 395.462 6.354 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000004524484 204051435 /nfs/dbraw/zinc/05/14/35/204051435.db2.gz XYOXZOMYSJLXHO-HXUWFJFHSA-N 0 0 394.452 5.076 50 5 GKBARN O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Oc2ccccc2)cc1 ZINC000005190542 204118567 /nfs/dbraw/zinc/11/85/67/204118567.db2.gz SIEXEYHKEWKMSS-OAQYLSRUSA-N 0 0 392.436 5.166 50 5 GKBARN O=[N+]([O-])c1ccc(-c2[nH]nc(-c3ccccc3)c2-c2ccc3ccccc3n2)cc1 ZINC000005266868 204123602 /nfs/dbraw/zinc/12/36/02/204123602.db2.gz IYDKUGRDVMJCKI-UHFFFAOYSA-N 0 0 392.418 5.867 50 5 GKBARN O=C(Oc1ccccc1)c1cc2ccccc2cc1Oc1ccc([N+](=O)[O-])cc1 ZINC000005938970 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C[C@H](Sc1nc2ccccc2s1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000006840812 204215285 /nfs/dbraw/zinc/21/52/85/204215285.db2.gz XUUWEPWHONMSFI-JTQLQIEISA-N 0 0 384.442 5.108 50 5 GKBARN CCCCCCNC(=O)C[C@H](c1c[nH]c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000006739542 204198261 /nfs/dbraw/zinc/19/82/61/204198261.db2.gz CYGYSYUNPHXPHJ-FQEVSTJZSA-N 0 0 393.487 5.295 50 5 GKBARN Cc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1[N+](=O)[O-] ZINC000008042051 204261074 /nfs/dbraw/zinc/26/10/74/204261074.db2.gz YFFYZZZVCQXDPH-UHFFFAOYSA-N 0 0 379.441 5.042 50 5 GKBARN CC[C@H](C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000009866842 204326280 /nfs/dbraw/zinc/32/62/80/204326280.db2.gz OEIUNUWYYFPUCA-QWHCGFSZSA-N 0 0 376.840 5.168 50 5 GKBARN CC(C)(C)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 ZINC000011246871 204344453 /nfs/dbraw/zinc/34/44/53/204344453.db2.gz BXYKCWWYNAIAKS-UHFFFAOYSA-N 0 0 384.479 5.091 50 5 GKBARN CCCC(=O)Oc1cn(CC(C)C)c2nc(CCC)n3c4ccccc4nc3c12 ZINC000013238023 204485796 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GKBARN Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000004542781 209138335 /nfs/dbraw/zinc/13/83/35/209138335.db2.gz TZYIMHXZRMMKRW-PKNBQFBNSA-N 0 0 382.803 5.469 50 5 GKBARN Fc1c(F)c(Nc2ccc(Cl)cc2)c(F)c2nc3ccc(Cl)cc3cc12 ZINC000005242725 209122063 /nfs/dbraw/zinc/12/20/63/209122063.db2.gz JNRBHHDSGZKNLA-UHFFFAOYSA-N 0 0 393.195 6.856 50 5 GKBARN CC[C@](C)(c1ccccc1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000003136884 205270742 /nfs/dbraw/zinc/27/07/42/205270742.db2.gz SBZYRHILNUSTDD-LADGPHEKSA-N 0 0 389.451 5.861 50 5 GKBARN O=[N+]([O-])c1c(Sc2ccccc2)sc(Sc2ccccc2)c1[N+](=O)[O-] ZINC000100380489 205607807 /nfs/dbraw/zinc/60/78/07/205607807.db2.gz NVAUCJFYRZMBND-UHFFFAOYSA-N 0 0 390.467 5.867 50 5 GKBARN Cc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000001098181 205706755 /nfs/dbraw/zinc/70/67/55/205706755.db2.gz AXTSOXSNSLPHHI-HXUWFJFHSA-N 0 0 390.870 6.205 50 5 GKBARN COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000015203586 211708938 /nfs/dbraw/zinc/70/89/38/211708938.db2.gz SCJQESKUHRFELM-SFHVURJKSA-N 0 0 388.851 5.014 50 5 GKBARN O=[N+]([O-])c1cccc2nc(/C=C/c3ccccc3OCc3ccccc3)ccc21 ZINC000032665930 206090595 /nfs/dbraw/zinc/09/05/95/206090595.db2.gz DQTASZHVRAELBS-BUHFOSPRSA-N 0 0 382.419 5.892 50 5 GKBARN Fc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3ccc4ccccc4c32)cc1 ZINC000096602322 206122847 /nfs/dbraw/zinc/12/28/47/206122847.db2.gz QIEZCNNQCFMRQJ-UHFFFAOYSA-N 0 0 383.853 7.515 50 5 GKBARN c1ccc(-c2cc3ccccc3c3c(-c4ccccc4)cc4ccccc4c23)cc1 ZINC000071785350 206209400 /nfs/dbraw/zinc/20/94/00/206209400.db2.gz NWVHRCVJSYNGKL-UHFFFAOYSA-N 0 0 380.490 8.480 50 5 GKBARN Cc1cc(C(C)(C)C)ccc1SC(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000001753331 206248235 /nfs/dbraw/zinc/24/82/35/206248235.db2.gz FZPIJFNFUZEFEW-UHFFFAOYSA-N 0 0 378.881 6.178 50 5 GKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1ccccc1 ZINC000000755512 211606635 /nfs/dbraw/zinc/60/66/35/211606635.db2.gz APJTVUBTWXKFSD-UHFFFAOYSA-N 0 0 380.831 5.091 50 5 GKBARN Cc1ccc(Cl)cc1NC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl ZINC000000672791 206315315 /nfs/dbraw/zinc/31/53/15/206315315.db2.gz WUYTUWRGCROGAZ-UHFFFAOYSA-N 0 0 381.240 5.677 50 5 GKBARN COc1ccc(-c2nc3c([nH]2)c2ccccc2c2ccccc32)c(OC)c1OC ZINC000000677275 206315758 /nfs/dbraw/zinc/31/57/58/206315758.db2.gz CYKKNOBCVOLELX-UHFFFAOYSA-N 0 0 384.435 5.562 50 5 GKBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1[N+](=O)[O-] ZINC000000841524 206326892 /nfs/dbraw/zinc/32/68/92/206326892.db2.gz LSNCOICIYGVEBB-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1[N+](=O)[O-] ZINC000000849830 206327586 /nfs/dbraw/zinc/32/75/86/206327586.db2.gz LDONLUZOKCSXAX-JXFKEZNVSA-N 0 0 387.439 5.187 50 5 GKBARN Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])ccc1Cl ZINC000000868203 206329639 /nfs/dbraw/zinc/32/96/39/206329639.db2.gz DZZIQLYESOKUPY-UHFFFAOYSA-N 0 0 391.814 5.959 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 ZINC000000934709 206334659 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C[C@H](Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000001145228 206359728 /nfs/dbraw/zinc/35/97/28/206359728.db2.gz RMHRQCXMNYKKNE-VIFPVBQESA-N 0 0 380.187 5.092 50 5 GKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1c2ccccc2CCc2ccccc21 ZINC000001166946 206361955 /nfs/dbraw/zinc/36/19/55/206361955.db2.gz AAWFJQAJFXEERD-UHFFFAOYSA-N 0 0 378.815 5.325 50 5 GKBARN CCOc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 ZINC000001161341 206362297 /nfs/dbraw/zinc/36/22/97/206362297.db2.gz QUHYWFGPMOEMML-CJLVFECKSA-N 0 0 388.423 5.173 50 5 GKBARN C[C@@H]1C[C@@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 ZINC000001181737 206363928 /nfs/dbraw/zinc/36/39/28/206363928.db2.gz JZBUSWXHRCFISV-OPAMFIHVSA-N 0 0 387.439 5.187 50 5 GKBARN O=C(Nc1ccccc1C(F)(F)F)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001185473 206365567 /nfs/dbraw/zinc/36/55/67/206365567.db2.gz VOKPEMGNRYKVBG-UHFFFAOYSA-N 0 0 376.290 5.126 50 5 GKBARN CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1 ZINC000001198330 206366252 /nfs/dbraw/zinc/36/62/52/206366252.db2.gz FCXZZVBLLPBMFX-UHFFFAOYSA-N 0 0 393.443 5.262 50 5 GKBARN O=C1S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000001207089 206366626 /nfs/dbraw/zinc/36/66/26/206366626.db2.gz MPCBMPLPEWVZQJ-PDGQHHTCSA-N 0 0 392.392 5.096 50 5 GKBARN CCSc1nnc2c3sc4nc(C(C)C)c5c(c4c3ncn12)CCCC5 ZINC000001247149 206371011 /nfs/dbraw/zinc/37/10/11/206371011.db2.gz NWVMZBKYVIJQPQ-UHFFFAOYSA-N 0 0 383.546 5.001 50 5 GKBARN COc1ccc(-c2nc3ccc4ccccc4c3c3c2C(=O)c2ccccc2-3)cc1 ZINC000001841268 206393291 /nfs/dbraw/zinc/39/32/91/206393291.db2.gz HYBFESLMUSCKTP-UHFFFAOYSA-N 0 0 387.438 6.275 50 5 GKBARN O=C1c2ccccc2-c2c1c(-c1ccc(Cl)cc1)nc1ccc3ccccc3c21 ZINC000002026057 206395455 /nfs/dbraw/zinc/39/54/55/206395455.db2.gz HMVHXLLTCAOEHJ-UHFFFAOYSA-N 0 0 391.857 6.920 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c1 ZINC000002029987 206395907 /nfs/dbraw/zinc/39/59/07/206395907.db2.gz URKRZEHNDCCHAN-UHFFFAOYSA-N 0 0 376.415 6.630 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002979482 206450854 /nfs/dbraw/zinc/45/08/54/206450854.db2.gz RLLOCTDAKZDJJV-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN C/C=C/c1ccc(OCCCCOc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1 ZINC000002985533 206450863 /nfs/dbraw/zinc/45/08/63/206450863.db2.gz CJJWSRNORSYHJM-ZZXKWVIFSA-N 0 0 391.851 5.528 50 5 GKBARN O=C(OC1CCCCC1)c1ccc(SCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000003020027 206453333 /nfs/dbraw/zinc/45/33/33/206453333.db2.gz XLALDFHIKPVQMB-UHFFFAOYSA-N 0 0 389.448 5.516 50 5 GKBARN COc1cc2c(cc1NC(=O)c1cccc([N+](=O)[O-])c1C)oc1ccccc12 ZINC000003567068 206487601 /nfs/dbraw/zinc/48/76/01/206487601.db2.gz QYTLRVWZJUAWQZ-UHFFFAOYSA-N 0 0 376.368 5.064 50 5 aggregator GKBARN CCc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccc(F)cc3)C2)cc1 ZINC000004257803 206510558 /nfs/dbraw/zinc/51/05/58/206510558.db2.gz DJFYUXRIWMYEAJ-QHCPKHFHSA-N 0 0 389.430 5.652 50 5 GKBARN Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004595377 206533451 /nfs/dbraw/zinc/53/34/51/206533451.db2.gz DNIXNNDPVNXPJK-FQEVSTJZSA-N 0 0 386.451 5.156 50 5 GKBARN O=[N+]([O-])c1c2nonc2c(Cl)cc1Nc1ccc(Cl)cc1C(F)(F)F ZINC000004836852 206560460 /nfs/dbraw/zinc/56/04/60/206560460.db2.gz RVAIKOIEWJORRC-UHFFFAOYSA-N 0 0 393.108 5.200 50 5 GKBARN CC(C)(C)c1ccc(-c2nnc(Sc3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000004986117 206580355 /nfs/dbraw/zinc/58/03/55/206580355.db2.gz YAKZKHGJRBWVEY-UHFFFAOYSA-N 0 0 389.864 5.747 50 5 GKBARN O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000000824622 211489764 /nfs/dbraw/zinc/48/97/64/211489764.db2.gz LPQOSLPJDYSROL-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN Cc1sc(Nc2cccc([N+](=O)[O-])c2)nc1-c1ccc(Br)cc1 ZINC000067322064 211007848 /nfs/dbraw/zinc/00/78/48/211007848.db2.gz AMANILHFBAGRKS-UHFFFAOYSA-N 0 0 390.262 5.533 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 ZINC000064984873 210958918 /nfs/dbraw/zinc/95/89/18/210958918.db2.gz HYIBPEDZBZHTAG-LJQANCHMSA-N 0 0 383.448 5.061 50 5 GKBARN O=[N+]([O-])c1cc2sc(-c3ccccc3)cc2c(SCc2ccccc2)c1 ZINC000015084469 207047844 /nfs/dbraw/zinc/04/78/44/207047844.db2.gz JUKIUGCQXALMSG-UHFFFAOYSA-N 0 0 377.490 6.769 50 5 GKBARN O=[N+]([O-])c1cccc(-c2c[nH]c(=S)n2-c2ccc(OC(F)(F)F)cc2)c1 ZINC000026423054 207312963 /nfs/dbraw/zinc/31/29/63/207312963.db2.gz YQAYNQXTLJUBMG-UHFFFAOYSA-N 0 0 381.335 5.009 50 5 GKBARN Cc1ccc(-c2nc3ccccc3c(Nc3ccc([N+](=O)[O-])cc3Cl)n2)cc1 ZINC000027534355 207327448 /nfs/dbraw/zinc/32/74/48/207327448.db2.gz RRJYSTKFGCAFLP-UHFFFAOYSA-N 0 0 390.830 5.910 50 5 GKBARN Cc1c(CSc2nn(-c3ccccc3)c(=S)s2)cccc1[N+](=O)[O-] ZINC000040127263 207343204 /nfs/dbraw/zinc/34/32/04/207343204.db2.gz GRQDQMQRCLCGOX-UHFFFAOYSA-N 0 0 375.500 5.172 50 5 GKBARN C[C@@H](Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1 ZINC000040158461 207358190 /nfs/dbraw/zinc/35/81/90/207358190.db2.gz IVEAJTTXRAEISW-OAHLLOKOSA-N 0 0 376.416 5.412 50 5 GKBARN CCc1cc(Oc2ccc(C)c(C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350228 207524388 /nfs/dbraw/zinc/52/43/88/207524388.db2.gz WLACSOUNVVUNEI-UHFFFAOYSA-N 0 0 395.484 5.649 50 5 GKBARN CC[C@@](C)(c1ccccc1)[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000003136883 207923041 /nfs/dbraw/zinc/92/30/41/207923041.db2.gz SBZYRHILNUSTDD-UPVQGACJSA-N 0 0 389.451 5.861 50 5 GKBARN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1-c1ccccc1 ZINC000071770127 207960996 /nfs/dbraw/zinc/96/09/96/207960996.db2.gz JVDDYHALFJFQEE-UHFFFAOYSA-N 0 0 395.414 6.285 50 5 GKBARN O=[N+]([O-])c1cccc(-c2nc(-c3cccc(OCc4ccc(F)cc4)c3)no2)c1 ZINC000096281017 208302972 /nfs/dbraw/zinc/30/29/72/208302972.db2.gz VHVQAKOOBFMWIK-UHFFFAOYSA-N 0 0 391.358 5.030 50 5 GKBARN O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001170337 208708715 /nfs/dbraw/zinc/70/87/15/208708715.db2.gz LIQLNXDEANFALO-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl ZINC000004583047 208809294 /nfs/dbraw/zinc/80/92/94/208809294.db2.gz AWMMZRVFRCHKLN-UHFFFAOYSA-N 0 0 395.029 5.852 50 5 GKBARN Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000001045087 220474868 /nfs/dbraw/zinc/47/48/68/220474868.db2.gz OCVFYWNXMPQBJZ-NRFANRHFSA-N 0 0 378.453 5.283 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(OCc2ccccc2)cc1 ZINC000002151352 220507196 /nfs/dbraw/zinc/50/71/96/220507196.db2.gz ABZPJFIBUPMSEZ-UHFFFAOYSA-N 0 0 389.329 5.985 50 5 GKBARN CC(C)COc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)cc1 ZINC000002198191 220509071 /nfs/dbraw/zinc/50/90/71/220509071.db2.gz UYGBFWZBVWNKKM-UHFFFAOYSA-N 0 0 381.479 5.821 50 5 GKBARN CC(=O)c1cccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])c1 ZINC000002333548 220524450 /nfs/dbraw/zinc/52/44/50/220524450.db2.gz NQCBEMVUMWHROO-UHFFFAOYSA-N 0 0 385.379 5.200 50 5 GKBARN COc1cc2c(cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)oc1ccccc12 ZINC000002735926 220557542 /nfs/dbraw/zinc/55/75/42/220557542.db2.gz UGCPOIORYMWYQW-MDZDMXLPSA-N 0 0 388.379 5.155 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Sc1cccc2cccnc21 ZINC000002674881 220552875 /nfs/dbraw/zinc/55/28/75/220552875.db2.gz CFSUGXYLNJNWIU-UHFFFAOYSA-N 0 0 395.318 5.221 50 5 GKBARN O=C(O[C@@H](c1ccccc1)c1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000002708469 220554473 /nfs/dbraw/zinc/55/44/73/220554473.db2.gz HFVLOHGJGZNURS-QFIPXVFZSA-N 0 0 384.391 5.089 50 5 GKBARN O=[N+]([O-])c1cccc([C@H]2C[C@H](c3ccccc3F)n3c4ccccc4nc3N2)c1 ZINC000002918749 220583485 /nfs/dbraw/zinc/58/34/85/220583485.db2.gz RXNDBGJUJJPBNN-TZIWHRDSSA-N 0 0 388.402 5.230 50 5 GKBARN CCc1ccc(Nc2nnc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1 ZINC000002953668 220589458 /nfs/dbraw/zinc/58/94/58/220589458.db2.gz GSXZFAWDMHIPKO-UHFFFAOYSA-N 0 0 399.475 5.771 50 5 GKBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1NCCc1ccccc1 ZINC000004014322 220671721 /nfs/dbraw/zinc/67/17/21/220671721.db2.gz NDUQGQYLYKZCSJ-UHFFFAOYSA-N 0 0 395.846 5.155 50 5 GKBARN Cc1ccccc1NC(=O)c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000004050028 220674852 /nfs/dbraw/zinc/67/48/52/220674852.db2.gz OKRDDYXVNWQLBJ-UHFFFAOYSA-N 0 0 398.871 5.960 50 5 GKBARN O=C(Nc1nc(-c2ccccc2)cs1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004194495 220692749 /nfs/dbraw/zinc/69/27/49/220692749.db2.gz VUOCOMHOHHKOMP-UHFFFAOYSA-N 0 0 381.438 5.185 50 5 GKBARN CCc1ccccc1NC(=O)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000004668207 220744206 /nfs/dbraw/zinc/74/42/06/220744206.db2.gz TXXHIOHPHHBEIA-UHFFFAOYSA-N 0 0 393.418 5.161 50 5 GKBARN O=[N+]([O-])c1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(F)cc4c32)c1 ZINC000004969904 220801788 /nfs/dbraw/zinc/80/17/88/220801788.db2.gz ARGFEEHDXQCGLS-UHFFFAOYSA-N 0 0 384.370 5.288 50 5 GKBARN COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2[N+](=O)[O-])oc1C ZINC000005033200 220815373 /nfs/dbraw/zinc/81/53/73/220815373.db2.gz WHVXJZIRKHIWDX-UHFFFAOYSA-N 0 0 386.791 5.078 50 5 GKBARN O=[N+]([O-])c1ccc(Oc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc1 ZINC000005184914 220841658 /nfs/dbraw/zinc/84/16/58/220841658.db2.gz LGRXXECYNBTCND-UHFFFAOYSA-N 0 0 377.787 5.651 50 5 GKBARN COc1ccc(Cn2c3nc4ccccc4nc3c3c2c(C)ccc3C)cc1OC ZINC000005271855 220854427 /nfs/dbraw/zinc/85/44/27/220854427.db2.gz WURRJNTWDBNGON-UHFFFAOYSA-N 0 0 397.478 5.420 50 5 GKBARN O=c1c2cc(Cl)ccc2oc2nc(-c3ccco3)n3c4ccccc4nc3c12 ZINC000005208321 220843900 /nfs/dbraw/zinc/84/39/00/220843900.db2.gz PQMSYPPZSSQHMA-UHFFFAOYSA-N 0 0 387.782 5.056 50 5 GKBARN CCOc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc32)cc1 ZINC000006648915 220946269 /nfs/dbraw/zinc/94/62/69/220946269.db2.gz IILALLGRKPGGDC-UHFFFAOYSA-N 0 0 384.431 5.431 50 5 GKBARN COc1cc(C2SCCS2)ccc1Oc1ccc([N+](=O)[O-])cc1Cl ZINC000008063702 221024673 /nfs/dbraw/zinc/02/46/73/221024673.db2.gz RWRBTPSACUUXFZ-UHFFFAOYSA-N 0 0 383.878 5.528 50 5 GKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2ccc(F)cc32)cc1 ZINC000008607007 221045386 /nfs/dbraw/zinc/04/53/86/221045386.db2.gz MUOIKCZAONTPCD-UHFFFAOYSA-N 0 0 398.397 5.596 50 5 GKBARN Cc1ccc(C2=N[C@@H]3C=CC=C[C@H]3S[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 ZINC000011617366 221118621 /nfs/dbraw/zinc/11/86/21/221118621.db2.gz HXIHDRLMICWHIA-CEMLEFRQSA-N 0 0 376.481 5.434 50 5 GKBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2c(ccc3ccccc32)oc1=O ZINC000012062402 221146533 /nfs/dbraw/zinc/14/65/33/221146533.db2.gz CHMMXEGTDPJBJT-UHFFFAOYSA-N 0 0 384.218 5.505 50 5 GKBARN COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1Cc1ccccc1 ZINC000012746515 221223895 /nfs/dbraw/zinc/22/38/95/221223895.db2.gz HIINALBULXNZQA-UHFFFAOYSA-N 0 0 396.830 5.100 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1NCCc1cccc2cccnc21 ZINC000012910568 221244755 /nfs/dbraw/zinc/24/47/55/221244755.db2.gz CIAHDLYOBKJYHC-UHFFFAOYSA-N 0 0 395.768 5.470 50 5 GKBARN Cc1ccc([C@@H]2C[C@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 ZINC000013643592 221278300 /nfs/dbraw/zinc/27/83/00/221278300.db2.gz VRNKRRHPRBRCPM-JKSUJKDBSA-N 0 0 385.496 5.084 50 5 GKBARN Cc1ccc2c(cccc2NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)n1 ZINC000013946223 221294812 /nfs/dbraw/zinc/29/48/12/221294812.db2.gz QAEUGMWRYXKVMQ-UHFFFAOYSA-N 0 0 397.843 5.572 50 5 GKBARN Cc1ccc(Cl)cc1N1COc2ccc3c4ccccc4c(=O)oc3c2C1 ZINC000002158463 136193345 /nfs/dbraw/zinc/19/33/45/136193345.db2.gz MKUCRZLYDGQSNA-UHFFFAOYSA-N 0 0 377.827 5.265 50 5 biogenic GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1ccc(F)c(Cl)c1)CO2 ZINC000002125065 136193495 /nfs/dbraw/zinc/19/34/95/136193495.db2.gz TUWJDKJOIUXQBP-UHFFFAOYSA-N 0 0 395.817 5.404 50 5 biogenic GKBARN Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000006215884 136195125 /nfs/dbraw/zinc/19/51/25/136195125.db2.gz VPQYYPPEBGCOKG-CYBMUJFWSA-N 0 0 387.867 5.045 50 5 GKBARN Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000006215883 136195127 /nfs/dbraw/zinc/19/51/27/136195127.db2.gz VPQYYPPEBGCOKG-ZDUSSCGKSA-N 0 0 387.867 5.045 50 5 GKBARN Cc1csc(N(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)n1 ZINC000043005895 221945577 /nfs/dbraw/zinc/94/55/77/221945577.db2.gz BVESFIDYEGYMMF-CSKARUKUSA-N 0 0 399.859 5.391 50 5 GKBARN O=[N+]([O-])c1cccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)c1 ZINC000044086087 221950715 /nfs/dbraw/zinc/95/07/15/221950715.db2.gz ZDADTWABXPLLDM-UHFFFAOYSA-N 0 0 387.464 5.740 50 5 GKBARN CC(=O)Oc1cn(-c2ccc(C(C)C)cc2)c2nc(C)n3c4ccccc4nc3c12 ZINC000101180307 222469536 /nfs/dbraw/zinc/46/95/36/222469536.db2.gz MRNSTEJICFIQCG-UHFFFAOYSA-N 0 0 398.466 5.184 50 5 GKBARN Cc1cc2c(cc1C)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102649240 222483863 /nfs/dbraw/zinc/48/38/63/222483863.db2.gz ULNHFYQGTZCOJL-JOCHJYFZSA-N 0 0 391.471 6.083 50 5 GKBARN C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000000752630 524815074 /nfs/dbraw/zinc/81/50/74/524815074.db2.gz XMYMRMCDWWHWTA-HRAATJIYSA-N 0 0 387.439 5.187 50 5 GKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000004300485 570217921 /nfs/dbraw/zinc/21/79/21/570217921.db2.gz IYALGKYWFRZKJW-UHFFFAOYSA-N 0 0 392.198 5.117 50 5 GKBARN CCCc1nc2c(sc3nc(COC)cc(C)c32)c2nc3ccccc3n21 ZINC000000969351 570232347 /nfs/dbraw/zinc/23/23/47/570232347.db2.gz HBAPMKIMFIOIQD-UHFFFAOYSA-N 0 0 376.485 5.053 50 5 GKBARN Cc1cccc(C(C)C)c1NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1Cl ZINC000006062356 570232564 /nfs/dbraw/zinc/23/25/64/570232564.db2.gz UQMPOEMQKVBXMI-ZDUSSCGKSA-N 0 0 376.840 5.086 50 5 GKBARN CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1 ZINC000044087805 570235223 /nfs/dbraw/zinc/23/52/23/570235223.db2.gz ARGGXXFBLSYQEY-UHFFFAOYSA-N 0 0 379.363 5.188 50 5 GKBARN Cc1c(OCc2ccccc2Br)ccc2c3ccccc3c(=O)oc12 ZINC000001154573 570249976 /nfs/dbraw/zinc/24/99/76/570249976.db2.gz MDWMHUPJXGWHGQ-UHFFFAOYSA-N 0 0 395.252 5.596 50 5 GKBARN Fc1cccc2sc3c(c21)c1cc2ccc4ccccc4c2cc1nc3Cl ZINC000002125198 570275264 /nfs/dbraw/zinc/27/52/64/570275264.db2.gz AKYZHNFIWMVJQD-UHFFFAOYSA-N 0 0 387.866 7.702 50 5 GKBARN O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000002142939 570276018 /nfs/dbraw/zinc/27/60/18/570276018.db2.gz ZDWVYAXYFHFTIH-OAQYLSRUSA-N 0 0 379.799 5.884 50 5 GKBARN O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000000651624 570280848 /nfs/dbraw/zinc/28/08/48/570280848.db2.gz MBIRZQUAFPIBQO-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN CC/N=c1/sc2c(c3ccccc3c3ccccc23)n1-c1ccc(Cl)cc1 ZINC000102300733 570288155 /nfs/dbraw/zinc/28/81/55/570288155.db2.gz AFHLJPUVBZGNSD-WJTDDFOZSA-N 0 0 388.923 6.572 50 5 GKBARN Cc1cccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)c1 ZINC000000671419 570288982 /nfs/dbraw/zinc/28/89/82/570288982.db2.gz RRPHWIRDOOLDHZ-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cn1cc(-c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)c2ccccc21 ZINC000000678331 570290397 /nfs/dbraw/zinc/29/03/97/570290397.db2.gz IBKMZVSKGOYLAO-UHFFFAOYSA-N 0 0 394.434 5.811 50 5 GKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@@H](C[N+](=O)[O-])c2ccc(C)cc2)cc1 ZINC000000706971 570293888 /nfs/dbraw/zinc/29/38/88/570293888.db2.gz CSJNBRRCFGCQSE-NRFANRHFSA-N 0 0 386.451 5.561 50 5 GKBARN O=C(Nc1cc(Oc2ccc(F)cc2)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000000711390 570301411 /nfs/dbraw/zinc/30/14/11/570301411.db2.gz SCOANAKUJDYSOC-UHFFFAOYSA-N 0 0 386.766 5.432 50 5 GKBARN Cc1ccccc1-c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)ccc2o1 ZINC000000726760 570304116 /nfs/dbraw/zinc/30/41/16/570304116.db2.gz GQRXRVZMZJMEHN-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=C(Nc1ccccc1-c1ccccc1)c1cc2c(ccc3ccccc32)oc1=O ZINC000002867429 570312907 /nfs/dbraw/zinc/31/29/07/570312907.db2.gz JJEXSUBAENGCPJ-UHFFFAOYSA-N 0 0 391.426 5.866 50 5 GKBARN O=[N+]([O-])c1ccc2c(c1)c(-c1ccccc1)nn2Cc1cccc(Cl)c1Cl ZINC000023374992 570322071 /nfs/dbraw/zinc/32/20/71/570322071.db2.gz LTCVYNACVZWVIR-UHFFFAOYSA-N 0 0 398.249 5.967 50 5 GKBARN Cc1ccc(NC2=C[C@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100284558 570349165 /nfs/dbraw/zinc/34/91/65/570349165.db2.gz ALHVZGJZPNESJX-HSZRJFAPSA-N 0 0 399.450 5.296 50 5 GKBARN Cc1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 ZINC000004902243 570359496 /nfs/dbraw/zinc/35/94/96/570359496.db2.gz BLZSURNASLTGAY-FQEVSTJZSA-N 0 0 378.453 5.375 50 5 GKBARN Cc1ccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)cc1 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CC(C)(C)c1noc(CSc2nc3ccccc3c3nc4ccccc4n32)n1 ZINC000040051166 570547445 /nfs/dbraw/zinc/54/74/45/570547445.db2.gz AVHAPPUMZHBLRV-UHFFFAOYSA-N 0 0 389.484 5.009 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1-c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004322649 570559349 /nfs/dbraw/zinc/55/93/49/570559349.db2.gz IIUXFQLQAUARRF-UHFFFAOYSA-N 0 0 380.200 5.208 50 5 GKBARN O=c1cc(CSc2nnc(-c3cccs3)o2)c2c(ccc3ccccc32)o1 ZINC000003474836 570609693 /nfs/dbraw/zinc/60/96/93/570609693.db2.gz OLHVHYUSSDQWGU-UHFFFAOYSA-N 0 0 392.461 5.350 50 5 GKBARN O=[N+]([O-])c1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1cccc(Cl)c1 ZINC000006813844 570615359 /nfs/dbraw/zinc/61/53/59/570615359.db2.gz GHFMHTDJFLAGEE-FMIVXFBMSA-N 0 0 375.815 5.758 50 5 GKBARN Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000004595375 570621345 /nfs/dbraw/zinc/62/13/45/570621345.db2.gz DNIXNNDPVNXPJK-HXUWFJFHSA-N 0 0 386.451 5.156 50 5 GKBARN CCOc1ccccc1Cn1c2ccc(OC)cc2c2nc3ccccc3nc21 ZINC000005516232 570623860 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5 GKBARN O=C(CSc1ccccc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001146296 570754955 /nfs/dbraw/zinc/75/49/55/570754955.db2.gz CYSYDILOMAOEDX-UHFFFAOYSA-N 0 0 396.493 5.477 50 5 GKBARN COc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 ZINC000001129736 570755976 /nfs/dbraw/zinc/75/59/76/570755976.db2.gz IHTUQAMFBSZYBT-OAQYLSRUSA-N 0 0 390.439 5.073 50 5 GKBARN COc1ccc(-n2c3c(c(=S)nc2-c2ccc([N+](=O)[O-])cc2)CCCC3)cc1 ZINC000001153160 570757332 /nfs/dbraw/zinc/75/73/32/570757332.db2.gz UPOBUORLQAASAW-UHFFFAOYSA-N 0 0 393.468 5.064 50 5 GKBARN O=[N+]([O-])c1cccc(-c2noc(-c3cc(-c4ccccc4)nc4ccccc43)n2)c1 ZINC000001159262 570757612 /nfs/dbraw/zinc/75/76/12/570757612.db2.gz VVRNUBMGCKDNOV-UHFFFAOYSA-N 0 0 394.390 5.527 50 5 GKBARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@]2(Br)[N+](=O)[O-] ZINC000025543259 570758533 /nfs/dbraw/zinc/75/85/33/570758533.db2.gz JONDYXQWDHVHOG-IZGRHMBUSA-N 0 0 384.358 5.787 50 5 GKBARN CCCc1sc(NC(=O)c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000001180305 570790873 /nfs/dbraw/zinc/79/08/73/570790873.db2.gz RRSCVTGNTNRVGT-UHFFFAOYSA-N 0 0 395.484 5.540 50 5 GKBARN C[C@@H]1C[C@H](N(C(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2)c2ccccc2N1 ZINC000001181739 570790893 /nfs/dbraw/zinc/79/08/93/570790893.db2.gz JZBUSWXHRCFISV-ZHRRBRCNSA-N 0 0 387.439 5.187 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000001184153 570791463 /nfs/dbraw/zinc/79/14/63/570791463.db2.gz SCUNJYOPVCJTFU-UHFFFAOYSA-N 0 0 395.173 5.553 50 5 GKBARN CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 ZINC000005671672 570794814 /nfs/dbraw/zinc/79/48/14/570794814.db2.gz NPCSSXMDFNDSPQ-FYWRMAATSA-N 0 0 390.439 5.849 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](Nc1ccccc1)c1ccccc1 ZINC000005939020 570806061 /nfs/dbraw/zinc/80/60/61/570806061.db2.gz AAFFJLKBTXPPIY-LJQANCHMSA-N 0 0 381.819 5.040 50 5 GKBARN O=C(Nc1cc(F)cc(F)c1)c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000004668105 570814300 /nfs/dbraw/zinc/81/43/00/570814300.db2.gz BYBUWZVQLJDANL-UHFFFAOYSA-N 0 0 389.402 5.260 50 5 GKBARN CCc1ccccc1NC(=O)c1ccc(NCCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004668202 570814305 /nfs/dbraw/zinc/81/43/05/570814305.db2.gz OQPUKXJUWCSGHX-UHFFFAOYSA-N 0 0 389.455 5.064 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)c(C)c1 ZINC000004668210 570814311 /nfs/dbraw/zinc/81/43/11/570814311.db2.gz KUGKXPZNEITJOH-UHFFFAOYSA-N 0 0 381.476 5.599 50 5 GKBARN CCc1ccc(NC(=O)c2ccc(NCCc3ccccc3)c([N+](=O)[O-])c2)cc1 ZINC000004668228 570814412 /nfs/dbraw/zinc/81/44/12/570814412.db2.gz LSJOZCDJOAJLPX-UHFFFAOYSA-N 0 0 389.455 5.064 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004689087 570828553 /nfs/dbraw/zinc/82/85/53/570828553.db2.gz WJSASGKQECCVEY-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN CC(C)c1cccc(C(C)C)c1NC(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1 ZINC000007401726 570837756 /nfs/dbraw/zinc/83/77/56/570837756.db2.gz AFFOXLYXWZEDPF-HNNXBMFYSA-N 0 0 386.517 5.961 50 5 GKBARN Cc1cc(C)cc(N(C(=O)c2ccc([N+](=O)[O-])o2)c2nc3ccccc3s2)c1 ZINC000003271955 570847425 /nfs/dbraw/zinc/84/74/25/570847425.db2.gz CSSSMFLDYHQSPR-UHFFFAOYSA-N 0 0 393.424 5.393 50 5 GKBARN CCN(C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)[C@H](C)c1cc2ccccc2o1 ZINC000170591935 570849928 /nfs/dbraw/zinc/84/99/28/570849928.db2.gz LBIXUNVSTFBXMG-CYBMUJFWSA-N 0 0 377.400 5.046 50 5 GKBARN Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000102535137 570850185 /nfs/dbraw/zinc/85/01/85/570850185.db2.gz IKAQHXDGETYTEE-NRFANRHFSA-N 0 0 377.444 5.775 50 5 GKBARN Cc1ccccc1-c1nc(-c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)no1 ZINC000037278860 570869089 /nfs/dbraw/zinc/86/90/89/570869089.db2.gz ZIWCALHSOFFJSN-UHFFFAOYSA-N 0 0 387.395 5.199 50 5 GKBARN O=C(OCc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(c1ccc([N+](=O)[O-])cc1)(C3)C2 ZINC000016771616 570909560 /nfs/dbraw/zinc/90/95/60/570909560.db2.gz JMRRKJLYZYJXPN-LHHMWQFHSA-N 0 0 391.467 5.176 50 5 GKBARN Oc1ccc2ccc3ccccc3c2c1-c1c(O)ccc2ccc3ccccc3c21 ZINC000043214927 570933471 /nfs/dbraw/zinc/93/34/71/570933471.db2.gz NBWRXHUVCCXVBP-UHFFFAOYSA-N 0 0 386.450 7.378 50 5 GKBARN COc1cc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)ccc1OCC(C)C ZINC000006159682 570937135 /nfs/dbraw/zinc/93/71/35/570937135.db2.gz JYQUMYHVPYBGJY-UHFFFAOYSA-N 0 0 398.466 5.370 50 5 GKBARN Cn1c2ccccc2nc1-c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000023190980 570946112 /nfs/dbraw/zinc/94/61/12/570946112.db2.gz KSWKONQGLSHIMS-UHFFFAOYSA-N 0 0 380.407 5.364 50 5 GKBARN O=c1oc2c(ccc3c2CN(c2ccc(Cl)c(Cl)c2)CO3)c2ccccc12 ZINC000002119939 570953754 /nfs/dbraw/zinc/95/37/54/570953754.db2.gz ZQEDSFNMBWXJIF-UHFFFAOYSA-N 0 0 398.245 5.610 50 5 biogenic GKBARN Cc1ccc([C@@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2-c2ccc(Cl)cc2)cc1 ZINC000004134619 570961686 /nfs/dbraw/zinc/96/16/86/570961686.db2.gz HWUKNYJOVZFHQH-HXUWFJFHSA-N 0 0 390.870 6.205 50 5 GKBARN O=C(/C=C/c1ccc([N+](=O)[O-])s1)Nc1cccc(-c2nc3ccccc3o2)c1 ZINC000004134685 570961767 /nfs/dbraw/zinc/96/17/67/570961767.db2.gz IQQDGPPGHXEMJP-CSKARUKUSA-N 0 0 391.408 5.116 50 5 GKBARN Cc1ccc(Cl)cc1NC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004758031 570963597 /nfs/dbraw/zinc/96/35/97/570963597.db2.gz GYWAZUNWDYXHTF-UHFFFAOYSA-N 0 0 395.846 5.421 50 5 GKBARN c1ccc(-c2nc3cc4nc5ccccc5nc4cc3nc2-c2ccccc2)cc1 ZINC000004566237 570965259 /nfs/dbraw/zinc/96/52/59/570965259.db2.gz FKNLNXDWUUXWRJ-UHFFFAOYSA-N 0 0 384.442 6.060 50 5 GKBARN Cc1nc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-] ZINC000004754016 570965455 /nfs/dbraw/zinc/96/54/55/570965455.db2.gz NUVUTQQSLHHKHE-UHFFFAOYSA-N 0 0 395.846 5.107 50 5 GKBARN COc1ccc(C(=O)C[C@@H](Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 ZINC000205752378 570969649 /nfs/dbraw/zinc/96/96/49/570969649.db2.gz RFWYNSPIRPWPNM-OAQYLSRUSA-N 0 0 376.412 5.030 50 5 GKBARN C[C@@H]1Oc2cc([N+](=O)[O-])cc3c2C1=Cc1ccc(OCc2ccccc2)cc1O3 ZINC000004770046 570973196 /nfs/dbraw/zinc/97/31/96/570973196.db2.gz ODTXRUBNFOBZJY-AWEZNQCLSA-N 0 0 387.391 5.601 50 5 GKBARN CC(=O)Nc1cc(Cl)c(Oc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] ZINC000004772904 570978360 /nfs/dbraw/zinc/97/83/60/570978360.db2.gz LGUJUZJSOQGCKH-UHFFFAOYSA-N 0 0 375.595 5.306 50 5 GKBARN Cc1noc(/C=C\c2ccc(-c3ccc(Br)cc3)o2)c1[N+](=O)[O-] ZINC000004810111 570995871 /nfs/dbraw/zinc/99/58/71/570995871.db2.gz LHBKVXGPBCIRGX-CLFYSBASSA-N 0 0 375.178 5.084 50 5 GKBARN CCCCOc1ccccc1Cn1c2nc3ccccc3nc2c2cccc(C)c21 ZINC000002195423 570996798 /nfs/dbraw/zinc/99/67/98/570996798.db2.gz MVIIIOCINAPZQL-UHFFFAOYSA-N 0 0 395.506 6.273 50 5 GKBARN CCC(=O)Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NC(=O)CC)ccc21 ZINC000001428911 571001663 /nfs/dbraw/zinc/00/16/63/571001663.db2.gz VLHMVTKWRFOGDY-UHFFFAOYSA-N 0 0 397.478 5.752 50 5 GKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000004813889 571045323 /nfs/dbraw/zinc/04/53/23/571045323.db2.gz ZDRWTLIANHKZKV-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1[N+](=O)[O-] ZINC000004815470 571048761 /nfs/dbraw/zinc/04/87/61/571048761.db2.gz DFXUKRBNVISATE-UHFFFAOYSA-N 0 0 397.239 5.377 50 5 GKBARN N=c1oc2ccc3ccccc3c2cc1C(=O)Nc1cc(Cl)ccc1Cl ZINC000017078243 210202615 /nfs/dbraw/zinc/20/26/15/210202615.db2.gz UKSHHENRKOEDIB-UHFFFAOYSA-N 0 0 383.234 5.625 50 5 GKBARN Cc1cc(Cl)ccc1Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc21 ZINC000009356920 209823895 /nfs/dbraw/zinc/82/38/95/209823895.db2.gz HOCJDBGUXBSKBE-UHFFFAOYSA-N 0 0 390.830 5.910 50 5 GKBARN CCCSc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)cc2Cl)c1 ZINC000004965732 209551122 /nfs/dbraw/zinc/55/11/22/209551122.db2.gz CWYKVMMGWXOKCO-UHFFFAOYSA-N 0 0 385.272 5.656 50 5 GKBARN O=C(Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2 ZINC000004727193 209518012 /nfs/dbraw/zinc/51/80/12/209518012.db2.gz ILXRXPLOIVWUOL-UHFFFAOYSA-N 0 0 392.798 5.777 50 5 GKBARN Cc1ccc(-n2c(/C=C/c3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1C ZINC000004659486 209506135 /nfs/dbraw/zinc/50/61/35/209506135.db2.gz ASGKNWMJMMVOMO-GXDHUFHOSA-N 0 0 397.434 5.081 50 5 GKBARN C[C@]1(c2ccccc2)CCN2CC[C@](C)(c3ccccc3)c3cc([N+](=O)[O-])cc1c32 ZINC000004181171 209470401 /nfs/dbraw/zinc/47/04/01/209470401.db2.gz ARFDAFPFUOXGEM-CLJLJLNGSA-N 0 0 398.506 5.821 50 5 GKBARN COc1cc2c(cc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])oc1ccccc12 ZINC000003567061 209447556 /nfs/dbraw/zinc/44/75/56/209447556.db2.gz VCHLQMSGWCKELB-UHFFFAOYSA-N 0 0 396.786 5.409 50 5 GKBARN O=C(c1sc(Nc2ccccc2)c2c1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000003241705 209418143 /nfs/dbraw/zinc/41/81/43/209418143.db2.gz UDVUVFCDVNNIRT-UHFFFAOYSA-N 0 0 378.453 5.510 50 5 GKBARN Cc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1 ZINC000003105263 209411030 /nfs/dbraw/zinc/41/10/30/209411030.db2.gz CCJKOJWNKPMXKR-UHFFFAOYSA-N 0 0 379.397 5.025 50 5 GKBARN O=C1CS[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(Oc2ccccc2)cc1 ZINC000002949308 209399793 /nfs/dbraw/zinc/39/97/93/209399793.db2.gz IFYHUMJPURGBFR-OAQYLSRUSA-N 0 0 392.436 5.166 50 5 GKBARN O=[N+]([O-])c1cccc([C@H]2C[C@@H](c3ccccc3F)n3c4ccccc4nc3N2)c1 ZINC000002918752 209397406 /nfs/dbraw/zinc/39/74/06/209397406.db2.gz RXNDBGJUJJPBNN-CTNGQTDRSA-N 0 0 388.402 5.230 50 5 GKBARN CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3cc4ccccc4cc31)O2 ZINC000002896244 209395109 /nfs/dbraw/zinc/39/51/09/209395109.db2.gz SYDHXNUFWICOGV-SANMLTNESA-N 0 0 378.475 6.212 50 5 GKBARN CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)c3ccc([N+](=O)[O-])cc3)ccc21 ZINC000002839691 209389378 /nfs/dbraw/zinc/38/93/78/209389378.db2.gz PZULGLTVODYMMA-HNNXBMFYSA-N 0 0 387.439 5.465 50 5 GKBARN Clc1ccccc1OCCCn1c2ccccc2c2nc3ccccc3nc21 ZINC000002668001 209376188 /nfs/dbraw/zinc/37/61/88/209376188.db2.gz IRIHCDLMTMWEJN-UHFFFAOYSA-N 0 0 387.870 5.860 50 5 GKBARN Cc1cc(Oc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])cc(C)c1Cl ZINC000002162625 209348571 /nfs/dbraw/zinc/34/85/71/209348571.db2.gz VJQSKRYYJFOCBZ-UHFFFAOYSA-N 0 0 390.701 5.584 50 5 GKBARN CCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n([C@H](C)CC)c2=O ZINC000002377150 209360524 /nfs/dbraw/zinc/36/05/24/209360524.db2.gz TXTNIXZPLLWKHS-OAHLLOKOSA-N 0 0 391.519 5.154 50 5 GKBARN Cc1cc2c(c(C)c1[N+](=O)[O-])C[C@](C)(c1cc(C)c([N+](=O)[O-])c(C)c1)C2(C)C ZINC000002187276 209349948 /nfs/dbraw/zinc/34/99/48/209349948.db2.gz HGLAXHLPKCGCIB-JOCHJYFZSA-N 0 0 382.460 5.528 50 5 GKBARN COc1ccc2c(c1)c1nc3ccccc3nc1n2CCCOc1ccccc1C ZINC000002194535 209349718 /nfs/dbraw/zinc/34/97/18/209349718.db2.gz PDOLZVKTVRNDQN-UHFFFAOYSA-N 0 0 397.478 5.524 50 5 GKBARN O=C(Nc1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000002164780 209349218 /nfs/dbraw/zinc/34/92/18/209349218.db2.gz GJDSYJDMASYIPR-UHFFFAOYSA-N 0 0 396.786 5.090 50 5 GKBARN O=[N+]([O-])c1cc(Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc(C(F)(F)F)c1 ZINC000002168602 209348220 /nfs/dbraw/zinc/34/82/20/209348220.db2.gz DQZIZMYKVLJZAU-UHFFFAOYSA-N 0 0 394.227 5.131 50 5 GKBARN O=[N+]([O-])C1=Cc2cc(Cl)ccc2O[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000002142938 209347426 /nfs/dbraw/zinc/34/74/26/209347426.db2.gz ZDWVYAXYFHFTIH-NRFANRHFSA-N 0 0 379.799 5.884 50 5 GKBARN CCCC1CCC(c2ccc(-c3nc(-c4ccc([N+](=O)[O-])cc4)no3)cc2)CC1 ZINC000002025566 209344024 /nfs/dbraw/zinc/34/40/24/209344024.db2.gz YWXRPDIOLUZOHO-UHFFFAOYSA-N 0 0 391.471 6.386 50 5 GKBARN CCCCOc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000001791080 209339475 /nfs/dbraw/zinc/33/94/75/209339475.db2.gz PWROSLXLGWZYFI-UHFFFAOYSA-N 0 0 397.456 5.150 50 5 GKBARN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001220731 209315623 /nfs/dbraw/zinc/31/56/23/209315623.db2.gz ITHRNQWEMWNKQI-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc([N+](=O)[O-])c1 ZINC000001209884 209315282 /nfs/dbraw/zinc/31/52/82/209315282.db2.gz XYMWBQLOZDMYRN-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000001208963 209315206 /nfs/dbraw/zinc/31/52/06/209315206.db2.gz FYXMIXQSFVQQGG-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001212297 209314963 /nfs/dbraw/zinc/31/49/63/209314963.db2.gz 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ZINC000001148930 209306787 /nfs/dbraw/zinc/30/67/87/209306787.db2.gz DWXFDDCXGFMBEA-UHFFFAOYSA-N 0 0 396.830 5.910 50 5 GKBARN COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] ZINC000001138183 209304536 /nfs/dbraw/zinc/30/45/36/209304536.db2.gz AGRCDMGYDPGMEF-UHFFFAOYSA-N 0 0 398.802 5.301 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc21)c1ccccc1F ZINC000001069930 209297309 /nfs/dbraw/zinc/29/73/09/209297309.db2.gz RLPDRMBYDUGRRB-UHFFFAOYSA-N 0 0 376.343 5.399 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nnc(CSCc3cccc4ccccc43)o2)cc1 ZINC000001043360 209293017 /nfs/dbraw/zinc/29/30/17/209293017.db2.gz KAUCMGLLAURGPV-UHFFFAOYSA-N 0 0 377.425 5.231 50 5 GKBARN O=C(Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl ZINC000001042527 209292984 /nfs/dbraw/zinc/29/29/84/209292984.db2.gz DUROQYIDNVHTTO-UHFFFAOYSA-N 0 0 380.105 5.140 50 5 GKBARN O=[N+]([O-])c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1 ZINC000001028992 209290589 /nfs/dbraw/zinc/29/05/89/209290589.db2.gz NVTLULUUOSTOCF-XXBNENTESA-N 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378.818 5.990 50 5 GKBARN Cc1cc(OC(=O)Nc2cc([N+](=O)[O-])ccc2C)c(Br)cc1Cl ZINC000001560685 209169319 /nfs/dbraw/zinc/16/93/19/209169319.db2.gz ZVDMXAVIQFCVNH-UHFFFAOYSA-N 0 0 399.628 5.238 50 5 GKBARN Cc1ccc([C@H]2c3cccn3CCCN2Cc2ccccc2[N+](=O)[O-])cc1C ZINC000037522476 205027213 /nfs/dbraw/zinc/02/72/13/205027213.db2.gz KEMIGDSTTPKJSJ-QHCPKHFHSA-N 0 0 375.472 5.008 50 5 GKBARN c1ccc2c(c1)ccc1op(N3CCCCC3)oc3ccc4ccccc4c3c12 ZINC000043681909 205083773 /nfs/dbraw/zinc/08/37/73/205083773.db2.gz ZYDGLCZCEANEHK-UHFFFAOYSA-N 0 0 399.430 7.718 50 5 GKBARN CCC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000001161348 209115182 /nfs/dbraw/zinc/11/51/82/209115182.db2.gz OIPMLHSZSLSPCQ-UHFFFAOYSA-N 0 0 391.379 5.199 50 5 GKBARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(Oc2ccccc2)cc1 ZINC000000949338 205705603 /nfs/dbraw/zinc/70/56/03/205705603.db2.gz GNKXXIIXHZFOLQ-UHFFFAOYSA-N 0 0 391.408 5.249 50 5 GKBARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccccc1Oc1ccccc1F ZINC000003192914 205724473 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GKBARN O=C(O[C@H](c1ccccc1)c1nccc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000000939212 206335155 /nfs/dbraw/zinc/33/51/55/206335155.db2.gz HFVLOHGJGZNURS-JOCHJYFZSA-N 0 0 384.391 5.089 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2ncnc3scc(-c4ccccc4)c32)cc1 ZINC000000955548 206337734 /nfs/dbraw/zinc/33/77/34/206337734.db2.gz ZRSXPGNNLBOOOU-UHFFFAOYSA-N 0 0 379.466 5.559 50 5 GKBARN Cc1ccc(SCc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 ZINC000001061244 206346812 /nfs/dbraw/zinc/34/68/12/206346812.db2.gz SVHPCZCGYFTLBX-UHFFFAOYSA-N 0 0 392.480 5.756 50 5 GKBARN Cc1ccc2c(c1)Oc1cc([N+](=O)[O-])cc(Oc3ccccc3C)c1C(=O)N2 ZINC000001097644 206352159 /nfs/dbraw/zinc/35/21/59/206352159.db2.gz UZUMWKLSSGRTMU-UHFFFAOYSA-N 0 0 376.368 5.362 50 5 GKBARN O=[N+]([O-])c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 ZINC000001107231 206352236 /nfs/dbraw/zinc/35/22/36/206352236.db2.gz PPKLABMGXBLYFN-UHFFFAOYSA-N 0 0 387.464 5.944 50 5 GKBARN CCOc1ccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1 ZINC000001111378 206353516 /nfs/dbraw/zinc/35/35/16/206353516.db2.gz ADORZNBCGDMYRU-UHFFFAOYSA-N 0 0 386.791 5.159 50 5 GKBARN O=C(Nc1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1[N+](=O)[O-] ZINC000001131713 206356853 /nfs/dbraw/zinc/35/68/53/206356853.db2.gz NYYYIODDEWELIC-UHFFFAOYSA-N 0 0 384.844 5.652 50 5 GKBARN COc1ccc([C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 ZINC000001129734 206357360 /nfs/dbraw/zinc/35/73/60/206357360.db2.gz IHTUQAMFBSZYBT-NRFANRHFSA-N 0 0 390.439 5.073 50 5 GKBARN Cc1ccc(Sc2ccc(COC(=O)c3cccs3)cc2[N+](=O)[O-])cc1 ZINC000001405588 206379737 /nfs/dbraw/zinc/37/97/37/206379737.db2.gz XNHSOPFGWZTOIT-UHFFFAOYSA-N 0 0 385.466 5.473 50 5 GKBARN c1ccc2c(c1)c1nc3ccccc3nc1n2CCOc1ccc2ccccc2c1 ZINC000001452076 206382720 /nfs/dbraw/zinc/38/27/20/206382720.db2.gz WCHVBKPUAMFXHS-UHFFFAOYSA-N 0 0 389.458 5.970 50 5 GKBARN Cc1ccc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])cc1C ZINC000001139024 206358886 /nfs/dbraw/zinc/35/88/86/206358886.db2.gz JYQQRXAXFDLCCZ-UHFFFAOYSA-N 0 0 387.395 5.721 50 5 GKBARN Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000001146014 206360298 /nfs/dbraw/zinc/36/02/98/206360298.db2.gz ZWVZVYMFFYLSKH-UWJYYQICSA-N 0 0 386.451 5.474 50 5 GKBARN CCOc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1 ZINC000001154194 206361215 /nfs/dbraw/zinc/36/12/15/206361215.db2.gz RSOARMHRTZZOFX-UHFFFAOYSA-N 0 0 387.395 5.396 50 5 GKBARN O=C(Nc1ccc(Oc2cccc3cccnc32)cc1)c1cccc([N+](=O)[O-])c1 ZINC000001161721 206361783 /nfs/dbraw/zinc/36/17/83/206361783.db2.gz BPEFALIZRXIOIE-UHFFFAOYSA-N 0 0 385.379 5.188 50 5 GKBARN Cc1ccc(-c2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)c3ccccc3n2)o1 ZINC000001200302 206366913 /nfs/dbraw/zinc/36/69/13/206366913.db2.gz KQBZECGZAGQKBD-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Clc1ccc(Cn2c3ccccc3c3nc4ccccc4nc32)c(Cl)c1 ZINC000001906975 206394045 /nfs/dbraw/zinc/39/40/45/206394045.db2.gz WYESECXJWOSAHG-UHFFFAOYSA-N 0 0 378.262 6.093 50 5 GKBARN CN1c2ccccc2C(C)(C)[C@@]12C=Nc1c3ccccc3c3ccccc3c1O2 ZINC000002170287 206401050 /nfs/dbraw/zinc/40/10/50/206401050.db2.gz JTRRHUVYCPAWOM-SANMLTNESA-N 0 0 378.475 6.212 50 5 GKBARN Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000002759432 206433606 /nfs/dbraw/zinc/43/36/06/206433606.db2.gz REPDMGDQLCXEML-UHFFFAOYSA-N 0 0 392.198 5.117 50 5 GKBARN O=C(C[C@@H](Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)c1ccccc1 ZINC000002869960 206442427 /nfs/dbraw/zinc/44/24/27/206442427.db2.gz XMBSENIGKOWDQL-HXUWFJFHSA-N 0 0 380.831 5.674 50 5 GKBARN CCCCCn1c2ccccc2c2nc3cc(OCC)c(OCC)cc3nc21 ZINC000002690594 206428179 /nfs/dbraw/zinc/42/81/79/206428179.db2.gz QPBRDXNJVAFGKT-UHFFFAOYSA-N 0 0 377.488 5.725 50 5 GKBARN O=[N+]([O-])c1ccccc1Oc1nc2ccccc2cc1-c1ccc(Cl)cc1 ZINC000003050877 206456014 /nfs/dbraw/zinc/45/60/14/206456014.db2.gz ILVDNRHBBBOFNP-UHFFFAOYSA-N 0 0 376.799 6.256 50 5 GKBARN COc1ccc(Cn2c3nc4ccccc4nc3c3cc(C)cc(C)c32)cc1OC ZINC000005267822 206602631 /nfs/dbraw/zinc/60/26/31/206602631.db2.gz QGBCRPPTPZAMBZ-UHFFFAOYSA-N 0 0 397.478 5.420 50 5 GKBARN O=[N+]([O-])c1ccccc1SC1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1 ZINC000102948842 211418928 /nfs/dbraw/zinc/41/89/28/211418928.db2.gz BNGQYJOMYMFMEZ-VLGSPTGOSA-N 0 0 394.496 5.108 50 5 GKBARN c1cc2ccc3ccc(ccc4ccc(ccc5ccc(ccc1o2)cc5)o4)cc3 ZINC000101013075 211394436 /nfs/dbraw/zinc/39/44/36/211394436.db2.gz BHCDYFBPOYJEMM-UHFFFAOYSA-N 0 0 388.466 8.296 50 5 GKBARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1cccc(Cl)c1 ZINC000096276281 211329270 /nfs/dbraw/zinc/32/92/70/211329270.db2.gz QYMDTXOMWKCQEO-KRWDZBQOSA-N 0 0 399.878 5.024 50 5 GKBARN CC(C)CNC(=O)C[C@H](c1c[nH]c2ccc([N+](=O)[O-])cc21)c1ccc(Cl)cc1 ZINC000096275256 211328249 /nfs/dbraw/zinc/32/82/49/211328249.db2.gz WVXQSTLGOOASMJ-KRWDZBQOSA-N 0 0 399.878 5.024 50 5 GKBARN CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000089960809 211187753 /nfs/dbraw/zinc/18/77/53/211187753.db2.gz FHEPLSOOEILTID-NRFANRHFSA-N 0 0 393.418 5.377 50 5 GKBARN CC(C)c1oc([C@H]2CCCN2c2ccccc2[N+](=O)[O-])nc1-c1ccccc1 ZINC000084622417 211172577 /nfs/dbraw/zinc/17/25/77/211172577.db2.gz HUDHXJBQODTXKT-LJQANCHMSA-N 0 0 377.444 5.715 50 5 GKBARN Cc1c2oc3c(nc4c(c(=O)[nH]n4C(C)C)c3-c3cccc(O)c3)c2ccc1O ZINC000079477445 211156212 /nfs/dbraw/zinc/15/62/12/211156212.db2.gz XZZDGNHMIOJYII-UHFFFAOYSA-N 0 0 389.411 5.004 50 5 GKBARN O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2ccccc2F)c1 ZINC000036348432 210720374 /nfs/dbraw/zinc/72/03/74/210720374.db2.gz CTEGACQHEAPEND-OAQYLSRUSA-N 0 0 399.853 5.184 50 5 GKBARN Cc1noc(C[C@@H](CC(=O)c2ccccc2)c2ccccc2Cl)c1[N+](=O)[O-] ZINC000019872734 207167522 /nfs/dbraw/zinc/16/75/22/207167522.db2.gz MQPORBWGDDOKSJ-OAHLLOKOSA-N 0 0 384.819 5.144 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344883 208077539 /nfs/dbraw/zinc/07/75/39/208077539.db2.gz XGTHAYIBGQYGDD-STQMWFEESA-N 0 0 385.634 5.297 50 5 GKBARN Cc1nc(CN(Cc2ccccc2[N+](=O)[O-])[C@@H](C)c2ccc(Cl)cc2)oc1C ZINC000089558285 208107301 /nfs/dbraw/zinc/10/73/01/208107301.db2.gz AJIBUYGYKAKVNW-HNNXBMFYSA-N 0 0 399.878 5.616 50 5 GKBARN O=c1c2ccccc2n2c3ccccc3sc2c1-c1nc2ccccc2s1 ZINC000002207724 208502750 /nfs/dbraw/zinc/50/27/50/208502750.db2.gz GCGYNMZDQZKFAV-UHFFFAOYSA-N 0 0 384.485 5.944 50 5 GKBARN CCCCOc1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 ZINC000006323534 208678432 /nfs/dbraw/zinc/67/84/32/208678432.db2.gz VLWWMGRSZPIWKC-UHFFFAOYSA-N 0 0 397.456 5.150 50 5 GKBARN CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1cccc([N+](=O)[O-])c1)CCCC3 ZINC000002282178 220516889 /nfs/dbraw/zinc/51/68/89/220516889.db2.gz MBRCJTRCCBBYQN-UHFFFAOYSA-N 0 0 393.439 5.737 50 5 GKBARN COc1ccc2c3cc4c(cc3oc(=O)c2c1)occ4-c1ccc2ccccc2c1 ZINC000002442918 220535495 /nfs/dbraw/zinc/53/54/95/220535495.db2.gz QFTTXYAQBHOXJC-UHFFFAOYSA-N 0 0 392.410 6.521 50 5 biogenic GKBARN CC(C)CCOc1ccccc1Cn1c2ccccc2c2nc3ccccc3nc21 ZINC000002668005 220552485 /nfs/dbraw/zinc/55/24/85/220552485.db2.gz VIYNAAABWATTPK-UHFFFAOYSA-N 0 0 395.506 6.211 50 5 GKBARN Cc1ccccc1Nc1nc2ccc([N+](=O)[O-])cc2nc1Nc1ccccc1C ZINC000002751409 220560749 /nfs/dbraw/zinc/56/07/49/220560749.db2.gz JQTQZDOJPKDGFC-UHFFFAOYSA-N 0 0 385.427 5.642 50 5 GKBARN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CSc2ccccc2)cc1 ZINC000002853853 220574495 /nfs/dbraw/zinc/57/44/95/220574495.db2.gz ZSPPZDMGFUHVRY-UHFFFAOYSA-N 0 0 378.453 5.448 50 5 GKBARN O=c1oc2ccc([N+](=O)[O-])cc2cc1-c1csc(Nc2ccccc2Cl)n1 ZINC000002956210 220588020 /nfs/dbraw/zinc/58/80/20/220588020.db2.gz ATERFZWBUGHBKY-UHFFFAOYSA-N 0 0 399.815 5.222 50 5 GKBARN Cc1c(=O)c2cc(Br)ccc2oc1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000003294707 220623118 /nfs/dbraw/zinc/62/31/18/220623118.db2.gz SHVWYJWXSKFDFQ-UHFFFAOYSA-N 0 0 394.608 5.093 50 5 GKBARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000004151126 220687235 /nfs/dbraw/zinc/68/72/35/220687235.db2.gz PRLCHSCPBQXNJH-UHFFFAOYSA-N 0 0 392.198 5.117 50 5 GKBARN COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)oc1ccccc12 ZINC000004704983 220751012 /nfs/dbraw/zinc/75/10/12/220751012.db2.gz YXWRIGOLKKKXRU-UHFFFAOYSA-N 0 0 396.786 5.409 50 5 GKBARN CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000006451059 220934881 /nfs/dbraw/zinc/93/48/81/220934881.db2.gz XKJQWSPIYNTMGW-UHFFFAOYSA-N 0 0 397.434 5.625 50 5 GKBARN CC(C)(C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)s1 ZINC000007844587 221014337 /nfs/dbraw/zinc/01/43/37/221014337.db2.gz BLCBNQVDGKRMCP-UHFFFAOYSA-N 0 0 396.472 5.181 50 5 GKBARN O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000008115116 221027233 /nfs/dbraw/zinc/02/72/33/221027233.db2.gz RQQYRQINBJGDCR-IBGZPJMESA-N 0 0 398.871 5.098 50 5 GKBARN O=c1[nH]c2ccc(-c3ccc(F)cc3)cc2c2c3cc4c(cc3sc21)OCO4 ZINC000011363968 221114782 /nfs/dbraw/zinc/11/47/82/221114782.db2.gz MYWUWBKDNJISDE-UHFFFAOYSA-N 0 0 389.407 5.431 50 5 GKBARN O=C(Nc1nc(-c2ccccc2)cs1)c1cccc2nc3ccccc3nc21 ZINC000012618942 221215301 /nfs/dbraw/zinc/21/53/01/221215301.db2.gz KCEQTEYWDNUBRH-UHFFFAOYSA-N 0 0 382.448 5.159 50 5 GKBARN Cc1ccc([C@@H]2C[C@@H]2c2nc3c4sc5nc(C)cc(C)c5c4ncn3n2)cc1 ZINC000013643586 221278565 /nfs/dbraw/zinc/27/85/65/221278565.db2.gz VRNKRRHPRBRCPM-HOTGVXAUSA-N 0 0 385.496 5.084 50 5 GKBARN COc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccccc2)cc1 ZINC000013510257 221270344 /nfs/dbraw/zinc/27/03/44/221270344.db2.gz XYMAGYCKTMIBCN-UHFFFAOYSA-N 0 0 389.458 6.107 50 5 GKBARN CCCCn1c2ccccc2nc1NCc1c2ccccc2cc2ccccc21 ZINC000013535034 221271166 /nfs/dbraw/zinc/27/11/66/221271166.db2.gz JWRYONUDILFPRF-UHFFFAOYSA-N 0 0 379.507 6.755 50 5 GKBARN CC(C)C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1 ZINC000014808945 221316855 /nfs/dbraw/zinc/31/68/55/221316855.db2.gz NGGGAMZZXFGJOQ-QFIPXVFZSA-N 0 0 398.506 5.058 50 5 GKBARN O=[N+]([O-])c1ccc(Sc2ccc(NC(=S)Nc3ccccc3)cc2)cc1 ZINC000018173226 221389168 /nfs/dbraw/zinc/38/91/68/221389168.db2.gz OLEPWSOHULYIRK-UHFFFAOYSA-N 0 0 381.482 5.555 50 5 GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(c1cccc(Cl)c1)CO2 ZINC000002116822 136193353 /nfs/dbraw/zinc/19/33/53/136193353.db2.gz DWNKYEMDZRSBHK-UHFFFAOYSA-N 0 0 377.827 5.265 50 5 biogenic GKBARN O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001079136 136196085 /nfs/dbraw/zinc/19/60/85/136196085.db2.gz OINYYGAQMLLPNN-UHFFFAOYSA-N 0 0 391.427 5.097 50 5 GKBARN Cc1ccc(NC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000012533835 136200444 /nfs/dbraw/zinc/20/04/44/136200444.db2.gz SBPFLVIVDGZPNA-CQSZACIVSA-N 0 0 387.867 5.045 50 5 GKBARN Cc1cc(Br)c(OC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1C ZINC000004793584 209083178 /nfs/dbraw/zinc/08/31/78/209083178.db2.gz CZOJGTFTTIMKNQ-UHFFFAOYSA-N 0 0 399.628 5.238 50 5 GKBARN Cc1cc(Oc2cccc(C(C)C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000037510264 221871201 /nfs/dbraw/zinc/87/12/01/221871201.db2.gz CBKNJEOZOFEXPF-UHFFFAOYSA-N 0 0 395.484 5.901 50 5 GKBARN CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1cc2ccccc2nc1Cl ZINC000057369390 222031914 /nfs/dbraw/zinc/03/19/14/222031914.db2.gz QZAFAYTWCGVEEU-UHFFFAOYSA-N 0 0 376.243 5.082 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCCC[C@H]1c1ccc(C)cc1 ZINC000064984867 222092146 /nfs/dbraw/zinc/09/21/46/222092146.db2.gz URHNXYQMTPFVFE-IBGZPJMESA-N 0 0 383.448 5.061 50 5 GKBARN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 ZINC000080344878 222307353 /nfs/dbraw/zinc/30/73/53/222307353.db2.gz XGTHAYIBGQYGDD-OLZOCXBDSA-N 0 0 385.634 5.297 50 5 GKBARN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000970785 534828842 /nfs/dbraw/zinc/82/88/42/534828842.db2.gz VVLFPAIBUWBPKD-UHFFFAOYSA-N 0 0 377.183 5.414 50 5 GKBARN O=C1c2ccccc2N[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(Cl)cc1 ZINC000000831395 527134141 /nfs/dbraw/zinc/13/41/41/527134141.db2.gz COXDFBQWPZBLSY-IBGZPJMESA-N 0 0 379.803 5.019 50 5 GKBARN O=C(Nc1c(Cl)cccc1Cl)c1cc2c(ccc3ccccc32)oc1=O ZINC000000715777 570220087 /nfs/dbraw/zinc/22/00/87/570220087.db2.gz CHFWPZJGZYAZHF-UHFFFAOYSA-N 0 0 384.218 5.505 50 5 GKBARN Cc1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c(=O)c1-c1ccccc1 ZINC000001454575 570227122 /nfs/dbraw/zinc/22/71/22/570227122.db2.gz SGCOYYSXLCLLNZ-UHFFFAOYSA-N 0 0 387.391 5.256 50 5 biogenic GKBARN CCCn1c2ccccc2c2nc3cc(OC(C)C)c(OC(C)C)cc3nc21 ZINC000001471330 570236727 /nfs/dbraw/zinc/23/67/27/570236727.db2.gz NXHJVOPWQCGACQ-UHFFFAOYSA-N 0 0 377.488 5.722 50 5 GKBARN C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000012866494 570269520 /nfs/dbraw/zinc/26/95/20/570269520.db2.gz VPJAWIILYLUBPW-OAHLLOKOSA-N 0 0 396.418 5.146 50 5 GKBARN CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc3ccccc3c21 ZINC000002190590 570278155 /nfs/dbraw/zinc/27/81/55/570278155.db2.gz MTWPSZWKKVZIKH-UHFFFAOYSA-N 0 0 383.491 6.529 50 5 GKBARN CCCOc1ccc(-c2cc(-c3cccnc3)nc3ccc4ccccc4c32)cc1 ZINC000002190916 570278490 /nfs/dbraw/zinc/27/84/90/570278490.db2.gz HLDLNPLYBYXXOO-UHFFFAOYSA-N 0 0 390.486 6.906 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(CSc2ccccc2)o1 ZINC000004826551 570283877 /nfs/dbraw/zinc/28/38/77/570283877.db2.gz ZBZRWBDNZWBCOH-UHFFFAOYSA-N 0 0 388.832 5.386 50 5 GKBARN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000000715471 570303124 /nfs/dbraw/zinc/30/31/24/570303124.db2.gz LPHICEXARNHJAW-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN CC(C)CC(=O)N1c2ccc([N+](=O)[O-])cc2-c2c(ssc2=S)C1(C)C ZINC000004836851 570311393 /nfs/dbraw/zinc/31/13/93/570311393.db2.gz PANKJNLGLQVTQK-UHFFFAOYSA-N 0 0 394.543 5.742 50 5 GKBARN Cc1ccc2cccc(NC(=O)c3sc4c(cccc4[N+](=O)[O-])c3Cl)c2n1 ZINC000004842110 570313320 /nfs/dbraw/zinc/31/33/20/570313320.db2.gz HMHLOERZDWYVFW-UHFFFAOYSA-N 0 0 397.843 5.572 50 5 GKBARN Cc1ccccc1Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 ZINC000002956214 570319776 /nfs/dbraw/zinc/31/97/76/570319776.db2.gz LTDKRQHSQYYZPN-UHFFFAOYSA-N 0 0 384.460 6.122 50 5 GKBARN O=C1[C@H](c2ccccc2)c2c(c3ccccc3c3ccccc23)[C@H]1c1ccccc1 ZINC000003051834 570327285 /nfs/dbraw/zinc/32/72/85/570327285.db2.gz AGWYEPSKPQEXTK-CLJLJLNGSA-N 0 0 384.478 6.840 50 5 GKBARN Cc1c(OCc2ccc(Cl)cc2Cl)ccc2c3ccccc3c(=O)oc12 ZINC000003214479 570332640 /nfs/dbraw/zinc/33/26/40/570332640.db2.gz RLSFZIJMKPQSMH-UHFFFAOYSA-N 0 0 385.246 6.140 50 5 GKBARN Cc1ccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000100284560 570349168 /nfs/dbraw/zinc/34/91/68/570349168.db2.gz ALHVZGJZPNESJX-QHCPKHFHSA-N 0 0 399.450 5.296 50 5 GKBARN CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004867422 570350754 /nfs/dbraw/zinc/35/07/54/570350754.db2.gz AOVZFCWTYKOTDC-UHFFFAOYSA-N 0 0 390.443 5.785 50 5 GKBARN COc1ccccc1NC(=O)c1cccc(Oc2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000004868362 570350948 /nfs/dbraw/zinc/35/09/48/570350948.db2.gz UFMMMCWCTBWIKE-UHFFFAOYSA-N 0 0 398.802 5.301 50 5 GKBARN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)C1c2ccccc2Oc2ccccc21 ZINC000004893108 570356857 /nfs/dbraw/zinc/35/68/57/570356857.db2.gz SUUHVTFKNWQDCK-UHFFFAOYSA-N 0 0 380.787 5.125 50 5 GKBARN COc1ccc([N+](=O)[O-])cc1Nc1c2cc(Cl)ccc2nc2c1CCCC2 ZINC000004923997 570370586 /nfs/dbraw/zinc/37/05/86/570370586.db2.gz VCZKLNGFOFBHFQ-UHFFFAOYSA-N 0 0 383.835 5.427 50 5 GKBARN Cc1cc(-n2c3ccccc3nc2-c2ccc([N+](=O)[O-])cc2)n(-c2ccccc2)n1 ZINC000000822240 570375463 /nfs/dbraw/zinc/37/54/63/570375463.db2.gz NVHAIHMHVSEXEQ-UHFFFAOYSA-N 0 0 395.422 5.095 50 5 GKBARN O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000100505764 570375609 /nfs/dbraw/zinc/37/56/09/570375609.db2.gz FMGASDMOOZLXOB-JOCHJYFZSA-N 0 0 386.432 5.845 50 5 GKBARN Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1[N+](=O)[O-] ZINC000000826553 570376840 /nfs/dbraw/zinc/37/68/40/570376840.db2.gz XFMOUVGGDXAXGD-UHFFFAOYSA-N 0 0 391.358 5.103 50 5 GKBARN Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(C(=O)c2ccccc2)c1 ZINC000090541487 570379234 /nfs/dbraw/zinc/37/92/34/570379234.db2.gz DWKRTZPRMPWYJW-UHFFFAOYSA-N 0 0 394.814 5.040 50 5 GKBARN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000000834092 570380652 /nfs/dbraw/zinc/38/06/52/570380652.db2.gz FOMLOVSEKYJZMI-UHFFFAOYSA-N 0 0 380.014 5.461 50 5 GKBARN O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cc(-c2cccs2)nc2ccccc21 ZINC000004965705 570382544 /nfs/dbraw/zinc/38/25/44/570382544.db2.gz HHGJQLSHYQNGAH-UHFFFAOYSA-N 0 0 393.399 5.263 50 5 GKBARN Cc1ccc(-c2nn(-c3cccc([N+](=O)[O-])c3)c3c2cnc2c(F)cccc32)cc1 ZINC000004970158 570385427 /nfs/dbraw/zinc/38/54/27/570385427.db2.gz IHLHNVKLJZQELN-UHFFFAOYSA-N 0 0 398.397 5.596 50 5 GKBARN Cc1cc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn32)ccc1[N+](=O)[O-] ZINC000004979963 570388638 /nfs/dbraw/zinc/38/86/38/570388638.db2.gz OSDWGLLSKXRCRV-UHFFFAOYSA-N 0 0 390.826 5.707 50 5 GKBARN O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000004993563 570390923 /nfs/dbraw/zinc/39/09/23/570390923.db2.gz RGNDMQQDDBMVRX-UHFFFAOYSA-N 0 0 376.290 5.126 50 5 GKBARN Cc1cccc(NC2=C[C@@H](c3ccc([N+](=O)[O-])cc3)N(c3cccc(C)c3)C2=O)c1 ZINC000100563500 570393401 /nfs/dbraw/zinc/39/34/01/570393401.db2.gz PWYMTFMBYYPEEY-QHCPKHFHSA-N 0 0 399.450 5.296 50 5 GKBARN Cc1c2cc(C)c(C)cc2oc1C(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000005012604 570395237 /nfs/dbraw/zinc/39/52/37/570395237.db2.gz RHUBECFGHUEDEL-UHFFFAOYSA-N 0 0 392.333 5.537 50 5 GKBARN O=c1oc2ccc(Cl)cc2c2cc(-c3ccccc3)n3c4ccccc4nc3c12 ZINC000024841224 570395717 /nfs/dbraw/zinc/39/57/17/570395717.db2.gz XFTFDWHZKBIJLB-UHFFFAOYSA-N 0 0 396.833 6.068 50 5 GKBARN COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3[N+](=O)[O-])oc2C)cc1 ZINC000005033230 570401597 /nfs/dbraw/zinc/40/15/97/570401597.db2.gz VWKQLBGFFISNMN-UHFFFAOYSA-N 0 0 386.791 5.078 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nnc(CSc3c(Cl)cccc3Cl)o2)cc1 ZINC000005038049 570403026 /nfs/dbraw/zinc/40/30/26/570403026.db2.gz HMYCBQAZYVAOOZ-UHFFFAOYSA-N 0 0 382.228 5.244 50 5 GKBARN COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 ZINC000005041717 570404596 /nfs/dbraw/zinc/40/45/96/570404596.db2.gz JYTNUZVPJBYSAE-UHFFFAOYSA-N 0 0 395.440 5.205 50 5 GKBARN Cc1ccc(-c2nnc(Sc3ccc(Cl)cc3[N+](=O)[O-])n2C)c(Cl)c1 ZINC000005065692 570409318 /nfs/dbraw/zinc/40/93/18/570409318.db2.gz FHDMIJNHDYMKRO-UHFFFAOYSA-N 0 0 395.271 5.157 50 5 GKBARN c1ccc2nc(-c3cc(-c4cccnc4)nc4ccc5ccccc5c43)ccc2c1 ZINC000004982086 570421332 /nfs/dbraw/zinc/42/13/32/570421332.db2.gz OWDJLOZWFKVAIG-UHFFFAOYSA-N 0 0 383.454 6.665 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc1 ZINC000005140158 570425456 /nfs/dbraw/zinc/42/54/56/570425456.db2.gz WBAONQJDHLQVPC-UHFFFAOYSA-N 0 0 399.454 5.445 50 5 GKBARN O=c1c2c(-c3ccccc3)nn(-c3ccccc3)c2nc2[nH]c3ccccc3cc1-2 ZINC000005450653 570440453 /nfs/dbraw/zinc/44/04/53/570440453.db2.gz PVGAASPHCHCTPI-UHFFFAOYSA-N 0 0 388.430 5.082 50 5 GKBARN Cc1cc(OCC(=O)c2ccc(Cl)cc2)cc2oc(=O)c3ccccc3c12 ZINC000011866761 570441721 /nfs/dbraw/zinc/44/17/21/570441721.db2.gz CHOUOSYGQUYDSD-UHFFFAOYSA-N 0 0 378.811 5.170 50 5 GKBARN O=[N+]([O-])c1ccc(/C=C\c2nc3cc(Cl)ccc3c(N3CCCCC3)n2)cc1 ZINC000033871552 570468091 /nfs/dbraw/zinc/46/80/91/570468091.db2.gz HUKFLSPHJOHQSM-WDZFZDKYSA-N 0 0 394.862 5.352 50 5 GKBARN Cc1c2c(cc3c4ccccc4c(=O)oc13)CN(Cc1ccccc1Cl)CO2 ZINC000054278206 570471050 /nfs/dbraw/zinc/47/10/50/570471050.db2.gz ZVCAYRDYLUAGHV-UHFFFAOYSA-N 0 0 391.854 5.260 50 5 biogenic GKBARN CCCCNC(=O)C[C@@H](c1c[nH]c2c1cccc2CC)c1cccc([N+](=O)[O-])c1 ZINC000035908166 570475892 /nfs/dbraw/zinc/47/58/92/570475892.db2.gz YXWFHDVIGOPGLM-HXUWFJFHSA-N 0 0 393.487 5.077 50 5 GKBARN O=C(OCc1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)nc2ccccc21 ZINC000006566593 570479728 /nfs/dbraw/zinc/47/97/28/570479728.db2.gz WFGHKNDHGCCWMC-UHFFFAOYSA-N 0 0 390.420 5.229 50 5 GKBARN Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nc2c1 ZINC000005165929 570485035 /nfs/dbraw/zinc/48/50/35/570485035.db2.gz TULFRNQOVUCJAA-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cccc(Cl)c1C ZINC000006720320 570489884 /nfs/dbraw/zinc/48/98/84/570489884.db2.gz IWCVOLQCJBLMNY-UHFFFAOYSA-N 0 0 390.870 5.064 50 5 GKBARN O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1[N+](=O)[O-] ZINC000006601363 570490934 /nfs/dbraw/zinc/49/09/34/570490934.db2.gz VNVPFWIOFLSKLH-UHFFFAOYSA-N 0 0 392.194 5.519 50 5 GKBARN Cc1cccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3)cc(-c3ccccc3)nc12 ZINC000002058759 570501652 /nfs/dbraw/zinc/50/16/52/570501652.db2.gz IZZZNTYJVIPNTK-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cc1cccc2c3nc4ccccc4nc3n(Cc3ccccc3OC(C)C)c21 ZINC000005345289 570560747 /nfs/dbraw/zinc/56/07/47/570560747.db2.gz VXQNZTTUXIPUDE-UHFFFAOYSA-N 0 0 381.479 5.882 50 5 GKBARN COc1ccccc1C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000004336159 570574532 /nfs/dbraw/zinc/57/45/32/570574532.db2.gz ZFGVLIZRJBQGLN-UHFFFAOYSA-N 0 0 380.366 5.006 50 5 GKBARN CSc1ccccc1NC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000006762938 570576384 /nfs/dbraw/zinc/57/63/84/570576384.db2.gz SOESGKVFEPNHMM-UHFFFAOYSA-N 0 0 388.832 5.482 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)cc1C ZINC000005417336 570588776 /nfs/dbraw/zinc/58/87/76/570588776.db2.gz MUALAPQEBMUVAS-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN Cc1nn(C2CCCCC2)c2c1[C@H](c1cccc([N+](=O)[O-])c1)SCC(=O)N2 ZINC000006785589 570591935 /nfs/dbraw/zinc/59/19/35/570591935.db2.gz RAIAUIAHOPERDU-SFHVURJKSA-N 0 0 386.477 5.029 50 5 GKBARN O=C(COc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Oc2ccccc2)cc1 ZINC000003416232 570606739 /nfs/dbraw/zinc/60/67/39/570606739.db2.gz UKTJLMJDIRKXPC-UHFFFAOYSA-N 0 0 398.802 5.058 50 5 GKBARN CCCC[C@@H](CC)Cn1cc(OC(C)=O)c2c3nc4ccccc4n3c(C)nc21 ZINC000005478471 570608540 /nfs/dbraw/zinc/60/85/40/570608540.db2.gz XFIWSGJKTJFNBS-QGZVFWFLSA-N 0 0 392.503 5.287 50 5 GKBARN O=C(Oc1ccccc1-c1nc2ccccc2s1)c1cccc([N+](=O)[O-])c1 ZINC000005510313 570618489 /nfs/dbraw/zinc/61/84/89/570618489.db2.gz UFYIBXYWNOWRTA-UHFFFAOYSA-N 0 0 376.393 5.091 50 5 GKBARN O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ZINC000004592455 570621382 /nfs/dbraw/zinc/62/13/82/570621382.db2.gz OLGBNTUFWNAMRI-UHFFFAOYSA-N 0 0 379.121 5.173 50 5 GKBARN Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000004592672 570621393 /nfs/dbraw/zinc/62/13/93/570621393.db2.gz TUEFTJZEENNHJQ-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(C(C)(C)C)c(Br)c1 ZINC000004599560 570621395 /nfs/dbraw/zinc/62/13/95/570621395.db2.gz VVEHOWUGGQISNV-UHFFFAOYSA-N 0 0 391.265 5.216 50 5 GKBARN CCCCOc1ccc(Cn2c3nc4ccccc4nc3c3cccc(C)c32)cc1 ZINC000005516262 570623875 /nfs/dbraw/zinc/62/38/75/570623875.db2.gz MGUGJAFSLRMKGL-UHFFFAOYSA-N 0 0 395.506 6.273 50 5 GKBARN CC(C)c1ccc(CN2CCCn3cccc3[C@H]2c2ccccc2[N+](=O)[O-])cc1 ZINC000036347806 570630239 /nfs/dbraw/zinc/63/02/39/570630239.db2.gz DLZOVIRRLWDBKQ-XMMPIXPASA-N 0 0 389.499 5.515 50 5 GKBARN Cc1nn(C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1C12CC3CC(CC(C3)C1)C2 ZINC000004651976 570631666 /nfs/dbraw/zinc/63/16/66/570631666.db2.gz XRLGRICJAZCQNN-UHFFFAOYSA-N 0 0 395.547 5.493 50 5 GKBARN Cc1cccc(CSc2nc(Oc3ccc([N+](=O)[O-])cc3)cc(C(C)C)n2)c1 ZINC000036349645 570633578 /nfs/dbraw/zinc/63/35/78/570633578.db2.gz XIENOMWWHOUTRL-UHFFFAOYSA-N 0 0 395.484 5.901 50 5 GKBARN CCc1cc(Oc2ccc(C)cc2C)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000036350224 570633899 /nfs/dbraw/zinc/63/38/99/570633899.db2.gz YTKXNOPPBASGMI-UHFFFAOYSA-N 0 0 395.484 5.649 50 5 GKBARN Cc1ccc(-c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 ZINC000000863011 570663928 /nfs/dbraw/zinc/66/39/28/570663928.db2.gz DCGCNBJOZYVMQI-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1[N+](=O)[O-] ZINC000004613389 570668077 /nfs/dbraw/zinc/66/80/77/570668077.db2.gz GFEPLTKMMVDXNY-UHFFFAOYSA-N 0 0 392.802 5.044 50 5 GKBARN Cc1cc(C)cc(Oc2ccc(-c3nnc(-c4ccccc4)o3)cc2[N+](=O)[O-])c1 ZINC000000868180 570677767 /nfs/dbraw/zinc/67/77/67/570677767.db2.gz SJVXAFRORUKUCC-UHFFFAOYSA-N 0 0 387.395 5.721 50 5 aggregator GKBARN O=[N+]([O-])c1ccc(CSc2nc3cc(C(F)(F)F)ccc3n2C2CC2)cc1 ZINC000004624028 570679252 /nfs/dbraw/zinc/67/92/52/570679252.db2.gz JWTUWFSGQAFWRY-UHFFFAOYSA-N 0 0 393.390 5.591 50 5 GKBARN O=[N+]([O-])c1ccc(-c2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000003123143 570680307 /nfs/dbraw/zinc/68/03/07/570680307.db2.gz YRUWHARBQSANBQ-UHFFFAOYSA-N 0 0 376.803 5.163 50 5 GKBARN O=[N+]([O-])c1c2cccc(Cl)c2c(Cc2ccccc2)c2cccc(Cl)c21 ZINC000003132884 570680803 /nfs/dbraw/zinc/68/08/03/570680803.db2.gz VYXOECQUFOQGOR-UHFFFAOYSA-N 0 0 382.246 6.799 50 5 GKBARN O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 ZINC000005670551 570717435 /nfs/dbraw/zinc/71/74/35/570717435.db2.gz NEBOVCJHINGZMF-UHFFFAOYSA-N 0 0 380.014 5.461 50 5 GKBARN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1 ZINC000000997947 570742582 /nfs/dbraw/zinc/74/25/82/570742582.db2.gz ULUHKYBKKCSQRG-UHFFFAOYSA-N 0 0 380.831 5.091 50 5 GKBARN Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1 ZINC000000985441 570743226 /nfs/dbraw/zinc/74/32/26/570743226.db2.gz SEDCAASEJJLQPO-QFIPXVFZSA-N 0 0 392.480 5.592 50 5 GKBARN COc1ccc(-c2[nH]c3ccccc3c2[C@H](C[N+](=O)[O-])c2ccc(F)cc2)cc1 ZINC000001004563 570745973 /nfs/dbraw/zinc/74/59/73/570745973.db2.gz OLNLJAZKIKTNQA-HXUWFJFHSA-N 0 0 390.414 5.391 50 5 GKBARN Cc1cc(-c2nnc(CSc3cc(Cl)ccc3Cl)o2)ccc1[N+](=O)[O-] ZINC000001043208 570748284 /nfs/dbraw/zinc/74/82/84/570748284.db2.gz FKHLHOAFIHLGAJ-UHFFFAOYSA-N 0 0 396.255 5.552 50 5 GKBARN Cc1nc2sc(-c3ccc([N+](=O)[O-])cc3)c(-n3cccc3)c2c(C)c1Cl ZINC000001072420 570751593 /nfs/dbraw/zinc/75/15/93/570751593.db2.gz UXDZCRIRVRHYEH-UHFFFAOYSA-N 0 0 383.860 5.932 50 5 GKBARN O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001122795 570754536 /nfs/dbraw/zinc/75/45/36/570754536.db2.gz JQXFVKJKXVKQRU-HXUWFJFHSA-N 0 0 395.798 5.029 50 5 GKBARN CCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)nc1-c1ccccc1 ZINC000001128977 570755713 /nfs/dbraw/zinc/75/57/13/570755713.db2.gz YAGHFICNVRBKMO-UHFFFAOYSA-N 0 0 387.848 5.186 50 5 GKBARN Cc1ccc(-c2cn3c4ccc5ccccc5c4nc3n2-c2ccc(C)cc2)cc1 ZINC000013509559 570756114 /nfs/dbraw/zinc/75/61/14/570756114.db2.gz SXPTZBOETZMASN-UHFFFAOYSA-N 0 0 387.486 6.715 50 5 GKBARN CCc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3C(F)(F)F)ccc12 ZINC000001155459 570757767 /nfs/dbraw/zinc/75/77/67/570757767.db2.gz BDQMFKPTDVHSBR-UHFFFAOYSA-N 0 0 379.290 5.075 50 5 GKBARN C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000007067918 570779666 /nfs/dbraw/zinc/77/96/66/570779666.db2.gz GTQYSVCVSFQTHY-INIZCTEOSA-N 0 0 378.428 5.007 50 5 GKBARN Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cccc1[N+](=O)[O-] ZINC000001170179 570787172 /nfs/dbraw/zinc/78/71/72/570787172.db2.gz GNMJFAHKJBRZAM-UHFFFAOYSA-N 0 0 389.436 5.432 50 5 GKBARN CCCc1sc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)c(C)c1 ZINC000001172661 570787392 /nfs/dbraw/zinc/78/73/92/570787392.db2.gz IZTYKLLQDSUCNV-UHFFFAOYSA-N 0 0 395.484 5.540 50 5 GKBARN O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000001179957 570789253 /nfs/dbraw/zinc/78/92/53/570789253.db2.gz LOMFSNXLUXYONN-IBGZPJMESA-N 0 0 382.416 5.206 50 5 GKBARN Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)oc2c1 ZINC000001180405 570790930 /nfs/dbraw/zinc/79/09/30/570790930.db2.gz IUTIAMJFZURENH-UHFFFAOYSA-N 0 0 387.395 5.272 50 5 GKBARN O=[N+]([O-])c1ccc([C@H]2Nc3ccccc3Nc3n[nH]c(-c4ccccc4)c32)cc1 ZINC000005827211 570795093 /nfs/dbraw/zinc/79/50/93/570795093.db2.gz YSEONLFNRBXEKN-HXUWFJFHSA-N 0 0 383.411 5.243 50 5 GKBARN CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005674329 570795289 /nfs/dbraw/zinc/79/52/89/570795289.db2.gz NABSXXZLUXIJIQ-LADGPHEKSA-N 0 0 399.450 5.400 50 5 GKBARN Cc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)c(C(C)C)cc1Br ZINC000005679171 570795324 /nfs/dbraw/zinc/79/53/24/570795324.db2.gz SXLCWIVJGJEHEY-UHFFFAOYSA-N 0 0 378.222 5.008 50 5 GKBARN Cc1cccc(-c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c3ccccc3n2)c1 ZINC000004652514 570805776 /nfs/dbraw/zinc/80/57/76/570805776.db2.gz GEHQQQQUMDTDOM-UHFFFAOYSA-N 0 0 383.407 5.371 50 5 GKBARN Cc1ccc(CNc2ccc(C(=O)Nc3cc(F)cc(F)c3)cc2[N+](=O)[O-])cc1 ZINC000004668115 570814470 /nfs/dbraw/zinc/81/44/70/570814470.db2.gz LSHRCJKWQUOLJR-UHFFFAOYSA-N 0 0 397.381 5.046 50 5 GKBARN O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004672934 570819945 /nfs/dbraw/zinc/81/99/45/570819945.db2.gz GJEBBKLBAZOPJU-UHFFFAOYSA-N 0 0 383.787 5.046 50 5 GKBARN O=C(c1c[nH]c2ccccc21)[C@@H](Sc1ncccc1[N+](=O)[O-])c1ccccc1 ZINC000065578335 570836482 /nfs/dbraw/zinc/83/64/82/570836482.db2.gz QLWOXCXPAVKWHR-FQEVSTJZSA-N 0 0 389.436 5.187 50 5 GKBARN O=C(c1ccc(Cl)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000004701947 570842502 /nfs/dbraw/zinc/84/25/02/570842502.db2.gz IGEQDOSDDNZWKB-UHFFFAOYSA-N 0 0 379.243 5.123 50 5 GKBARN O=C(c1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000004706638 570842887 /nfs/dbraw/zinc/84/28/87/570842887.db2.gz MWHOOTUDUKSBMQ-UHFFFAOYSA-N 0 0 379.243 5.123 50 5 GKBARN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 ZINC000004545551 570852938 /nfs/dbraw/zinc/85/29/38/570852938.db2.gz NGGISFSTYUQVBW-UGSOOPFHSA-N 0 0 399.516 5.626 50 5 GKBARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccc(Cl)c(Cl)c1 ZINC000004713453 570855879 /nfs/dbraw/zinc/85/58/79/570855879.db2.gz GHHCKNYNEWPLIK-UHFFFAOYSA-N 0 0 396.108 5.572 50 5 GKBARN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 ZINC000004545546 570856964 /nfs/dbraw/zinc/85/69/64/570856964.db2.gz PACITYLYJIACQT-XIKOKIGWSA-N 0 0 399.516 5.626 50 5 GKBARN O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC000004550361 570860968 /nfs/dbraw/zinc/86/09/68/570860968.db2.gz HIWISXDOKDZKME-UHFFFAOYSA-N 0 0 393.786 5.309 50 5 GKBARN Cc1ccc(-c2csc3ncnc(Oc4cccnc4[N+](=O)[O-])c23)cc1C ZINC000051185422 570876072 /nfs/dbraw/zinc/87/60/72/570876072.db2.gz QFOLSBXHVQTSLZ-UHFFFAOYSA-N 0 0 378.413 5.071 50 5 GKBARN O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000103107269 570876801 /nfs/dbraw/zinc/87/68/01/570876801.db2.gz YJJIXBKFIIGXBV-QHAWAJNXSA-N 0 0 377.827 5.628 50 5 GKBARN Cc1ccc(Sc2ccc(NC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)c(C)c1 ZINC000012595076 570884510 /nfs/dbraw/zinc/88/45/10/570884510.db2.gz OQEVEAWANORTPL-UHFFFAOYSA-N 0 0 392.480 5.924 50 5 GKBARN CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nc2c1 ZINC000005719449 570891532 /nfs/dbraw/zinc/89/15/32/570891532.db2.gz KYOXQLITSWFKEY-UHFFFAOYSA-N 0 0 391.383 5.119 50 5 GKBARN O=C(c1ccccc1)c1ccc(NCCc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000014813638 570901913 /nfs/dbraw/zinc/90/19/13/570901913.db2.gz NWLAWCSROSEHEQ-UHFFFAOYSA-N 0 0 397.434 5.029 50 5 GKBARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2cn(Cc3ccccc3)c3cccc(c23)N1 ZINC000263586191 570918028 /nfs/dbraw/zinc/91/80/28/570918028.db2.gz RCNBKVVOBVQFHN-LJQANCHMSA-N 0 0 397.434 5.072 50 5 biogenic GKBARN CCSc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000004585770 570919203 /nfs/dbraw/zinc/91/92/03/570919203.db2.gz PQRSNMFMRWKNCV-UHFFFAOYSA-N 0 0 385.470 5.083 50 5 GKBARN Cc1ccc(-c2csc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])n2)cc1C ZINC000004072646 570929768 /nfs/dbraw/zinc/92/97/68/570929768.db2.gz HWYACZIFWAXSOD-UHFFFAOYSA-N 0 0 387.848 5.241 50 5 GKBARN CCOc1cccc2sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc21 ZINC000004079234 570930784 /nfs/dbraw/zinc/93/07/84/570930784.db2.gz KUQHVDROLBUQCT-UHFFFAOYSA-N 0 0 399.453 5.070 50 5 GKBARN O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc2nc3ccccc3nc21 ZINC000005445525 570947357 /nfs/dbraw/zinc/94/73/57/570947357.db2.gz BRPJZJDVRHZQAE-UHFFFAOYSA-N 0 0 391.430 5.828 50 5 GKBARN Cc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] ZINC000002114761 570950382 /nfs/dbraw/zinc/95/03/82/570950382.db2.gz FGQXRILNIPUOGW-UHFFFAOYSA-N 0 0 383.231 5.008 50 5 GKBARN CCOC(=O)c1c2cc(OCc3cccc([N+](=O)[O-])c3)ccc2oc1C(C)(C)C ZINC000001302877 570956928 /nfs/dbraw/zinc/95/69/28/570956928.db2.gz BCDCUYMYHDDOCU-UHFFFAOYSA-N 0 0 397.427 5.394 50 5 biogenic GKBARN O=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c1 ZINC000001313442 570957469 /nfs/dbraw/zinc/95/74/69/570957469.db2.gz LARFSQLRRJKLFU-UHFFFAOYSA-N 0 0 393.406 5.034 50 5 GKBARN O=[N+]([O-])c1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)ccc1Cl ZINC000025782094 570958739 /nfs/dbraw/zinc/95/87/39/570958739.db2.gz RDGUKPMHFCXRJR-OXQOHEQNSA-N 0 0 395.802 5.084 50 5 GKBARN Cc1ccc(COn2c3cc([N+](=O)[O-])ccc3nc2-c2ccc(Cl)cc2)cc1 ZINC000001389375 570973752 /nfs/dbraw/zinc/97/37/52/570973752.db2.gz BCBYVCHAFOHBKM-UHFFFAOYSA-N 0 0 393.830 5.202 50 5 GKBARN Cc1ccc2c(c1)-c1nc(SCc3cccc([N+](=O)[O-])c3)ncc1CS2 ZINC000001403609 570981268 /nfs/dbraw/zinc/98/12/68/570981268.db2.gz AXDAEUOSQHVEEH-UHFFFAOYSA-N 0 0 381.482 5.258 50 5 GKBARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccccc1SC(F)F ZINC000023227493 570987943 /nfs/dbraw/zinc/98/79/43/570987943.db2.gz LUIDMYQWUSGMLA-JTQLQIEISA-N 0 0 384.429 5.029 50 5 GKBARN O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1 ZINC000004813021 570997787 /nfs/dbraw/zinc/99/77/87/570997787.db2.gz FGOIMVFSJPGQBG-UHFFFAOYSA-N 0 0 375.815 5.972 50 5 GKBARN Cc1ccc(-c2csc(-c3cc4cccc([N+](=O)[O-])c4oc3=O)n2)c(C)c1 ZINC000002205690 571003253 /nfs/dbraw/zinc/00/32/53/571003253.db2.gz FQVOQBVVALOVHA-UHFFFAOYSA-N 0 0 378.409 5.109 50 5 GKBARN Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2[N+](=O)[O-])cc1 ZINC000252605847 571006864 /nfs/dbraw/zinc/00/68/64/571006864.db2.gz GNLMGPOTFVBMHW-GMAHTHKFSA-N 0 0 385.423 5.146 50 5 GKBARN Cc1cc(Oc2ccc(C)c(C)c2)nc(SCc2cccc([N+](=O)[O-])c2)n1 ZINC000037510889 571021647 /nfs/dbraw/zinc/02/16/47/571021647.db2.gz MGTDFMAXSPPGIJ-UHFFFAOYSA-N 0 0 381.457 5.395 50 5 GKBARN COc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1Cc1ccccc1 ZINC000012780598 571034304 /nfs/dbraw/zinc/03/43/04/571034304.db2.gz HNFSFZBKKNLHLD-UHFFFAOYSA-N 0 0 396.830 5.100 50 5 GKBARN Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000001180699 230821941 /nfs/dbraw/zinc/82/19/41/230821941.db2.gz QNVAEBCXLFQHHV-HXUWFJFHSA-N 0 0 378.453 5.375 50 5 aggregator GKBARN O=[N+]([O-])c1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 ZINC000017079891 210202498 /nfs/dbraw/zinc/20/24/98/210202498.db2.gz FJRLFGAEWXTAQY-UHFFFAOYSA-N 0 0 391.377 5.452 50 5 GKBARN C[C@@H]1C[C@H](C)CN(C(=O)c2cccc(Oc3c(Cl)cccc3[N+](=O)[O-])c2)C1 ZINC000016184083 210186333 /nfs/dbraw/zinc/18/63/33/210186333.db2.gz KDOMNVROFXAFFA-OKILXGFUSA-N 0 0 388.851 5.159 50 5 GKBARN