smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]1N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC001591100108 991719203 /nfs/dbraw/zinc/71/92/03/991719203.db2.gz SDULIUKBOFBKHX-QGZVFWFLSA-N -1 1 348.399 3.069 20 5 EGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593718180 996239666 /nfs/dbraw/zinc/23/96/66/996239666.db2.gz ZUMFUPQQIFQTSZ-OUAUKWLOSA-N -1 1 346.305 3.241 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3N3CCCCC3)no2)[n-]1 ZINC000265044550 247157867 /nfs/dbraw/zinc/15/78/67/247157867.db2.gz RIZGHRMYAYRFQD-UHFFFAOYSA-N -1 1 340.343 3.025 20 5 EGBDMM Cc1ccc(C(C)(C)CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000174506329 207023701 /nfs/dbraw/zinc/02/37/01/207023701.db2.gz LBYZHKAQLYEBDB-UHFFFAOYSA-N -1 1 343.383 3.054 20 5 EGBDMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000350800430 141267425 /nfs/dbraw/zinc/26/74/25/141267425.db2.gz DTKMGIHPMGHSKU-VIFPVBQESA-N -1 1 332.809 3.105 20 5 EGBDMM Cc1cc2cn[nH]c2c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000351783505 144306063 /nfs/dbraw/zinc/30/60/63/144306063.db2.gz RUOYNAMDNZWZNV-UHFFFAOYSA-N -1 1 346.730 3.391 20 5 EGBDMM COCCN(CCCc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338933089 163392049 /nfs/dbraw/zinc/39/20/49/163392049.db2.gz GNFHMCBQIJCPNF-UHFFFAOYSA-N -1 1 344.411 3.382 20 5 EGBDMM O=C(Nc1cccc(Cl)c1OCC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000359904851 167263243 /nfs/dbraw/zinc/26/32/43/167263243.db2.gz IIAVXSKNIITEAG-UHFFFAOYSA-N -1 1 345.689 3.473 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)[n-]1 ZINC000265074198 275234138 /nfs/dbraw/zinc/23/41/38/275234138.db2.gz YABADWNCJXHFHG-UHFFFAOYSA-N -1 1 340.343 3.025 20 5 EGBDMM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC12CCCCC2 ZINC000274300932 275247498 /nfs/dbraw/zinc/24/74/98/275247498.db2.gz QMNOZXJJGWZRFA-GFCCVEGCSA-N -1 1 333.388 3.128 20 5 EGBDMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185697425 292670599 /nfs/dbraw/zinc/67/05/99/292670599.db2.gz LVMMAILJKDJGKS-GXTWGEPZSA-N -1 1 341.367 3.022 20 5 EGBDMM CCCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000078544038 307419846 /nfs/dbraw/zinc/41/98/46/307419846.db2.gz ALMKBOQHFDJTOW-UHFFFAOYSA-N -1 1 336.369 3.184 20 5 EGBDMM O=[N+]([O-])c1ccccc1N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000506943799 312055749 /nfs/dbraw/zinc/05/57/49/312055749.db2.gz RGXDWQXDJRTBBL-UHFFFAOYSA-N -1 1 347.802 3.276 20 5 EGBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000600673140 460563949 /nfs/dbraw/zinc/56/39/49/460563949.db2.gz CTFDTBGXDZTQCQ-NXEZZACHSA-N -1 1 328.315 3.016 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ccn(C)c2c1 ZINC000078001592 454175877 /nfs/dbraw/zinc/17/58/77/454175877.db2.gz ITPLPEJYLWXKDH-UHFFFAOYSA-N -1 1 345.380 3.196 20 5 EGBDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000161072772 455529512 /nfs/dbraw/zinc/52/95/12/455529512.db2.gz AJEQMHNZLDKSLA-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] ZINC000216131247 456028553 /nfs/dbraw/zinc/02/85/53/456028553.db2.gz ABNVBTOHQCBNKH-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188482428 456071166 /nfs/dbraw/zinc/07/11/66/456071166.db2.gz FFCIKBHSJXVYER-OAHLLOKOSA-N -1 1 329.356 3.165 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1[N+](=O)[O-] ZINC000354207441 457130092 /nfs/dbraw/zinc/13/00/92/457130092.db2.gz MRXFRMGUQCETPS-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000427377246 457979968 /nfs/dbraw/zinc/97/99/68/457979968.db2.gz WWENCHOYLPXHJR-UHFFFAOYSA-N -1 1 326.230 3.273 20 5 EGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)c1 ZINC000442224267 458997898 /nfs/dbraw/zinc/99/78/98/458997898.db2.gz PRINHHIKUBGKOK-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=c1cc(C(F)F)nc(SCCOc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000558464400 459163258 /nfs/dbraw/zinc/16/32/58/459163258.db2.gz RVPUFPYFXGTYCU-UHFFFAOYSA-N -1 1 343.311 3.199 20 5 EGBDMM CC(=O)c1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1[O-] ZINC000576782839 460211641 /nfs/dbraw/zinc/21/16/41/460211641.db2.gz SGWFRWOFWNQSFW-UHFFFAOYSA-N -1 1 334.715 3.409 20 5 EGBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(F)c1 ZINC000613509643 460976872 /nfs/dbraw/zinc/97/68/72/460976872.db2.gz BSIMZMIZCJCJKU-UHFFFAOYSA-N -1 1 332.331 3.192 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccco1 ZINC000187156066 534767768 /nfs/dbraw/zinc/76/77/68/534767768.db2.gz QRLVIAHDNZSNNH-LBPRGKRZSA-N -1 1 331.328 3.046 20 5 EGBDMM C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370699374 547790108 /nfs/dbraw/zinc/79/01/08/547790108.db2.gz LPTUBSFSCNHLGP-GXTWGEPZSA-N -1 1 341.367 3.104 20 5 EGBDMM O=[N+]([O-])c1cnc(SCc2cccc(Cl)c2)c(-c2nn[n-]n2)c1 ZINC000738374291 576319432 /nfs/dbraw/zinc/31/94/32/576319432.db2.gz MKWCXRAVGNAOHM-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM CC/C=C/C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832059101 1292950654 /nfs/dbraw/zinc/95/06/54/1292950654.db2.gz KBGIBSLIHNVPGN-ONEGZZNKSA-N -1 1 339.200 3.146 20 5 EGBDMM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000757362722 1300667156 /nfs/dbraw/zinc/66/71/56/1300667156.db2.gz BXTDIPPIULWJJI-KOLCDFICSA-N -1 1 332.809 3.105 20 5 EGBDMM COc1ccc([N-]C(=O)c2nc(Cl)ccc2F)c([N+](=O)[O-])c1 ZINC000759768332 1301158126 /nfs/dbraw/zinc/15/81/26/1301158126.db2.gz BYGPMNNCAHBVAA-UHFFFAOYSA-N -1 1 325.683 3.043 20 5 EGBDMM O=C(OCCCOc1ccc(F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049680 1303036300 /nfs/dbraw/zinc/03/63/00/1303036300.db2.gz QYPRIWPCYQVDFO-UHFFFAOYSA-N -1 1 335.287 3.065 20 5 EGBDMM CSc1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000780075105 1304635513 /nfs/dbraw/zinc/63/55/13/1304635513.db2.gz JBSTVIQPEQYFKB-UHFFFAOYSA-N -1 1 347.348 3.062 20 5 EGBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1ncoc1[C@H]1CCCO1 ZINC001324291260 1387583386 /nfs/dbraw/zinc/58/33/86/1387583386.db2.gz KRSITEVQLZIHIZ-SNVBAGLBSA-N -1 1 337.719 3.340 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cc(F)cnc2Br)ccc1[O-] ZINC001210392479 1372340597 /nfs/dbraw/zinc/34/05/97/1372340597.db2.gz DXQJJRMUXABZGE-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc3cc(C4CCC4)nn3c2)ccc1[O-] ZINC001210395696 1372341395 /nfs/dbraw/zinc/34/13/95/1372341395.db2.gz BRBDHNFXJPKDIA-UHFFFAOYSA-N -1 1 325.328 3.354 20 5 EGBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)cn1 ZINC001210394517 1372341475 /nfs/dbraw/zinc/34/14/75/1372341475.db2.gz XMSYKMDQGMKINB-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1Nc1ncc(Br)cc1[O-] ZINC001210443673 1372354482 /nfs/dbraw/zinc/35/44/82/1372354482.db2.gz KVJLAUMUUOZWCW-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM C[C@H]1CC[C@@H](COc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])O1 ZINC001227307163 1375418312 /nfs/dbraw/zinc/41/83/12/1375418312.db2.gz SANURAGSZWMWQS-QWRGUYRKSA-N -1 1 342.347 3.304 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC001228859673 1375696994 /nfs/dbraw/zinc/69/69/94/1375696994.db2.gz MZPBLCYTUAQLRG-ZETCQYMHSA-N -1 1 329.234 3.249 20 5 EGBDMM COC(=O)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1cccc(F)c1 ZINC001229750124 1375886390 /nfs/dbraw/zinc/88/63/90/1375886390.db2.gz KHYWHJXHRMUUGC-HNNXBMFYSA-N -1 1 335.287 3.041 20 5 EGBDMM C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736298982 1425059111 /nfs/dbraw/zinc/05/91/11/1425059111.db2.gz RKIYGWATFNKEAJ-MGPLVRAMSA-N -1 1 336.355 3.120 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823640076 1425097259 /nfs/dbraw/zinc/09/72/59/1425097259.db2.gz RCQWFTGZBRMMHN-QJPTWQEYSA-N -1 1 328.376 3.156 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1CSc1ccccc1-c1nnn[n-]1 ZINC000823640092 1426473032 /nfs/dbraw/zinc/47/30/32/1426473032.db2.gz SBLOOLDAYWTGSF-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM C[C@@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824649024 1441628601 /nfs/dbraw/zinc/62/86/01/1441628601.db2.gz KLADZERGLJYQQA-MRVPVSSYSA-N -1 1 346.297 3.226 20 5 EGBDMM O=[N+]([O-])c1cc(NCc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000823634817 1447181980 /nfs/dbraw/zinc/18/19/80/1447181980.db2.gz MQNZKAKBIXKFSY-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM Cc1cccc([C@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398033 958792158 /nfs/dbraw/zinc/79/21/58/958792158.db2.gz PLQUEJJWZPMAPB-HNNXBMFYSA-N -1 1 334.759 3.472 20 5 EGBDMM O=C([O-])C[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902006393 980684113 /nfs/dbraw/zinc/68/41/13/980684113.db2.gz FJMNTPKGQJZLLM-ZDUSSCGKSA-N -1 1 347.396 3.157 20 5 EGBDMM Cc1cc(N[C@H]2CN(C)Cc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910362238 981892040 /nfs/dbraw/zinc/89/20/40/981892040.db2.gz CNXLDJFXIASMCU-INIZCTEOSA-N -1 1 341.367 3.200 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000186727776 144142448 /nfs/dbraw/zinc/14/24/48/144142448.db2.gz ALKWQEKDNBMEKT-LLVKDONJSA-N -1 1 337.335 3.340 20 5 EGBDMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000192077546 153241021 /nfs/dbraw/zinc/24/10/21/153241021.db2.gz GXROOZYZMLIZNR-JTQLQIEISA-N -1 1 341.323 3.241 20 5 EGBDMM CCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1OC ZINC000355545024 166238311 /nfs/dbraw/zinc/23/83/11/166238311.db2.gz KMDKDQROLRFCAG-UHFFFAOYSA-N -1 1 344.327 3.437 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(C(F)(F)F)n3)no2)[n-]1 ZINC000356979832 166553770 /nfs/dbraw/zinc/55/37/70/166553770.db2.gz GSYRKMVYKWAAJQ-UHFFFAOYSA-N -1 1 325.206 3.054 20 5 EGBDMM Cc1cc(N2CC[C@](C(=O)[O-])(C(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000327686238 308771538 /nfs/dbraw/zinc/77/15/38/308771538.db2.gz PUVJQCFQWYOFJO-GOSISDBHSA-N -1 1 343.383 3.389 20 5 EGBDMM COc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1C ZINC000442222214 309879959 /nfs/dbraw/zinc/87/99/59/309879959.db2.gz UVNLTVXQKSTOEF-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000516784375 312342120 /nfs/dbraw/zinc/34/21/20/312342120.db2.gz WGOKKNSDGDUSSR-SCVCMEIPSA-N -1 1 346.836 3.351 20 5 EGBDMM Cc1cc2cc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)ccc2[nH]1 ZINC000031721969 453852566 /nfs/dbraw/zinc/85/25/66/453852566.db2.gz RQVGXTHSNHOLSX-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)c2C)o1 ZINC000097100840 454406217 /nfs/dbraw/zinc/40/62/17/454406217.db2.gz IYQJQWOXUFLHAT-UHFFFAOYSA-N -1 1 342.311 3.153 20 5 EGBDMM Cc1cccc2nc(CCC(=O)Nc3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC000092548942 454585528 /nfs/dbraw/zinc/58/55/28/454585528.db2.gz GWNHRNIBRFRMHG-UHFFFAOYSA-N -1 1 340.339 3.056 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000179390761 455043955 /nfs/dbraw/zinc/04/39/55/455043955.db2.gz NYXGONZNMPKRHP-NSHDSACASA-N -1 1 348.380 3.027 20 5 EGBDMM CSc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000337749343 456522702 /nfs/dbraw/zinc/52/27/02/456522702.db2.gz IFJAGDLEISBKAZ-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM O=C(Nc1cccc(COCc2ccco2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343364194 456561939 /nfs/dbraw/zinc/56/19/39/456561939.db2.gz KBTUPWBWSUEBHF-UHFFFAOYSA-N -1 1 341.323 3.485 20 5 EGBDMM O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340124972 457339676 /nfs/dbraw/zinc/33/96/76/457339676.db2.gz SOPADHXAEURGPJ-UHFFFAOYSA-N -1 1 345.746 3.073 20 5 EGBDMM C[C@@H]1CCc2[n-]n(-c3cc([N+](=O)[O-])ccc3Br)c(=O)c21 ZINC000871960196 1296632441 /nfs/dbraw/zinc/63/24/41/1296632441.db2.gz WBQHIDQAECEGOW-JMCQJSRRSA-N -1 1 338.161 3.106 20 5 EGBDMM O=C(OCc1noc(C2CCCCC2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076039 1304635046 /nfs/dbraw/zinc/63/50/46/1304635046.db2.gz QXDJVHZGRWWZLD-UHFFFAOYSA-N -1 1 347.327 3.088 20 5 EGBDMM CC(C)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000780076619 1304635414 /nfs/dbraw/zinc/63/54/14/1304635414.db2.gz SDUDQFUHVRACPF-QGZVFWFLSA-N -1 1 343.335 3.365 20 5 EGBDMM Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811832280 1318275610 /nfs/dbraw/zinc/27/56/10/1318275610.db2.gz ONYRENPVCBFDCO-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])cc1[N+](=O)[O-] ZINC000819900007 1319796564 /nfs/dbraw/zinc/79/65/64/1319796564.db2.gz YACUKISVOREXIE-UHFFFAOYSA-N -1 1 341.245 3.154 20 5 EGBDMM CC1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)CC1 ZINC000917936194 1319889477 /nfs/dbraw/zinc/88/94/77/1319889477.db2.gz VCKUGLNDRZHXQJ-UHFFFAOYSA-N -1 1 328.372 3.412 20 5 EGBDMM Nc1c(-c2cccc(Cl)c2)cnn1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001199802513 1369275081 /nfs/dbraw/zinc/27/50/81/1369275081.db2.gz TWPBFHJTQNGDJX-UHFFFAOYSA-N -1 1 330.731 3.389 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccc(OCC(F)(F)F)nc2)ccc1[O-] ZINC001210394532 1372341600 /nfs/dbraw/zinc/34/16/00/1372341600.db2.gz XUOLMVYUMMBQEH-UHFFFAOYSA-N -1 1 329.234 3.380 20 5 EGBDMM CCOC(=O)c1cc(Nc2cc(F)c(F)cc2[O-])cc([N+](=O)[O-])c1 ZINC001211374272 1372543133 /nfs/dbraw/zinc/54/31/33/1372543133.db2.gz MYCWYYUSJWKXOA-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001212893238 1372791574 /nfs/dbraw/zinc/79/15/74/1372791574.db2.gz SRVKYQBLXXCCFN-UHFFFAOYSA-N -1 1 325.206 3.054 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001226309339 1375236784 /nfs/dbraw/zinc/23/67/84/1375236784.db2.gz FDSMBWUTAKLRCK-GMTAPVOTSA-N -1 1 338.360 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC[C@H]1CC ZINC001226309682 1375236843 /nfs/dbraw/zinc/23/68/43/1375236843.db2.gz HUMFBAHFZAUKJT-PWSUYJOCSA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@H](C)CC[C@H]1C ZINC001226311252 1375237131 /nfs/dbraw/zinc/23/71/31/1375237131.db2.gz UYIDHIYQHQDIID-CKYFFXLPSA-N -1 1 338.360 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC)C[C@H](C)CC ZINC001226311505 1375237484 /nfs/dbraw/zinc/23/74/84/1375237484.db2.gz XEVAYWQBGZKBAI-MNOVXSKESA-N -1 1 340.376 3.466 20 5 EGBDMM CCC[C@@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])[C@H](C)CC ZINC001226310126 1375237880 /nfs/dbraw/zinc/23/78/80/1375237880.db2.gz MXDLODGEGFKCHJ-ZYHUDNBSSA-N -1 1 340.376 3.466 20 5 EGBDMM COc1ccc([N+](=O)[O-])c([N-][C@@H](c2ccccn2)C(F)(F)F)n1 ZINC001168478546 1383917584 /nfs/dbraw/zinc/91/75/84/1383917584.db2.gz QMQYTVLCZAGBST-NSHDSACASA-N -1 1 328.250 3.109 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001175734404 1385389684 /nfs/dbraw/zinc/38/96/84/1385389684.db2.gz IDDDOYDRNLTYGP-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM C[C@@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736190340 1430223423 /nfs/dbraw/zinc/22/34/23/1430223423.db2.gz DCVPDSSAGLGHKZ-MRVPVSSYSA-N -1 1 346.347 3.162 20 5 EGBDMM Cc1c(NCc2ccc([N+](=O)[O-])cc2Cl)cccc1-c1nnn[n-]1 ZINC000826242432 1441616338 /nfs/dbraw/zinc/61/63/38/1441616338.db2.gz OHAUALXEOOXSCN-UHFFFAOYSA-N -1 1 344.762 3.349 20 5 EGBDMM O=[N+]([O-])c1cccc2nc(C=Cc3ccccc3-c3nnn[n-]3)ccc21 ZINC000826500463 1446315903 /nfs/dbraw/zinc/31/59/03/1446315903.db2.gz ZEANMXGTAAUHTG-CMDGGOBGSA-N -1 1 344.334 3.494 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000823635048 1447244299 /nfs/dbraw/zinc/24/42/99/1447244299.db2.gz QIIOOCVVPPNJMG-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CC1CCCCC1 ZINC000187046255 144150713 /nfs/dbraw/zinc/15/07/13/144150713.db2.gz VFZRRHXHPJXQEQ-AWEZNQCLSA-N -1 1 333.388 3.270 20 5 EGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000340054357 155084968 /nfs/dbraw/zinc/08/49/68/155084968.db2.gz KSDFICJYUWNRKQ-UHFFFAOYSA-N -1 1 342.286 3.082 20 5 EGBDMM COC(=O)c1c[n-]c(SCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000193535373 266041657 /nfs/dbraw/zinc/04/16/57/266041657.db2.gz BLVHRSPHUKBMKJ-UHFFFAOYSA-N -1 1 327.749 3.050 20 5 EGBDMM CCc1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)onc1C(F)(F)F ZINC000274894894 267303340 /nfs/dbraw/zinc/30/33/40/267303340.db2.gz NBGNVBCXYIDAEA-UHFFFAOYSA-N -1 1 335.263 3.478 20 5 EGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000107308208 275171474 /nfs/dbraw/zinc/17/14/74/275171474.db2.gz JAANQOJKQIKJJL-SNVBAGLBSA-N -1 1 340.788 3.288 20 5 EGBDMM COc1cccc(C2(c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)CC2)c1 ZINC000289128070 276294386 /nfs/dbraw/zinc/29/43/86/276294386.db2.gz MWKFXYQFLXSKDT-UHFFFAOYSA-N -1 1 326.312 3.061 20 5 EGBDMM COc1ccc(-c2ccc(CN(CC(=O)[O-])C(C)C)o2)c([N+](=O)[O-])c1 ZINC000414670132 309094704 /nfs/dbraw/zinc/09/47/04/309094704.db2.gz YWURQVGCQLYRBW-UHFFFAOYSA-N -1 1 348.355 3.158 20 5 EGBDMM COc1ccc(Cc2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000570271481 317031104 /nfs/dbraw/zinc/03/11/04/317031104.db2.gz JQCHXKGHLSZZEH-UHFFFAOYSA-N -1 1 345.286 3.089 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000179390772 455043694 /nfs/dbraw/zinc/04/36/94/455043694.db2.gz NYXGONZNMPKRHP-LLVKDONJSA-N -1 1 348.380 3.027 20 5 EGBDMM COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191783444 455519334 /nfs/dbraw/zinc/51/93/34/455519334.db2.gz DDCSFQXOJHELSI-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cccc1[N+](=O)[O-] ZINC000271315799 455594388 /nfs/dbraw/zinc/59/43/88/455594388.db2.gz NCDNAHQGLSZHHK-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM O=C([N-]c1cc(F)cc(F)c1Br)c1ccc([N+](=O)[O-])o1 ZINC000189046554 456210311 /nfs/dbraw/zinc/21/03/11/456210311.db2.gz RHLLUIYOAQKQKE-UHFFFAOYSA-N -1 1 347.071 3.481 20 5 EGBDMM Cc1cc(N2CCC[C@@](C)(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326183605 456690668 /nfs/dbraw/zinc/69/06/68/456690668.db2.gz RDFBKFUTOVUXBW-QGZVFWFLSA-N -1 1 329.356 3.143 20 5 EGBDMM C[C@H]1CC[C@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000342778900 457519212 /nfs/dbraw/zinc/51/92/12/457519212.db2.gz KOCTTXDMTATMFE-SWLSCSKDSA-N -1 1 341.367 3.309 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000361228587 457656976 /nfs/dbraw/zinc/65/69/76/457656976.db2.gz QZVAGOJYNJFLKB-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000433144716 457764665 /nfs/dbraw/zinc/76/46/65/457764665.db2.gz NJYBIOFZWBIJBS-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ncc1[N+](=O)[O-] ZINC000372213453 458235185 /nfs/dbraw/zinc/23/51/85/458235185.db2.gz WLFMUVSHYPLIAE-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM Cc1cc(Cc2noc(-c3ccc([O-])cc3F)n2)ccc1[N+](=O)[O-] ZINC000436691184 458361261 /nfs/dbraw/zinc/36/12/61/458361261.db2.gz SDGXXNMUJMGEON-UHFFFAOYSA-N -1 1 329.287 3.389 20 5 EGBDMM CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000437334242 458445512 /nfs/dbraw/zinc/44/55/12/458445512.db2.gz UXEOANFHUSKXLQ-UHFFFAOYSA-N -1 1 332.809 3.107 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccccc2Cl)c(F)cc1[N+](=O)[O-] ZINC000590597504 459158172 /nfs/dbraw/zinc/15/81/72/459158172.db2.gz HXYZVOJBKSDLLX-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525687416 459478281 /nfs/dbraw/zinc/47/82/81/459478281.db2.gz BUOUQFMDJWIDOY-GFCCVEGCSA-N -1 1 341.433 3.017 20 5 EGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593744803 459970551 /nfs/dbraw/zinc/97/05/51/459970551.db2.gz JMCDOCWWIIBVFQ-HNNXBMFYSA-N -1 1 345.355 3.079 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1C ZINC000132265024 1293715229 /nfs/dbraw/zinc/71/52/29/1293715229.db2.gz DFXRMJKKVDMZSB-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000172723574 1294442911 /nfs/dbraw/zinc/44/29/11/1294442911.db2.gz COPYWXULZSYIGU-UHFFFAOYSA-N -1 1 337.238 3.342 20 5 EGBDMM CC(C)c1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000874695926 1298041365 /nfs/dbraw/zinc/04/13/65/1298041365.db2.gz VDMOJFNOKPDHMW-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM Cc1ccsc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725823538 1298370756 /nfs/dbraw/zinc/37/07/56/1298370756.db2.gz UMWDDQPWDNDXCY-UHFFFAOYSA-N -1 1 346.817 3.097 20 5 EGBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000768815114 1302985245 /nfs/dbraw/zinc/98/52/45/1302985245.db2.gz UPRFPGAVGMTFLS-MRVPVSSYSA-N -1 1 332.428 3.066 20 5 EGBDMM O=C(OCc1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])cc1F ZINC000773571148 1303708402 /nfs/dbraw/zinc/70/84/02/1303708402.db2.gz POVYOOUGBCJHJB-UHFFFAOYSA-N -1 1 325.679 3.450 20 5 EGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000790057463 1306257071 /nfs/dbraw/zinc/25/70/71/1306257071.db2.gz XODUPPOSKXUDNI-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CCC1 ZINC000791423718 1308989938 /nfs/dbraw/zinc/98/99/38/1308989938.db2.gz ZQDGEMAQJPDGIB-UHFFFAOYSA-N -1 1 339.200 3.123 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(C)o1 ZINC000800052111 1310662715 /nfs/dbraw/zinc/66/27/15/1310662715.db2.gz HAQAKCDUYZWSSS-UHFFFAOYSA-N -1 1 328.321 3.053 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3cccc(Cl)c3[O-])c-2cc1=O ZINC001210223800 1372297360 /nfs/dbraw/zinc/29/73/60/1372297360.db2.gz VUDNDZRBAOPMBY-UHFFFAOYSA-N -1 1 337.766 3.432 20 5 EGBDMM Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392141 1372340662 /nfs/dbraw/zinc/34/06/62/1372340662.db2.gz CELMRPPUOHTSGD-UHFFFAOYSA-N -1 1 330.731 3.389 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2nc(Br)cnc2Cl)ccc1[O-] ZINC001210392733 1372341558 /nfs/dbraw/zinc/34/15/58/1372341558.db2.gz IRIOJXWOXGUWLY-UHFFFAOYSA-N -1 1 345.540 3.250 20 5 EGBDMM Cc1c(Br)c[nH]c(=O)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396394 1372342231 /nfs/dbraw/zinc/34/22/31/1372342231.db2.gz QSFOGUABANSSMQ-UHFFFAOYSA-N -1 1 340.133 3.216 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001212893164 1372791526 /nfs/dbraw/zinc/79/15/26/1372791526.db2.gz PAAZTYPSLHMLHW-UHFFFAOYSA-N -1 1 326.099 3.342 20 5 EGBDMM O=[N+]([O-])c1cc(F)cc(Nc2nc(Br)ccc2[O-])c1 ZINC001216480508 1373310013 /nfs/dbraw/zinc/31/00/13/1373310013.db2.gz CNIDTHLDRAYPEY-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC3CCCC3)c12 ZINC001234125241 1376770982 /nfs/dbraw/zinc/77/09/82/1376770982.db2.gz PKKUZHPHKYKYOZ-UHFFFAOYSA-N -1 1 328.320 3.384 20 5 EGBDMM COCCn1c2cccc(F)c2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251386032 1377085482 /nfs/dbraw/zinc/08/54/82/1377085482.db2.gz QXJFYADIKYTJNJ-UHFFFAOYSA-N -1 1 331.303 3.103 20 5 EGBDMM COc1nc(C)c([N+](=O)[O-])c([N-][C@@H](c2ccccc2)C(F)(F)F)n1 ZINC001159763685 1381893445 /nfs/dbraw/zinc/89/34/45/1381893445.db2.gz KWLCUXHXZNBTRF-NSHDSACASA-N -1 1 342.277 3.417 20 5 EGBDMM CCc1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736691038 1429300818 /nfs/dbraw/zinc/30/08/18/1429300818.db2.gz MXOVDOBPFNKZFP-UHFFFAOYSA-N -1 1 343.318 3.055 20 5 EGBDMM CC[C@@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926367 1423779857 /nfs/dbraw/zinc/77/98/57/1423779857.db2.gz RZCJENINFKYHJG-CQSZACIVSA-N -1 1 342.334 3.477 20 5 EGBDMM CC[C@@H](C)[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820861457 1426807250 /nfs/dbraw/zinc/80/72/50/1426807250.db2.gz MVUZICBABOUALS-ZJUUUORDSA-N -1 1 341.375 3.170 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826293186 1427807900 /nfs/dbraw/zinc/80/79/00/1427807900.db2.gz DZKJCMOEEGKHDD-NSHDSACASA-N -1 1 325.328 3.223 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826499487 1443283869 /nfs/dbraw/zinc/28/38/69/1443283869.db2.gz KIXZFVJHOWHSON-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CCC[C@@]1(C)CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821026717 1447085180 /nfs/dbraw/zinc/08/51/80/1447085180.db2.gz AJEFZKMNFXWKIV-INIZCTEOSA-N -1 1 330.392 3.182 20 5 EGBDMM C[C@H]1CCCC[C@H]1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001576167652 949616803 /nfs/dbraw/zinc/61/68/03/949616803.db2.gz DHCMOZBQOBDEHM-RYUDHWBXSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@H]1CCCC[C@H]1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001576167652 949616813 /nfs/dbraw/zinc/61/68/13/949616813.db2.gz DHCMOZBQOBDEHM-RYUDHWBXSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@H]1CCCC[C@@H]1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001576167651 949617292 /nfs/dbraw/zinc/61/72/92/949617292.db2.gz DHCMOZBQOBDEHM-NWDGAFQWSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@H]1CCCC[C@@H]1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001576167651 949617308 /nfs/dbraw/zinc/61/73/08/949617308.db2.gz DHCMOZBQOBDEHM-NWDGAFQWSA-N -1 1 330.392 3.403 20 5 EGBDMM O=C([O-])[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001594843613 954107031 /nfs/dbraw/zinc/10/70/31/954107031.db2.gz MQDIQWZZCPYQNW-CQSZACIVSA-N -1 1 338.722 3.303 20 5 EGBDMM O=C([O-])[C@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594844067 954114960 /nfs/dbraw/zinc/11/49/60/954114960.db2.gz VHZSZTHXSROJOS-CQSZACIVSA-N -1 1 338.722 3.303 20 5 EGBDMM COc1cccc([C@@](C)(CC(=O)[O-])NCc2ccccc2[N+](=O)[O-])c1 ZINC001599656036 994581711 /nfs/dbraw/zinc/58/17/11/994581711.db2.gz RMNFEYKEHFWILO-GOSISDBHSA-N -1 1 344.367 3.083 20 5 EGBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594207495 998800111 /nfs/dbraw/zinc/80/01/11/998800111.db2.gz DQVSEQFLOGGGRH-PEGIJTEDSA-N -1 1 326.780 3.322 20 5 EGBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594207494 998800202 /nfs/dbraw/zinc/80/02/02/998800202.db2.gz DQVSEQFLOGGGRH-NXEZZACHSA-N -1 1 326.780 3.322 20 5 EGBDMM CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000265218468 247309219 /nfs/dbraw/zinc/30/92/19/247309219.db2.gz CSKKYGPIKUBKTD-DEOSSOPVSA-N -1 1 349.412 3.222 20 5 EGBDMM Cc1coc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000347912348 141215245 /nfs/dbraw/zinc/21/52/45/141215245.db2.gz URBUJUFOAXUMBR-UHFFFAOYSA-N -1 1 326.312 3.447 20 5 EGBDMM Cc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119490722 152208738 /nfs/dbraw/zinc/20/87/38/152208738.db2.gz RDPQNYOCPRITSX-UHFFFAOYSA-N -1 1 340.788 3.035 20 5 EGBDMM CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000341592620 155372821 /nfs/dbraw/zinc/37/28/21/155372821.db2.gz GVHVAELDVAVCBR-NSHDSACASA-N -1 1 344.371 3.012 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000171955843 323263971 /nfs/dbraw/zinc/26/39/71/323263971.db2.gz JJKYEJGSSZMWGE-UHFFFAOYSA-N -1 1 348.380 3.184 20 5 EGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000014257026 453526222 /nfs/dbraw/zinc/52/62/22/453526222.db2.gz HQUNTKJSIIHWGR-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1F ZINC000015243670 453562472 /nfs/dbraw/zinc/56/24/72/453562472.db2.gz ZVSNMKNEOPEADN-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000055663449 454004752 /nfs/dbraw/zinc/00/47/52/454004752.db2.gz PWXIZNPSQYKAAO-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000135668450 454697142 /nfs/dbraw/zinc/69/71/42/454697142.db2.gz HJSYOURCZRNQKN-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000192804901 455697788 /nfs/dbraw/zinc/69/77/88/455697788.db2.gz YNYFBPMWGFQATN-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)c1 ZINC000340790344 456687294 /nfs/dbraw/zinc/68/72/94/456687294.db2.gz TWLHUYSPXVYEMR-UHFFFAOYSA-N -1 1 328.296 3.333 20 5 EGBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000339215335 456995531 /nfs/dbraw/zinc/99/55/31/456995531.db2.gz UYZKPVHMBVWESD-MGPLVRAMSA-N -1 1 334.397 3.154 20 5 EGBDMM O=C(N[C@@H](CC1CCC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445142984 458019356 /nfs/dbraw/zinc/01/93/56/458019356.db2.gz WOQDWFCIKKAVIJ-HNNXBMFYSA-N -1 1 341.367 3.357 20 5 EGBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000369319119 458170348 /nfs/dbraw/zinc/17/03/48/458170348.db2.gz KKZKHBXFFUBSEA-LBPRGKRZSA-N -1 1 333.388 3.128 20 5 EGBDMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462723450 458647385 /nfs/dbraw/zinc/64/73/85/458647385.db2.gz ZWKCHMXRIKOSEX-VHSXEESVSA-N -1 1 334.825 3.351 20 5 EGBDMM O=C([O-])CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CCC1 ZINC000594539532 459084296 /nfs/dbraw/zinc/08/42/96/459084296.db2.gz BIQLZGZUEHJFBM-UHFFFAOYSA-N -1 1 330.340 3.294 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(F)c1 ZINC000568456931 459288527 /nfs/dbraw/zinc/28/85/27/459288527.db2.gz RAAYPNNCGLWXCF-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000568523149 459303477 /nfs/dbraw/zinc/30/34/77/459303477.db2.gz UQSICDOUHXOLRX-RNCFNFMXSA-N -1 1 346.305 3.299 20 5 EGBDMM CC(C)Oc1ccc(Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000355999694 1297463007 /nfs/dbraw/zinc/46/30/07/1297463007.db2.gz AQJZDPHVUQANPK-UHFFFAOYSA-N -1 1 328.328 3.351 20 5 EGBDMM O=C([O-])[C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000874051192 1297772130 /nfs/dbraw/zinc/77/21/30/1297772130.db2.gz LHKQBLARFAYKTQ-GFCCVEGCSA-N -1 1 347.396 3.015 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070592 1304635202 /nfs/dbraw/zinc/63/52/02/1304635202.db2.gz ZSFUGGSIIZXSSM-JTQLQIEISA-N -1 1 346.295 3.435 20 5 EGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000784216476 1305208317 /nfs/dbraw/zinc/20/83/17/1305208317.db2.gz QURSYGIPOJAWJD-VIFPVBQESA-N -1 1 332.268 3.127 20 5 EGBDMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c1 ZINC000788215848 1305898050 /nfs/dbraw/zinc/89/80/50/1305898050.db2.gz BFASGSPLMZZVRX-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)c(C)o1 ZINC000788216656 1305898536 /nfs/dbraw/zinc/89/85/36/1305898536.db2.gz NKOMJZCPDPLZQR-UHFFFAOYSA-N -1 1 330.749 3.259 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2nc(F)ccc2Br)ccc1[O-] ZINC001210393981 1372341091 /nfs/dbraw/zinc/34/10/91/1372341091.db2.gz KXVUDVRKFWNXGU-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM COc1cccc(-n2nccc2Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210395879 1372341591 /nfs/dbraw/zinc/34/15/91/1372341591.db2.gz HBAOYMNTIRDVTA-UHFFFAOYSA-N -1 1 326.312 3.238 20 5 EGBDMM CCOC(=O)c1cc(Nc2cc(Cl)ncc2[O-])cc([N+](=O)[O-])c1 ZINC001211369763 1372541988 /nfs/dbraw/zinc/54/19/88/1372541988.db2.gz MDIDWRPSXQXKMU-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM CCC[C@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001226310124 1375237360 /nfs/dbraw/zinc/23/73/60/1375237360.db2.gz MXDLODGEGFKCHJ-JQWIXIFHSA-N -1 1 340.376 3.466 20 5 EGBDMM CCC[C@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001226310657 1375237382 /nfs/dbraw/zinc/23/73/82/1375237382.db2.gz PQAZAHGCAYLLQM-NSHDSACASA-N -1 1 340.376 3.466 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@@H](C)CC[C@H]1C ZINC001226311256 1375237917 /nfs/dbraw/zinc/23/79/17/1375237917.db2.gz UYIDHIYQHQDIID-HOSYDEDBSA-N -1 1 338.360 3.076 20 5 EGBDMM C[C@@H]1COCC[C@H]1Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227311259 1375419206 /nfs/dbraw/zinc/41/92/06/1375419206.db2.gz ZDDRCAKBLXOLSB-QMTHXVAHSA-N -1 1 342.347 3.161 20 5 EGBDMM C[C@H](Cc1ccco1)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859651 1375696813 /nfs/dbraw/zinc/69/68/13/1375696813.db2.gz MMIZVYVYAMABQL-SSDOTTSWSA-N -1 1 332.234 3.317 20 5 EGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OC1Cc2ccccc2C1 ZINC001228862590 1375697802 /nfs/dbraw/zinc/69/78/02/1375697802.db2.gz OQSPLEAQOGCUBB-UHFFFAOYSA-N -1 1 340.257 3.260 20 5 EGBDMM COC(=O)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1F ZINC001229751650 1375886268 /nfs/dbraw/zinc/88/62/68/1375886268.db2.gz XHMXKEWIHOYHSZ-HNNXBMFYSA-N -1 1 335.287 3.041 20 5 EGBDMM COc1ccc(OC[C@@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cc1 ZINC001229753456 1375887332 /nfs/dbraw/zinc/88/73/32/1375887332.db2.gz JTDZGDZUKXVCFF-GFCCVEGCSA-N -1 1 333.340 3.464 20 5 EGBDMM COc1ccc([N+](=O)[O-])c([N-][C@H](c2ccccn2)C(F)(F)F)n1 ZINC001168478545 1383917727 /nfs/dbraw/zinc/91/77/27/1383917727.db2.gz QMQYTVLCZAGBST-LLVKDONJSA-N -1 1 328.250 3.109 20 5 EGBDMM COc1ccc(Nc2cc3ccc([O-])cc3oc2=O)cc1[N+](=O)[O-] ZINC001176363521 1385564770 /nfs/dbraw/zinc/56/47/70/1385564770.db2.gz PATUQLORKVDCTL-UHFFFAOYSA-N -1 1 328.280 3.159 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2cccc(F)c2-c2nnn[n-]2)cc1 ZINC000826498411 1426481017 /nfs/dbraw/zinc/48/10/17/1426481017.db2.gz TUUWCJPGAWTBTH-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM Cc1cccc([C@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737391217 1423651447 /nfs/dbraw/zinc/65/14/47/1423651447.db2.gz YEJVKXIKXRBSLU-GFCCVEGCSA-N -1 1 338.371 3.299 20 5 EGBDMM CCS[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455870 1426690948 /nfs/dbraw/zinc/69/09/48/1426690948.db2.gz MJYBVAQCAMLTAJ-CMPLNLGQSA-N -1 1 348.432 3.251 20 5 EGBDMM O=[N+]([O-])c1ccc(NCCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826499055 1426972190 /nfs/dbraw/zinc/97/21/90/1426972190.db2.gz UDCRERCMEXJMQS-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM Cc1ccc(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1C ZINC000822239772 1443252477 /nfs/dbraw/zinc/25/24/77/1443252477.db2.gz CZDFBGOVAXGTRE-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2ccc(Cl)c(-c3nnn[n-]3)n2)cc1 ZINC000826498278 1443390292 /nfs/dbraw/zinc/39/02/92/1443390292.db2.gz OEIPMZGAZPEION-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM O=[N+]([O-])c1cccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000826499423 1447321770 /nfs/dbraw/zinc/32/17/70/1447321770.db2.gz IEAMZKJMKGTFGH-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM C[C@@](CC(=O)[O-])(NCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592328048 977745211 /nfs/dbraw/zinc/74/52/11/977745211.db2.gz ILNXWFBFJIVZJX-KRWDZBQOSA-N -1 1 332.331 3.214 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000031555856 202206900 /nfs/dbraw/zinc/20/69/00/202206900.db2.gz MVARLCKHBVWGTJ-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CC(C)C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000262715224 245140370 /nfs/dbraw/zinc/14/03/70/245140370.db2.gz RMRAKJZHYREXLP-HNNXBMFYSA-N -1 1 332.356 3.444 20 5 EGBDMM C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186877008 144145401 /nfs/dbraw/zinc/14/54/01/144145401.db2.gz BEJIUYUOHSYECO-JTQLQIEISA-N -1 1 341.323 3.275 20 5 EGBDMM O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188416780 153015373 /nfs/dbraw/zinc/01/53/73/153015373.db2.gz UPUWVEIEVHULTB-OAHLLOKOSA-N -1 1 345.330 3.106 20 5 EGBDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c1 ZINC000132605595 162435621 /nfs/dbraw/zinc/43/56/21/162435621.db2.gz FXKBXBJFERINTB-UHFFFAOYSA-N -1 1 348.380 3.297 20 5 EGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCC(F)F ZINC000338924219 163387692 /nfs/dbraw/zinc/38/76/92/163387692.db2.gz FOMYANFUTUJAQY-UHFFFAOYSA-N -1 1 325.271 3.128 20 5 EGBDMM CC(C)C(=O)Nc1cccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c1 ZINC000355796154 166312349 /nfs/dbraw/zinc/31/23/49/166312349.db2.gz OGGSDUVOSCZQPG-UHFFFAOYSA-N -1 1 341.327 3.234 20 5 EGBDMM CC1(C)[C@@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000422067509 309353744 /nfs/dbraw/zinc/35/37/44/309353744.db2.gz OBHFIGFJPVBEHU-CQSZACIVSA-N -1 1 341.367 3.104 20 5 EGBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000426727227 309513902 /nfs/dbraw/zinc/51/39/02/309513902.db2.gz NQCDTXNXYLQRLO-CQSZACIVSA-N -1 1 338.722 3.303 20 5 EGBDMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444995497 309934490 /nfs/dbraw/zinc/93/44/90/309934490.db2.gz HXMFDBVEGPFXCG-CYBMUJFWSA-N -1 1 349.774 3.100 20 5 EGBDMM O=C([O-])c1cnc(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)s1 ZINC000600673379 460564264 /nfs/dbraw/zinc/56/42/64/460564264.db2.gz DRTJKUSATQRSDP-UHFFFAOYSA-N -1 1 347.396 3.129 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1[N+](=O)[O-] ZINC000006919693 453009117 /nfs/dbraw/zinc/00/91/17/453009117.db2.gz KYBWIMVGXCOGEL-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CCN(CC)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000092548817 454585032 /nfs/dbraw/zinc/58/50/32/454585032.db2.gz NMKATHQTGSCUEH-KRWDZBQOSA-N -1 1 343.383 3.322 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC000092865449 454647160 /nfs/dbraw/zinc/64/71/60/454647160.db2.gz WAIMZIKXFHMHNA-UHFFFAOYSA-N -1 1 342.323 3.123 20 5 EGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1[N+](=O)[O-] ZINC000189226238 456259016 /nfs/dbraw/zinc/25/90/16/456259016.db2.gz CLYRWQSYWSFVEY-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM COc1ccccc1-c1csc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000342937584 456325444 /nfs/dbraw/zinc/32/54/44/456325444.db2.gz VYKHBQYCLHWGNT-UHFFFAOYSA-N -1 1 344.352 3.307 20 5 EGBDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cc(F)cc([N+](=O)[O-])c1 ZINC000323752801 456656203 /nfs/dbraw/zinc/65/62/03/456656203.db2.gz TXNJBNDUBHDBDG-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000339062611 456922704 /nfs/dbraw/zinc/92/27/04/456922704.db2.gz GPQCVANRPUPBGM-UHFFFAOYSA-N -1 1 332.263 3.026 20 5 EGBDMM O=C(NC1CCC(c2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000339247853 457016655 /nfs/dbraw/zinc/01/66/55/457016655.db2.gz FLRRAEQZICVNKU-UHFFFAOYSA-N -1 1 341.367 3.152 20 5 EGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1[O-] ZINC000436674347 458357998 /nfs/dbraw/zinc/35/79/98/458357998.db2.gz RMRLFOCMBWBVHM-UHFFFAOYSA-N -1 1 336.347 3.426 20 5 EGBDMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462723448 458647544 /nfs/dbraw/zinc/64/75/44/458647544.db2.gz ZWKCHMXRIKOSEX-NXEZZACHSA-N -1 1 334.825 3.351 20 5 EGBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc([N+](=O)[O-])ccc1SC(C)C ZINC000590396705 459123755 /nfs/dbraw/zinc/12/37/55/459123755.db2.gz OEXLHIKYLRRXIY-UHFFFAOYSA-N -1 1 336.373 3.085 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C)c1 ZINC000485047700 459438134 /nfs/dbraw/zinc/43/81/34/459438134.db2.gz GASYKBJPOUBOHC-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000574039394 459771590 /nfs/dbraw/zinc/77/15/90/459771590.db2.gz OTECGERLHBBYQN-OLZOCXBDSA-N -1 1 336.388 3.067 20 5 EGBDMM O=c1cc(C(F)F)nc(SCCc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000584868943 459816109 /nfs/dbraw/zinc/81/61/09/459816109.db2.gz USLWHNABGNKMPJ-UHFFFAOYSA-N -1 1 327.312 3.363 20 5 EGBDMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc([N+](=O)[O-])cn2)c1=O ZINC000601933851 460950543 /nfs/dbraw/zinc/95/05/43/460950543.db2.gz UVLNACZRSIVMFT-QGZVFWFLSA-N -1 1 338.367 3.207 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000613517156 460978915 /nfs/dbraw/zinc/97/89/15/460978915.db2.gz ZGUVZJGVTRGRNT-UHFFFAOYSA-N -1 1 330.315 3.244 20 5 EGBDMM C[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000734498891 575502209 /nfs/dbraw/zinc/50/22/09/575502209.db2.gz ZPSVERJGYNKEHX-SECBINFHSA-N -1 1 334.825 3.209 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)ccc1Cl ZINC000007428283 1291074234 /nfs/dbraw/zinc/07/42/34/1291074234.db2.gz ZONSKWUEBFDUJW-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000055555690 1291785424 /nfs/dbraw/zinc/78/54/24/1291785424.db2.gz LOKCYGMCQYNLCU-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(Cl)c1 ZINC000192612222 1295783143 /nfs/dbraw/zinc/78/31/43/1295783143.db2.gz MZMKVHSXZJJAFV-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263401885 1296681095 /nfs/dbraw/zinc/68/10/95/1296681095.db2.gz IKRBSJLIXHXDFM-HNNXBMFYSA-N -1 1 330.340 3.294 20 5 EGBDMM Cc1ccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)cc1[N+](=O)[O-] ZINC000436901413 1297843194 /nfs/dbraw/zinc/84/31/94/1297843194.db2.gz MKQRXJFGWBRVKY-UHFFFAOYSA-N -1 1 341.279 3.055 20 5 EGBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000747360974 1298768492 /nfs/dbraw/zinc/76/84/92/1298768492.db2.gz DWELBRVXBDUXQA-SNVBAGLBSA-N -1 1 344.371 3.013 20 5 EGBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000747360973 1298768634 /nfs/dbraw/zinc/76/86/34/1298768634.db2.gz DWELBRVXBDUXQA-JTQLQIEISA-N -1 1 344.371 3.013 20 5 EGBDMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000757362724 1300667482 /nfs/dbraw/zinc/66/74/82/1300667482.db2.gz BXTDIPPIULWJJI-ONGXEEELSA-N -1 1 332.809 3.105 20 5 EGBDMM CCc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769050062 1303036312 /nfs/dbraw/zinc/03/63/12/1303036312.db2.gz ZFDJEZBFEZRZJD-NSHDSACASA-N -1 1 343.335 3.291 20 5 EGBDMM O=C(OCCCOc1ccc([N+](=O)[O-])cc1)c1ccc([O-])cc1F ZINC000773566866 1303706821 /nfs/dbraw/zinc/70/68/21/1303706821.db2.gz OZYXCGOXZHVOBO-UHFFFAOYSA-N -1 1 335.287 3.065 20 5 EGBDMM O=C(OCc1cccc(OC(F)F)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780072739 1304635300 /nfs/dbraw/zinc/63/53/00/1304635300.db2.gz UYGHKZJSODZPMJ-UHFFFAOYSA-N -1 1 339.250 3.259 20 5 EGBDMM Cc1onc(OC(F)F)c1[N-]C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000788111701 1305867582 /nfs/dbraw/zinc/86/75/82/1305867582.db2.gz NYKGVOMSHSTOSG-UHFFFAOYSA-N -1 1 347.661 3.398 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(CC(C)C)ns2)c1F ZINC000857648549 1328574402 /nfs/dbraw/zinc/57/44/02/1328574402.db2.gz BZXARWLOLYRYNZ-UHFFFAOYSA-N -1 1 338.364 3.345 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccc3ncc(Br)n3c2)ccc1[O-] ZINC001210393897 1372341158 /nfs/dbraw/zinc/34/11/58/1372341158.db2.gz KMXBDVINBKIKFH-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM C[C@@H]1CN(c2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 ZINC001210393473 1372341278 /nfs/dbraw/zinc/34/12/78/1372341278.db2.gz VTCDUIKZCMUSLB-TXEJJXNPSA-N -1 1 344.371 3.053 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)cc2F)ccc1[O-] ZINC001210393706 1372341806 /nfs/dbraw/zinc/34/18/06/1372341806.db2.gz YECWQYPFIOXZAJ-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM CCOC(=O)c1cnn(C(C)(C)C)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396537 1372342176 /nfs/dbraw/zinc/34/21/76/1372342176.db2.gz TZKLBEDNWAAGQS-UHFFFAOYSA-N -1 1 348.359 3.172 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001212892965 1372791061 /nfs/dbraw/zinc/79/10/61/1372791061.db2.gz GENFFYBNLMBFQW-UHFFFAOYSA-N -1 1 325.206 3.054 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc3nccc(Cl)c3c2)no1 ZINC001212893149 1372791273 /nfs/dbraw/zinc/79/12/73/1372791273.db2.gz OLIJSWZLTBJLEV-UHFFFAOYSA-N -1 1 342.702 3.237 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CCC(CC)CC1 ZINC001226309286 1375236723 /nfs/dbraw/zinc/23/67/23/1375236723.db2.gz DYUDUVMICVKPPE-UHFFFAOYSA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC(C)(C)C1 ZINC001226308969 1375236883 /nfs/dbraw/zinc/23/68/83/1375236883.db2.gz ARDIHELASJYCOU-JTQLQIEISA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC)C(C)(C)C ZINC001226309993 1375237698 /nfs/dbraw/zinc/23/76/98/1375237698.db2.gz LBFBEZRCHLUYRI-JTQLQIEISA-N -1 1 326.349 3.076 20 5 EGBDMM CCC[C@@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])C(C)(C)C ZINC001226310656 1375237744 /nfs/dbraw/zinc/23/77/44/1375237744.db2.gz PQAZAHGCAYLLQM-LLVKDONJSA-N -1 1 340.376 3.466 20 5 EGBDMM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001228605443 1375613551 /nfs/dbraw/zinc/61/35/51/1375613551.db2.gz HEROVUCIIOQUPG-ZETCQYMHSA-N -1 1 337.282 3.386 20 5 EGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCc2cccnc21 ZINC001228858673 1375695960 /nfs/dbraw/zinc/69/59/60/1375695960.db2.gz FVAMNIUWKSWGQH-SECBINFHSA-N -1 1 341.245 3.176 20 5 EGBDMM CCOC(=O)C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229397253 1375828506 /nfs/dbraw/zinc/82/85/06/1375828506.db2.gz FIASRLHHSRABCE-HNNXBMFYSA-N -1 1 331.324 3.374 20 5 EGBDMM CSCCCCCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826228035 1425278411 /nfs/dbraw/zinc/27/84/11/1425278411.db2.gz BYNJKARPBAROJG-UHFFFAOYSA-N -1 1 336.421 3.110 20 5 EGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000822000390 1429983484 /nfs/dbraw/zinc/98/34/84/1429983484.db2.gz MWQWHBVGLGUACV-QMMMGPOBSA-N -1 1 346.297 3.226 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823639864 1442104073 /nfs/dbraw/zinc/10/40/73/1442104073.db2.gz JNMBHYVHYPZMOI-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM Cc1c(COc2cc(Cl)ccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000822035314 1443090780 /nfs/dbraw/zinc/09/07/80/1443090780.db2.gz SFGROFFRPGNNIK-UHFFFAOYSA-N -1 1 345.746 3.316 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738371880 1446867029 /nfs/dbraw/zinc/86/70/29/1446867029.db2.gz YODMJLKOCFLYTF-KRWDZBQOSA-N -1 1 340.387 3.102 20 5 EGBDMM CN(Cc1ccccc1Cl)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821614923 945746146 /nfs/dbraw/zinc/74/61/46/945746146.db2.gz ZVWSNCBQGQLOSQ-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM CC[C@@](NCc1ccc(F)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595301359 980437783 /nfs/dbraw/zinc/43/77/83/980437783.db2.gz XXEBDRGUAOJZEK-KRWDZBQOSA-N -1 1 332.331 3.214 20 5 EGBDMM O=C([O-])CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1CC1 ZINC000901971114 980655032 /nfs/dbraw/zinc/65/50/32/980655032.db2.gz GMPDPALIDQMFOH-UHFFFAOYSA-N -1 1 332.381 3.372 20 5 EGBDMM CC[C@@H](CN(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194031403 240409330 /nfs/dbraw/zinc/40/93/30/240409330.db2.gz YTCBKHQNJSEVQM-ZDUSSCGKSA-N -1 1 343.383 3.351 20 5 EGBDMM CC(C)C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000262689392 245123353 /nfs/dbraw/zinc/12/33/53/245123353.db2.gz FRBFJDMDWUSSIX-OAHLLOKOSA-N -1 1 332.356 3.444 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007053328 140755334 /nfs/dbraw/zinc/75/53/34/140755334.db2.gz WHZZAEZTZAVCBE-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC2(C1)CCCCCC2 ZINC000174731854 144051544 /nfs/dbraw/zinc/05/15/44/144051544.db2.gz GQVLQKLYCYJRLG-UHFFFAOYSA-N -1 1 333.388 3.272 20 5 EGBDMM O=C([O-])c1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000263563181 154000142 /nfs/dbraw/zinc/00/01/42/154000142.db2.gz DDCGWKTXECKFSU-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM CSc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000337761030 154528774 /nfs/dbraw/zinc/52/87/74/154528774.db2.gz OYSBWNBGEOKBDS-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc2ccccc2s1 ZINC000189707011 265788504 /nfs/dbraw/zinc/78/85/04/265788504.db2.gz PVXJMHXUAMSBCV-SECBINFHSA-N -1 1 343.364 3.401 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](C1CC1)C1CCC1 ZINC000416513875 309172675 /nfs/dbraw/zinc/17/26/75/309172675.db2.gz YGYUBYPZSBMWRO-ZDUSSCGKSA-N -1 1 344.820 3.105 20 5 EGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(O)cccc1F ZINC000436895840 309779873 /nfs/dbraw/zinc/77/98/73/309779873.db2.gz ZELMRDZHWOOXKZ-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(F)c2F)cc1 ZINC000442234729 309880085 /nfs/dbraw/zinc/88/00/85/309880085.db2.gz PHNRPQRSJRFLDK-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452393280 310225534 /nfs/dbraw/zinc/22/55/34/310225534.db2.gz BATRZNYEBSYILO-HIFRSBDPSA-N -1 1 341.367 3.009 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452858451 310246082 /nfs/dbraw/zinc/24/60/82/310246082.db2.gz ROHADBCHATXUPH-ZDUSSCGKSA-N -1 1 344.342 3.459 20 5 EGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1Cl)c1c(F)ccc([O-])c1F ZINC000564330251 316138090 /nfs/dbraw/zinc/13/80/90/316138090.db2.gz KXDCYBLTPUTIQR-UHFFFAOYSA-N -1 1 342.685 3.162 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000068073502 453994022 /nfs/dbraw/zinc/99/40/22/453994022.db2.gz BZCQZXHEZRZGLO-UHFFFAOYSA-N -1 1 336.373 3.005 20 5 EGBDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000132604488 454350708 /nfs/dbraw/zinc/35/07/08/454350708.db2.gz IROYGQWGHQAQKU-UHFFFAOYSA-N -1 1 348.380 3.297 20 5 EGBDMM O=C(Nc1ncccc1[O-])c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000051341045 454620476 /nfs/dbraw/zinc/62/04/76/454620476.db2.gz CMSXQDJBVVFADB-UHFFFAOYSA-N -1 1 342.336 3.071 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1[N+](=O)[O-] ZINC000135601220 454693038 /nfs/dbraw/zinc/69/30/38/454693038.db2.gz MTEYFXHGBOEVAO-LLVKDONJSA-N -1 1 348.380 3.027 20 5 EGBDMM CCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2[N+](=O)[O-])c([O-])c1 ZINC000356793936 457169676 /nfs/dbraw/zinc/16/96/76/457169676.db2.gz CTMHHBWKHQHXLE-UHFFFAOYSA-N -1 1 344.323 3.038 20 5 EGBDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(C)c([N+](=O)[O-])c2)[n-]c1=O ZINC000347447191 457434063 /nfs/dbraw/zinc/43/40/63/457434063.db2.gz PTUMVPVTYFTNON-XFFZJAGNSA-N -1 1 343.339 3.136 20 5 EGBDMM C[C@H]1CCCc2ccccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445217975 458028337 /nfs/dbraw/zinc/02/83/37/458028337.db2.gz VHZCVOOLBOXDCO-ZBEGNZNMSA-N -1 1 341.367 3.139 20 5 EGBDMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)ccc1[N+](=O)[O-] ZINC000445466259 458053730 /nfs/dbraw/zinc/05/37/30/458053730.db2.gz YFQLNSBNXYJAAT-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc(Cl)cc1[O-] ZINC000436826877 458388046 /nfs/dbraw/zinc/38/80/46/458388046.db2.gz LZHKROLCGXLQOB-UHFFFAOYSA-N -1 1 334.759 3.269 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000520768482 459092157 /nfs/dbraw/zinc/09/21/57/459092157.db2.gz GUFOSTDIDCZWNR-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM C[C@@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000568943755 459368068 /nfs/dbraw/zinc/36/80/68/459368068.db2.gz BLJINRSMHWYFFI-SNVBAGLBSA-N -1 1 342.380 3.211 20 5 EGBDMM O=C([O-])C[C@H]1CCCCN1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000593744804 459971306 /nfs/dbraw/zinc/97/13/06/459971306.db2.gz JMCDOCWWIIBVFQ-OAHLLOKOSA-N -1 1 345.355 3.079 20 5 EGBDMM CCOc1cc([N-]C(=O)c2nccs2)c([N+](=O)[O-])cc1OCC ZINC000618632141 460094617 /nfs/dbraw/zinc/09/46/17/460094617.db2.gz DPSUAGRFCPHQKW-UHFFFAOYSA-N -1 1 337.357 3.101 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CC(=O)[O-])C1 ZINC000610896930 460258124 /nfs/dbraw/zinc/25/81/24/460258124.db2.gz DRYZGGCGXVCKOE-CYBMUJFWSA-N -1 1 336.388 3.069 20 5 EGBDMM CC(C)(C)CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000729485982 574865598 /nfs/dbraw/zinc/86/55/98/574865598.db2.gz CRIGJVOIYCLIAG-UHFFFAOYSA-N -1 1 332.397 3.229 20 5 EGBDMM CC(C)N(CCC(=O)[O-])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833498549 604645372 /nfs/dbraw/zinc/64/53/72/604645372.db2.gz STSZPLQKLZTMLU-UHFFFAOYSA-N -1 1 349.412 3.403 20 5 EGBDMM Cn1cc(C=C2SC(=S)[N-]C2=O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000063275067 1292006096 /nfs/dbraw/zinc/00/60/96/1292006096.db2.gz RFKJNWWUXAGFQT-WDZFZDKYSA-N -1 1 346.393 3.324 20 5 EGBDMM O=C([N-]c1ccccc1SC(F)(F)F)c1n[nH]cc1[N+](=O)[O-] ZINC000136788214 1293821717 /nfs/dbraw/zinc/82/17/17/1293821717.db2.gz IPEDCTLOUCEYGY-UHFFFAOYSA-N -1 1 332.263 3.182 20 5 EGBDMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725816823 1298369200 /nfs/dbraw/zinc/36/92/00/1298369200.db2.gz ZFZOPWMJIFQTGR-MWLCHTKSSA-N -1 1 332.809 3.105 20 5 EGBDMM CC(=O)c1ccc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000897565610 1310383563 /nfs/dbraw/zinc/38/35/63/1310383563.db2.gz OTINEVCZOTWIQT-UHFFFAOYSA-N -1 1 326.280 3.389 20 5 EGBDMM COc1cccc(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1[N+](=O)[O-] ZINC000800147578 1310683483 /nfs/dbraw/zinc/68/34/83/1310683483.db2.gz VXZYOWOGETZTNA-UHFFFAOYSA-N -1 1 349.274 3.211 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000800927808 1310837628 /nfs/dbraw/zinc/83/76/28/1310837628.db2.gz BVTIKMCYJXLZDB-UHFFFAOYSA-N -1 1 347.327 3.083 20 5 EGBDMM Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000815941978 1319078292 /nfs/dbraw/zinc/07/82/92/1319078292.db2.gz UPZRISFHFSWXAZ-UHFFFAOYSA-N -1 1 332.743 3.465 20 5 EGBDMM COc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1C(F)(F)F ZINC001210395942 1372341319 /nfs/dbraw/zinc/34/13/19/1372341319.db2.gz KIWGQNJHPMYUNA-UHFFFAOYSA-N -1 1 329.234 3.466 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001212893242 1372791103 /nfs/dbraw/zinc/79/11/03/1372791103.db2.gz SVULHWRYGSZCCD-UHFFFAOYSA-N -1 1 340.343 3.025 20 5 EGBDMM Cc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1C(F)(F)F ZINC001212893330 1372791406 /nfs/dbraw/zinc/79/14/06/1372791406.db2.gz YOWSJSZTBBDPAN-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM O=c1cc[n-]c(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225664711 1375140539 /nfs/dbraw/zinc/14/05/39/1375140539.db2.gz RLUCVAOFFNGQEK-ZIAGYGMSSA-N -1 1 330.340 3.212 20 5 EGBDMM C[C@@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1OC(F)(F)F ZINC001228140079 1375519856 /nfs/dbraw/zinc/51/98/56/1375519856.db2.gz FOEJKQCKYVQRAI-SSDOTTSWSA-N -1 1 345.233 3.129 20 5 EGBDMM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001228604409 1375614417 /nfs/dbraw/zinc/61/44/17/1375614417.db2.gz RZSPEMOBPWBBMB-ZETCQYMHSA-N -1 1 337.282 3.386 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cccnc1F ZINC001228860227 1375697499 /nfs/dbraw/zinc/69/74/99/1375697499.db2.gz RHFUVQAIPXUBJF-ZCFIWIBFSA-N -1 1 347.224 3.388 20 5 EGBDMM CCCC(=O)c1ccc([O-])cc1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001233650077 1376691427 /nfs/dbraw/zinc/69/14/27/1376691427.db2.gz GLGHNUWZYJRYEF-LLVKDONJSA-N -1 1 347.371 3.256 20 5 EGBDMM O=[N+]([O-])c1ccc2nc(Oc3ccccc3-c3nn[n-]n3)sc2c1 ZINC000738366092 1429513457 /nfs/dbraw/zinc/51/34/57/1429513457.db2.gz BWCLPBUNRYBLHR-UHFFFAOYSA-N -1 1 340.324 3.177 20 5 EGBDMM CC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1nc(C)cs1 ZINC000736369049 1427699154 /nfs/dbraw/zinc/69/91/54/1427699154.db2.gz KFVJDQYPLSJCJY-LLVKDONJSA-N -1 1 345.388 3.103 20 5 EGBDMM C[C@H](Nc1ccc([N+](=O)[O-])cc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000820462269 1430207063 /nfs/dbraw/zinc/20/70/63/1430207063.db2.gz WQQXHHXQSLXDHO-VIFPVBQESA-N -1 1 328.307 3.087 20 5 EGBDMM O=[N+]([O-])c1cccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000826499634 1443205753 /nfs/dbraw/zinc/20/57/53/1443205753.db2.gz QJJUYDBQHYGVFT-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@]1(C)C(=O)[O-] ZINC001599930044 985295569 /nfs/dbraw/zinc/29/55/69/985295569.db2.gz MCDKTDPAGOADCP-RTHLEPHNSA-N -1 1 347.198 3.444 20 5 EGBDMM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001593353971 994986595 /nfs/dbraw/zinc/98/65/95/994986595.db2.gz HGMLWPVJVDGUIV-CHWSQXEVSA-N -1 1 344.367 3.470 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000351514284 144272521 /nfs/dbraw/zinc/27/25/21/144272521.db2.gz OBRPIYTZBKCIKL-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1 ZINC000191564886 153208433 /nfs/dbraw/zinc/20/84/33/153208433.db2.gz FHIBPYLKHKGWSZ-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1nc2cccc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])c2[nH]1 ZINC000338550904 163269808 /nfs/dbraw/zinc/26/98/08/163269808.db2.gz GELGRYUXNNJUFG-UHFFFAOYSA-N -1 1 346.730 3.391 20 5 EGBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])cc(C)c2F)s1 ZINC000277288434 267748268 /nfs/dbraw/zinc/74/82/68/267748268.db2.gz CRDPXAOLTQDMGV-UHFFFAOYSA-N -1 1 338.364 3.489 20 5 EGBDMM C[C@@H](c1ccccc1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000287937905 276170776 /nfs/dbraw/zinc/17/07/76/276170776.db2.gz RHSOCLNMGDCHGN-NSHDSACASA-N -1 1 327.340 3.061 20 5 EGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000563640151 316050369 /nfs/dbraw/zinc/05/03/69/316050369.db2.gz DAADAHRNSVAWGP-UHFFFAOYSA-N -1 1 346.364 3.477 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CSc4ccccc4O3)no2)[n-]1 ZINC000351046806 324158296 /nfs/dbraw/zinc/15/82/96/324158296.db2.gz ALIGPGOAYAMGNZ-JTQLQIEISA-N -1 1 330.325 3.199 20 5 EGBDMM NC(=O)c1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)ccc1[O-] ZINC000055050716 453958065 /nfs/dbraw/zinc/95/80/65/453958065.db2.gz OFCXZHQHVDEUOR-UHFFFAOYSA-N -1 1 341.348 3.190 20 5 EGBDMM COCCn1nc(C)c([N-]c2nc3ccccc3cc2[N+](=O)[O-])c1C ZINC000276600337 456527431 /nfs/dbraw/zinc/52/74/31/456527431.db2.gz KMWQFOBBPVRQEY-UHFFFAOYSA-N -1 1 341.371 3.346 20 5 EGBDMM Cc1cc(N2CC[C@@](C(=O)[O-])(C(C)C)C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000327686239 456707668 /nfs/dbraw/zinc/70/76/68/456707668.db2.gz PUVJQCFQWYOFJO-SFHVURJKSA-N -1 1 343.383 3.389 20 5 EGBDMM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000354499209 457258651 /nfs/dbraw/zinc/25/86/51/457258651.db2.gz ZVLLFLXXUFTVPB-UHFFFAOYSA-N -1 1 340.217 3.335 20 5 EGBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445005232 458004554 /nfs/dbraw/zinc/00/45/54/458004554.db2.gz RAWUFSGHZQMWOX-CQSZACIVSA-N -1 1 349.774 3.476 20 5 EGBDMM O=[N+]([O-])c1ccc(Cc2noc(-c3cc4ccccc4cc3[O-])n2)nc1 ZINC000436945135 458411137 /nfs/dbraw/zinc/41/11/37/458411137.db2.gz SBSQSDMBLYXCOK-UHFFFAOYSA-N -1 1 348.318 3.489 20 5 EGBDMM CCSc1ccc(Cl)cc1[N-]C(=O)c1c[nH]nc1[N+](=O)[O-] ZINC000547757577 458787406 /nfs/dbraw/zinc/78/74/06/458787406.db2.gz NADLHADQHYPNSP-UHFFFAOYSA-N -1 1 326.765 3.336 20 5 EGBDMM O=C(Nc1cccc(Cl)c1-n1cccn1)c1ccc([N+](=O)[O-])[n-]1 ZINC000556682358 458988536 /nfs/dbraw/zinc/98/85/36/458988536.db2.gz NFYDPMLLNBGORD-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EGBDMM COc1ccc(NC(=O)c2cccc(SC)c2[N+](=O)[O-])c([O-])c1 ZINC000442688052 459023248 /nfs/dbraw/zinc/02/32/48/459023248.db2.gz KGPWYMSYWBDUPW-UHFFFAOYSA-N -1 1 334.353 3.283 20 5 EGBDMM C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519967066 459025858 /nfs/dbraw/zinc/02/58/58/459025858.db2.gz SDWYFRPUUOUKOE-GHMZBOCLSA-N -1 1 346.836 3.353 20 5 EGBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000568523151 459303346 /nfs/dbraw/zinc/30/33/46/459303346.db2.gz UQSICDOUHXOLRX-ZANVPECISA-N -1 1 346.305 3.299 20 5 EGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000593738469 459969506 /nfs/dbraw/zinc/96/95/06/459969506.db2.gz SJCDYCKSIGARFG-HUUCEWRRSA-N -1 1 336.413 3.153 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000618391659 459995569 /nfs/dbraw/zinc/99/55/69/459995569.db2.gz TWNIXKXJTUXDIE-CDNLZTBQSA-N -1 1 339.351 3.013 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000613517021 460978382 /nfs/dbraw/zinc/97/83/82/460978382.db2.gz GMRLTRUXQRSAPU-UHFFFAOYSA-N -1 1 330.315 3.244 20 5 EGBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000174990163 534892833 /nfs/dbraw/zinc/89/28/33/534892833.db2.gz DHHFBVLOLNRXEW-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000743252170 576804040 /nfs/dbraw/zinc/80/40/40/576804040.db2.gz ODWKUXWKXALAHV-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)s1 ZINC000769048837 1303036490 /nfs/dbraw/zinc/03/64/90/1303036490.db2.gz SCMBXGTZQGXRFJ-UHFFFAOYSA-N -1 1 335.337 3.018 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC000780362445 1304681586 /nfs/dbraw/zinc/68/15/86/1304681586.db2.gz CLSSTJJBQWCFJJ-UHFFFAOYSA-N -1 1 328.296 3.333 20 5 EGBDMM O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(O)cc([N+](=O)[O-])c1 ZINC000805257640 1317334638 /nfs/dbraw/zinc/33/46/38/1317334638.db2.gz BFFSHGJHZWFBIA-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM CC(C)(C)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809810814 1317905477 /nfs/dbraw/zinc/90/54/77/1317905477.db2.gz NYXAIOCGWFBTRM-UHFFFAOYSA-N -1 1 341.216 3.226 20 5 EGBDMM O=[N+]([O-])c1ccc(Nc2ccc(F)c(Br)c2[O-])cn1 ZINC001203581336 1370177932 /nfs/dbraw/zinc/17/79/32/1370177932.db2.gz TYOREXGXBGLJNK-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3ccc(Cl)c([O-])c3)c-2cc1=O ZINC001212594239 1372735063 /nfs/dbraw/zinc/73/50/63/1372735063.db2.gz VKUSGZOMLKOVJU-UHFFFAOYSA-N -1 1 337.766 3.432 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc3nccc(Cl)c32)no1 ZINC001212893271 1372791612 /nfs/dbraw/zinc/79/16/12/1372791612.db2.gz VEDKHFCIQTXGOF-UHFFFAOYSA-N -1 1 342.702 3.237 20 5 EGBDMM Cc1ccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)cc1 ZINC001212972912 1372809156 /nfs/dbraw/zinc/80/91/56/1372809156.db2.gz LUACZXFVWUATHL-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001225664519 1375140478 /nfs/dbraw/zinc/14/04/78/1375140478.db2.gz PSTQHKCDYRHGDM-LURJTMIESA-N -1 1 347.224 3.388 20 5 EGBDMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001227173344 1375402400 /nfs/dbraw/zinc/40/24/00/1375402400.db2.gz XSZDNEQAVHHGED-NSHDSACASA-N -1 1 331.324 3.270 20 5 EGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@@H]1CCC(F)(F)C1 ZINC001228860304 1375696840 /nfs/dbraw/zinc/69/68/40/1375696840.db2.gz SSYOMLSEEGFHBF-RXMQYKEDSA-N -1 1 328.193 3.281 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccncc1 ZINC001228861614 1375697141 /nfs/dbraw/zinc/69/71/41/1375697141.db2.gz GFAFYVBMJMIYSR-SSDOTTSWSA-N -1 1 329.234 3.249 20 5 EGBDMM CCCCOC[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860433 1375697688 /nfs/dbraw/zinc/69/76/88/1375697688.db2.gz UOGZNCHQBBDWPO-MRVPVSSYSA-N -1 1 338.282 3.298 20 5 EGBDMM C[C@H]1COCC[C@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514483 1375850229 /nfs/dbraw/zinc/85/02/29/1375850229.db2.gz IRFGKYORKXPMAW-MEDUHNTESA-N -1 1 326.348 3.456 20 5 EGBDMM Cc1ccc(N2CCC(Oc3cc([N+](=O)[O-])c(C)cc3[O-])CC2)nc1 ZINC001229753406 1375885827 /nfs/dbraw/zinc/88/58/27/1375885827.db2.gz IUCNECXNGGHEEJ-UHFFFAOYSA-N -1 1 343.383 3.360 20 5 EGBDMM COc1cccc(OC[C@@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])c1 ZINC001229752611 1375886204 /nfs/dbraw/zinc/88/62/04/1375886204.db2.gz CGLNBZVSQZYRJJ-GFCCVEGCSA-N -1 1 333.340 3.464 20 5 EGBDMM CCC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccn1 ZINC000736435367 1428452130 /nfs/dbraw/zinc/45/21/30/1428452130.db2.gz GLFJURRZXWSXGI-ZDUSSCGKSA-N -1 1 339.359 3.123 20 5 EGBDMM COCc1ccc(Sc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000821695784 1426227868 /nfs/dbraw/zinc/22/78/68/1426227868.db2.gz ILWQGIZIEAIBHT-UHFFFAOYSA-N -1 1 343.368 3.073 20 5 EGBDMM CCC(CC)(CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)SC ZINC000820887487 1427078472 /nfs/dbraw/zinc/07/84/72/1427078472.db2.gz DXLQHDCFFGWNQF-UHFFFAOYSA-N -1 1 336.421 3.109 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822271247 1427874961 /nfs/dbraw/zinc/87/49/61/1427874961.db2.gz SURVKUDPWRFPSY-UHFFFAOYSA-N -1 1 331.332 3.374 20 5 EGBDMM O=[N+]([O-])c1cccc(F)c1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823647160 1428005683 /nfs/dbraw/zinc/00/56/83/1428005683.db2.gz HEGAEELWVPWNQB-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cccc(F)c1CSc1ccc(-c2nnn[n-]2)cc1 ZINC000738370672 1443604839 /nfs/dbraw/zinc/60/48/39/1443604839.db2.gz XRSOVYQOVUUBNZ-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826498406 1443661040 /nfs/dbraw/zinc/66/10/40/1443661040.db2.gz SVRFYZHWFQUBGK-UHFFFAOYSA-N -1 1 348.366 3.069 20 5 EGBDMM Cc1ccccc1[C@@H](C)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000737424802 1446846514 /nfs/dbraw/zinc/84/65/14/1446846514.db2.gz XNZWLUSZECKDLF-GFCCVEGCSA-N -1 1 338.371 3.281 20 5 EGBDMM C[C@@H]1CCCC[C@H]1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001576167650 949617133 /nfs/dbraw/zinc/61/71/33/949617133.db2.gz DHCMOZBQOBDEHM-NEPJUHHUSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@@H]1CCCC[C@H]1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001576167650 949617150 /nfs/dbraw/zinc/61/71/50/949617150.db2.gz DHCMOZBQOBDEHM-NEPJUHHUSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000872166077 980060566 /nfs/dbraw/zinc/06/05/66/980060566.db2.gz BZZGORIXNAQIOJ-CYBMUJFWSA-N -1 1 332.278 3.067 20 5 EGBDMM CC[C@](NCc1ccc([N+](=O)[O-])cc1OC)(C(=O)[O-])c1ccccc1 ZINC001595301377 980437759 /nfs/dbraw/zinc/43/77/59/980437759.db2.gz YHHPRFNJCPMFLK-GOSISDBHSA-N -1 1 344.367 3.083 20 5 EGBDMM Cn1c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2nc1C(C)(C)C ZINC000342209121 163814840 /nfs/dbraw/zinc/81/48/40/163814840.db2.gz VZGHRVIAYSEPRC-UHFFFAOYSA-N -1 1 341.371 3.359 20 5 EGBDMM NC(=O)c1cc(-c2csc(-c3ccccc3[N+](=O)[O-])n2)ccc1[O-] ZINC000176919819 265215471 /nfs/dbraw/zinc/21/54/71/265215471.db2.gz MHNBILKQXSFERQ-UHFFFAOYSA-N -1 1 341.348 3.190 20 5 EGBDMM CSCc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000194626474 266132435 /nfs/dbraw/zinc/13/24/35/266132435.db2.gz JJMASXAFZNAAEK-UHFFFAOYSA-N -1 1 338.410 3.259 20 5 EGBDMM CN(Cc1nc(-c2ccc([O-])cc2F)no1)c1ccccc1[N+](=O)[O-] ZINC000445457905 309941576 /nfs/dbraw/zinc/94/15/76/309941576.db2.gz UXEDXWOCMXPSRM-UHFFFAOYSA-N -1 1 344.302 3.126 20 5 EGBDMM O=C(c1ccc([O-])cc1F)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452867122 310246596 /nfs/dbraw/zinc/24/65/96/310246596.db2.gz YDJPVGUMSMVCPY-ZDUSSCGKSA-N -1 1 344.342 3.459 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000536736655 314142827 /nfs/dbraw/zinc/14/28/27/314142827.db2.gz XBJLWWREDYAAJN-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM O=[N+]([O-])c1ccc(CCCCN=c2nc(C(F)(F)F)[n-]s2)cc1 ZINC000553410903 315262113 /nfs/dbraw/zinc/26/21/13/315262113.db2.gz WYMCETHAKBDVEI-UHFFFAOYSA-N -1 1 346.334 3.322 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000055547337 453993377 /nfs/dbraw/zinc/99/33/77/453993377.db2.gz AEIFNKDGYQLWOS-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000102748736 454518263 /nfs/dbraw/zinc/51/82/63/454518263.db2.gz LUBKHCYVQSPMAA-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM Cc1cc(Br)c([O-])c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000182910941 455189328 /nfs/dbraw/zinc/18/93/28/455189328.db2.gz MCHDTWXHWRKFRS-UHFFFAOYSA-N -1 1 341.117 3.217 20 5 EGBDMM CC[C@@H](c1ccccc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277727417 455648280 /nfs/dbraw/zinc/64/82/80/455648280.db2.gz NSBDIGKBVKTUHC-AWEZNQCLSA-N -1 1 329.356 3.309 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000192731602 455681255 /nfs/dbraw/zinc/68/12/55/455681255.db2.gz QCVFIVSMCAHSOL-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000342265624 457198809 /nfs/dbraw/zinc/19/88/09/457198809.db2.gz RLWJEKGDOMNPAQ-UHFFFAOYSA-N -1 1 328.353 3.029 20 5 EGBDMM CC(C)c1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000445212536 458025492 /nfs/dbraw/zinc/02/54/92/458025492.db2.gz JWDSTJAAZMYLNH-HNNXBMFYSA-N -1 1 341.367 3.236 20 5 EGBDMM CC(C)C(C)(C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000445741593 458083402 /nfs/dbraw/zinc/08/34/02/458083402.db2.gz MOAKYDXEJIVHHT-UHFFFAOYSA-N -1 1 334.825 3.209 20 5 EGBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC000595279489 459266536 /nfs/dbraw/zinc/26/65/36/459266536.db2.gz QVDIVQIGUSSYES-SKDRFNHKSA-N -1 1 346.305 3.156 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1CC(=O)[O-] ZINC000593290758 459830977 /nfs/dbraw/zinc/83/09/77/459830977.db2.gz OSMOUWOHBKOPQQ-AWEZNQCLSA-N -1 1 336.388 3.211 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000618391663 459996398 /nfs/dbraw/zinc/99/63/98/459996398.db2.gz TWNIXKXJTUXDIE-WHLNPGIBSA-N -1 1 339.351 3.013 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000611305094 460334147 /nfs/dbraw/zinc/33/41/47/460334147.db2.gz OGDUJOZQLPMFIV-UHFFFAOYSA-N -1 1 348.380 3.282 20 5 EGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000613449587 460953887 /nfs/dbraw/zinc/95/38/87/460953887.db2.gz DDEFZFVEYZULJG-UHFFFAOYSA-N -1 1 332.331 3.490 20 5 EGBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000734498892 575502049 /nfs/dbraw/zinc/50/20/49/575502049.db2.gz ZPSVERJGYNKEHX-VIFPVBQESA-N -1 1 334.825 3.209 20 5 EGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000047417726 1291573561 /nfs/dbraw/zinc/57/35/61/1291573561.db2.gz QIRHWAUWJOWEBM-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc([N+](=O)[O-])c1F ZINC000154231084 1294047598 /nfs/dbraw/zinc/04/75/98/1294047598.db2.gz LLJSOIQAYPHQCU-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1scnc1Br ZINC000754180443 1300101707 /nfs/dbraw/zinc/10/17/07/1300101707.db2.gz CWKZKQQZMFQODX-UHFFFAOYSA-N -1 1 346.137 3.205 20 5 EGBDMM CC(C)c1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768814517 1302985265 /nfs/dbraw/zinc/98/52/65/1302985265.db2.gz RYGHEWBCDRMZKD-UHFFFAOYSA-N -1 1 340.426 3.258 20 5 EGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cncc(C(=O)[O-])c1 ZINC000903887775 1317741421 /nfs/dbraw/zinc/74/14/21/1317741421.db2.gz DMHOLOTWHJGCLM-UHFFFAOYSA-N -1 1 329.356 3.099 20 5 EGBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1ncoc1[C@@H]1CCCO1 ZINC001324291259 1387583734 /nfs/dbraw/zinc/58/37/34/1387583734.db2.gz KRSITEVQLZIHIZ-JTQLQIEISA-N -1 1 337.719 3.340 20 5 EGBDMM COc1cccc(Cn2nccc2Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210395870 1372341266 /nfs/dbraw/zinc/34/12/66/1372341266.db2.gz GQFPZDJZGIXTIH-UHFFFAOYSA-N -1 1 340.339 3.297 20 5 EGBDMM COC(=O)c1sc2ncccc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393411 1372341496 /nfs/dbraw/zinc/34/14/96/1372341496.db2.gz SWMNUBZBPBMZHN-UHFFFAOYSA-N -1 1 345.336 3.440 20 5 EGBDMM CC(=O)c1cccc([O-])c1Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C ZINC001211298460 1372523709 /nfs/dbraw/zinc/52/37/09/1372523709.db2.gz LKFDOUCSDSEQGH-UHFFFAOYSA-N -1 1 331.284 3.463 20 5 EGBDMM Cc1ccc(C(F)(F)F)c(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212893036 1372791507 /nfs/dbraw/zinc/79/15/07/1372791507.db2.gz JKTXZRHCRBVWQR-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC)C[C@@H](C)CC ZINC001226311507 1375237782 /nfs/dbraw/zinc/23/77/82/1375237782.db2.gz XEVAYWQBGZKBAI-WDEREUQCSA-N -1 1 340.376 3.466 20 5 EGBDMM O=c1c2cc(OC[C@H]3CCC=CO3)c([O-])cc2oc2cccc(O)c12 ZINC001227306129 1375418124 /nfs/dbraw/zinc/41/81/24/1375418124.db2.gz GFROYLXDCOXKKM-LLVKDONJSA-N -1 1 340.331 3.429 20 5 EGBDMM CC[C@@H](COC)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306418 1375418455 /nfs/dbraw/zinc/41/84/55/1375418455.db2.gz JWPCERAPJKXSIF-JTQLQIEISA-N -1 1 330.336 3.161 20 5 EGBDMM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001228604081 1375614068 /nfs/dbraw/zinc/61/40/68/1375614068.db2.gz OVTNXYATLVTOHO-SSDOTTSWSA-N -1 1 337.282 3.386 20 5 EGBDMM CCOC(=O)[C@@H](CCc1ccccc1)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395975 1375826558 /nfs/dbraw/zinc/82/65/58/1375826558.db2.gz OHOTUQMUGHIJNG-MRXNPFEDSA-N -1 1 345.351 3.244 20 5 EGBDMM C[C@@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)C1CC1 ZINC001234120693 1376770165 /nfs/dbraw/zinc/77/01/65/1376770165.db2.gz VGKRMCOCQDDUCB-MRVPVSSYSA-N -1 1 328.320 3.240 20 5 EGBDMM O=C(Nc1cncc([O-])c1)c1ccc2oc3ccccc3c(=O)c2c1 ZINC001153415184 1380074088 /nfs/dbraw/zinc/07/40/88/1380074088.db2.gz HHTXHSYCHYJNRI-UHFFFAOYSA-N -1 1 332.315 3.299 20 5 EGBDMM COc1ccnc([N-][C@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001168477392 1383917674 /nfs/dbraw/zinc/91/76/74/1383917674.db2.gz JJWJRXSHNHONOX-LLVKDONJSA-N -1 1 328.250 3.109 20 5 EGBDMM C[C@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC000820550837 1428837427 /nfs/dbraw/zinc/83/74/27/1428837427.db2.gz ZTUYMBHXDRNATN-VIFPVBQESA-N -1 1 328.357 3.023 20 5 EGBDMM Cc1cccc([C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737391219 1424965562 /nfs/dbraw/zinc/96/55/62/1424965562.db2.gz YEJVKXIKXRBSLU-LBPRGKRZSA-N -1 1 338.371 3.299 20 5 EGBDMM CC(C)[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735750644 1427623253 /nfs/dbraw/zinc/62/32/53/1427623253.db2.gz RELJFJNJANZZOI-LBPRGKRZSA-N -1 1 330.392 3.037 20 5 EGBDMM CCS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455877 1427877362 /nfs/dbraw/zinc/87/73/62/1427877362.db2.gz MJYBVAQCAMLTAJ-ZYHUDNBSSA-N -1 1 348.432 3.251 20 5 EGBDMM Cc1ccc(CC[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822236380 1429948772 /nfs/dbraw/zinc/94/87/72/1429948772.db2.gz WTDJOOKHCKXANF-JTQLQIEISA-N -1 1 342.359 3.110 20 5 EGBDMM O=[N+]([O-])c1cc(NCc2cccc(-c3nnn[n-]3)c2F)ccc1Cl ZINC000826498072 1443172891 /nfs/dbraw/zinc/17/28/91/1443172891.db2.gz GSUKZDXPGXYIBO-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM C[C@H](Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1[N+](=O)[O-] ZINC000824656905 1443412646 /nfs/dbraw/zinc/41/26/46/1443412646.db2.gz NYATZHXRTLAWEQ-VIFPVBQESA-N -1 1 328.307 3.087 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823634215 1443428174 /nfs/dbraw/zinc/42/81/74/1443428174.db2.gz DMSNYVLOIBPTQP-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=C([O-])[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001605982838 973018588 /nfs/dbraw/zinc/01/85/88/973018588.db2.gz DTFLHRGTZHMKJC-HOCLYGCPSA-N -1 1 330.315 3.137 20 5 EGBDMM CC(C)c1ncc(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC001592020384 976712265 /nfs/dbraw/zinc/71/22/65/976712265.db2.gz XJPYNGXTSFNJLJ-GQCTYLIASA-N -1 1 330.344 3.151 20 5 EGBDMM CN(CCc1cccc([N+](=O)[O-])c1)Cc1cc(C(=O)[O-])ccc1F ZINC001598501141 992435881 /nfs/dbraw/zinc/43/58/81/992435881.db2.gz FHJHPCLKFAITDR-UHFFFAOYSA-N -1 1 332.331 3.107 20 5 EGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716724 996232419 /nfs/dbraw/zinc/23/24/19/996232419.db2.gz BVUGALRFOKFKBP-GFCCVEGCSA-N -1 1 326.352 3.412 20 5 EGBDMM COc1cc(C)ccc1CN[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599393413 997079990 /nfs/dbraw/zinc/07/99/90/997079990.db2.gz LKZHRRBYTWOCDC-SFHVURJKSA-N -1 1 344.367 3.001 20 5 EGBDMM O=C(Nc1ccc(Cl)cc1[O-])c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000339007530 284301579 /nfs/dbraw/zinc/30/15/79/284301579.db2.gz PXRVAYLAOLOLMB-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303062568 154036796 /nfs/dbraw/zinc/03/67/96/154036796.db2.gz UYDLZHYAOILVGK-GFCCVEGCSA-N -1 1 343.383 3.182 20 5 EGBDMM O=C(Nc1nccn1Cc1ccccc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000360144061 156932298 /nfs/dbraw/zinc/93/22/98/156932298.db2.gz LVDLFGHLPBRKKP-UHFFFAOYSA-N -1 1 345.746 3.073 20 5 EGBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000135390503 307701927 /nfs/dbraw/zinc/70/19/27/307701927.db2.gz PYQHHOGQZCUTGP-UHFFFAOYSA-N -1 1 348.380 3.297 20 5 EGBDMM O=C([O-])[C@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC000426761785 309515378 /nfs/dbraw/zinc/51/53/78/309515378.db2.gz DFDSNNRLEJWYOL-CQSZACIVSA-N -1 1 338.722 3.303 20 5 EGBDMM O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000517458683 312379914 /nfs/dbraw/zinc/37/99/14/312379914.db2.gz RIZQDMHONNMJTD-UHFFFAOYSA-N -1 1 338.323 3.149 20 5 EGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032585530 453878138 /nfs/dbraw/zinc/87/81/38/453878138.db2.gz KGXJPEKONMYILG-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1O ZINC000047383642 454366319 /nfs/dbraw/zinc/36/63/19/454366319.db2.gz IAUQBQIQPWRWOE-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc(C)c1F ZINC000152657172 454707167 /nfs/dbraw/zinc/70/71/67/454707167.db2.gz JPTNIUKOFIRWAZ-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1ccc([C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000277671210 455630385 /nfs/dbraw/zinc/63/03/85/455630385.db2.gz DQDLXPFXZFOKOV-GFCCVEGCSA-N -1 1 329.356 3.145 20 5 EGBDMM CC[C@H](CN(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194031421 455794063 /nfs/dbraw/zinc/79/40/63/455794063.db2.gz YTCBKHQNJSEVQM-CYBMUJFWSA-N -1 1 343.383 3.351 20 5 EGBDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261701368 455930779 /nfs/dbraw/zinc/93/07/79/455930779.db2.gz KDRVNUGZUVQRJW-DGFSRKRXSA-N -1 1 338.791 3.466 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271305906 456214034 /nfs/dbraw/zinc/21/40/34/456214034.db2.gz KBPWLJCFYFJVFH-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM Cc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc1[N+](=O)[O-] ZINC000339128773 456952900 /nfs/dbraw/zinc/95/29/00/456952900.db2.gz QLZDMRRTAVASQM-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM O=C(NC1CCC2(CCCCC2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000347204870 457287196 /nfs/dbraw/zinc/28/71/96/457287196.db2.gz MWZIZJDJQKNICY-UHFFFAOYSA-N -1 1 333.388 3.318 20 5 EGBDMM O=C(N[C@@H](c1ccccc1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361900915 457943190 /nfs/dbraw/zinc/94/31/90/457943190.db2.gz JCVIYJYDNSSWEY-INIZCTEOSA-N -1 1 341.367 3.357 20 5 EGBDMM O=[N+]([O-])c1ccccc1NCCc1noc(-c2cc(F)ccc2[O-])n1 ZINC000436930127 458407339 /nfs/dbraw/zinc/40/73/39/458407339.db2.gz FTYSXHCDIIAQMD-UHFFFAOYSA-N -1 1 344.302 3.144 20 5 EGBDMM Cc1cc(NC[C@H]2CCCC[N@H+]2C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577283219 459011275 /nfs/dbraw/zinc/01/12/75/459011275.db2.gz PEBNCHIHRLVBNY-CQSZACIVSA-N -1 1 333.388 3.030 20 5 EGBDMM C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519967067 459026019 /nfs/dbraw/zinc/02/60/19/459026019.db2.gz SDWYFRPUUOUKOE-MNOVXSKESA-N -1 1 346.836 3.353 20 5 EGBDMM Cc1nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[n-]c(=O)c1C ZINC000574348260 459808872 /nfs/dbraw/zinc/80/88/72/459808872.db2.gz VRLVGQRRNANLKK-UHFFFAOYSA-N -1 1 332.341 3.141 20 5 EGBDMM CCO[C@@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000593744392 459970249 /nfs/dbraw/zinc/97/02/49/459970249.db2.gz RUWNONNSHNZIOQ-HZPDHXFCSA-N -1 1 348.399 3.073 20 5 EGBDMM CC(C)C([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000610898565 460258096 /nfs/dbraw/zinc/25/80/96/460258096.db2.gz MAVMFKIZJHUUQQ-UHFFFAOYSA-N -1 1 334.825 3.207 20 5 EGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1O ZINC000612997804 460797579 /nfs/dbraw/zinc/79/75/79/460797579.db2.gz DPPKCISGFPEFSJ-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188482407 528644341 /nfs/dbraw/zinc/64/43/41/528644341.db2.gz FFCIKBHSJXVYER-HNNXBMFYSA-N -1 1 329.356 3.165 20 5 EGBDMM COc1ccc([N-]C(=O)c2occc2Br)c([N+](=O)[O-])c1 ZINC000176547429 547019746 /nfs/dbraw/zinc/01/97/46/547019746.db2.gz XQNDBXULDVSFEZ-UHFFFAOYSA-N -1 1 341.117 3.211 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000744484472 576829590 /nfs/dbraw/zinc/82/95/90/576829590.db2.gz HLWGNPWHAQTETD-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823635194 606645111 /nfs/dbraw/zinc/64/51/11/606645111.db2.gz SRLJABKBJWFPRY-OAHLLOKOSA-N -1 1 336.355 3.116 20 5 EGBDMM CCC1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CC1 ZINC000831866112 1292929203 /nfs/dbraw/zinc/92/92/03/1292929203.db2.gz JIUPTZSTIPRFFA-UHFFFAOYSA-N -1 1 339.200 3.123 20 5 EGBDMM COc1cc(/C=C\c2ncc(/C=C/C(=O)[O-])s2)cc([N+](=O)[O-])c1O ZINC000748441178 1299008032 /nfs/dbraw/zinc/00/80/32/1299008032.db2.gz JMXZTMQNFYZEOF-VOERYJCWSA-N -1 1 348.336 3.034 20 5 EGBDMM O=C(Nc1nc(Cl)ccc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000790050854 1306255196 /nfs/dbraw/zinc/25/51/96/1306255196.db2.gz LLYGKJKZNNAZFD-UHFFFAOYSA-N -1 1 343.673 3.079 20 5 EGBDMM O=C(OCc1ccc(Cl)nc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000800186076 1310695662 /nfs/dbraw/zinc/69/56/62/1310695662.db2.gz ROULUNFBNQRCGL-UHFFFAOYSA-N -1 1 343.122 3.359 20 5 EGBDMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026493 1318870674 /nfs/dbraw/zinc/87/06/74/1318870674.db2.gz PREZPGRPVFQXBR-MRVPVSSYSA-N -1 1 338.788 3.100 20 5 EGBDMM O=[N+]([O-])C[C@H](Oc1cc(Cl)c([O-])cc1Cl)c1cccnc1 ZINC001227642329 1375458393 /nfs/dbraw/zinc/45/83/93/1375458393.db2.gz XOYCNAQNVXTWEI-ZDUSSCGKSA-N -1 1 329.139 3.491 20 5 EGBDMM COC(=O)c1sc2nccnc2c1[N-]c1ccccc1[N+](=O)[O-] ZINC001206144435 1370971615 /nfs/dbraw/zinc/97/16/15/1370971615.db2.gz LASOXFSNNKPPHS-UHFFFAOYSA-N -1 1 330.325 3.130 20 5 EGBDMM COC(=O)c1nc2ccccc2cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394765 1372341465 /nfs/dbraw/zinc/34/14/65/1372341465.db2.gz GAKBNVCAKBDUQC-UHFFFAOYSA-N -1 1 339.307 3.379 20 5 EGBDMM Cc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c(C(F)(F)F)c1 ZINC001212892948 1372791476 /nfs/dbraw/zinc/79/14/76/1372791476.db2.gz FFHCTHZRWLDYOH-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1[C@@H](C)CCC[C@@H]1C ZINC001226308986 1375236687 /nfs/dbraw/zinc/23/66/87/1375236687.db2.gz AYXMBHRFPWWCGF-UWVGGRQHSA-N -1 1 338.360 3.076 20 5 EGBDMM C[C@H](O)CCCC(=O)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513682 1375850026 /nfs/dbraw/zinc/85/00/26/1375850026.db2.gz ALCNWTIIDVTVSR-NSHDSACASA-N -1 1 342.347 3.108 20 5 EGBDMM C[C@@H]1COCC[C@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514481 1375850105 /nfs/dbraw/zinc/85/01/05/1375850105.db2.gz IRFGKYORKXPMAW-BDJLRTHQSA-N -1 1 326.348 3.456 20 5 EGBDMM Cc1cc([O-])c(O[C@H]2CCN3Cc4ccccc4N=C23)cc1[N+](=O)[O-] ZINC001229752632 1375885987 /nfs/dbraw/zinc/88/59/87/1375885987.db2.gz CRDYMAZXKWVRRI-INIZCTEOSA-N -1 1 339.351 3.306 20 5 EGBDMM COc1ccc(OC[C@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])cc1 ZINC001229753460 1375887488 /nfs/dbraw/zinc/88/74/88/1375887488.db2.gz JTDZGDZUKXVCFF-LBPRGKRZSA-N -1 1 333.340 3.464 20 5 EGBDMM C[C@@H]1C[C@H](Oc2cc3c(cc2O)c(=O)oc2cc([O-])ccc23)CCO1 ZINC001229806938 1375896497 /nfs/dbraw/zinc/89/64/97/1375896497.db2.gz XMWIHQZNLXUFDT-ZYHUDNBSSA-N -1 1 342.347 3.304 20 5 EGBDMM CCCC(=O)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])c1cccnc1 ZINC001233650993 1376691402 /nfs/dbraw/zinc/69/14/02/1376691402.db2.gz VRQOMFZDAUDKDS-QGZVFWFLSA-N -1 1 330.340 3.167 20 5 EGBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@H]3C=CCC3)c12 ZINC001234123608 1376770714 /nfs/dbraw/zinc/77/07/14/1376770714.db2.gz DRMITJBYCIZEIP-JTQLQIEISA-N -1 1 326.304 3.160 20 5 EGBDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1cccc([N+](=O)[O-])c1 ZINC000825352628 1428835097 /nfs/dbraw/zinc/83/50/97/1428835097.db2.gz OLQUKCFCMLLILD-UHFFFAOYSA-N -1 1 349.354 3.202 20 5 EGBDMM CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736354133 1428940383 /nfs/dbraw/zinc/94/03/83/1428940383.db2.gz ZGEZDIJNZGYVNY-CYBMUJFWSA-N -1 1 338.371 3.208 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CCc2ccc(F)cc21 ZINC000738357160 1429053963 /nfs/dbraw/zinc/05/39/63/1429053963.db2.gz DOHMLLTVVFKAGJ-ZDUSSCGKSA-N -1 1 340.318 3.013 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000823639553 1424333210 /nfs/dbraw/zinc/33/32/10/1424333210.db2.gz DGBHGIPCPNLYDE-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM O=[N+]([O-])c1ccccc1CCNc1c(Cl)cccc1-c1nnn[n-]1 ZINC000823647878 1427175290 /nfs/dbraw/zinc/17/52/90/1427175290.db2.gz OYNXEVFGNFUKLC-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM CCc1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(OC)c1 ZINC000825717094 1427750868 /nfs/dbraw/zinc/75/08/68/1427750868.db2.gz FVKZVWWAOONOPX-UHFFFAOYSA-N -1 1 341.327 3.138 20 5 EGBDMM C[C@H](CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736002050 1428118617 /nfs/dbraw/zinc/11/86/17/1428118617.db2.gz OPLOCYIVQRFHGB-GFCCVEGCSA-N -1 1 338.371 3.015 20 5 EGBDMM Cc1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826288577 1430004561 /nfs/dbraw/zinc/00/45/61/1430004561.db2.gz NUCSJTDZBZWQDI-UHFFFAOYSA-N -1 1 344.762 3.349 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CSc1ccccc1-c1nnn[n-]1 ZINC000737116907 1441441216 /nfs/dbraw/zinc/44/12/16/1441441216.db2.gz UBDUCHIREQXFSO-UHFFFAOYSA-N -1 1 343.368 3.076 20 5 EGBDMM O=[N+]([O-])c1cc(N[C@@H]2CCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000823635178 1443137807 /nfs/dbraw/zinc/13/78/07/1443137807.db2.gz RNZAVXHDFRYXKR-OAHLLOKOSA-N -1 1 336.355 3.264 20 5 EGBDMM O=[N+]([O-])c1ccc(NC2CC(c3ccccc3)C2)c(-c2nnn[n-]2)c1 ZINC000738371614 1443454497 /nfs/dbraw/zinc/45/44/97/1443454497.db2.gz UPAVWXCNBHYARB-UHFFFAOYSA-N -1 1 336.355 3.133 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@H]1CSc2ccccc21 ZINC000738358406 1443603410 /nfs/dbraw/zinc/60/34/10/1443603410.db2.gz LXOOQIRKULZYAU-LBPRGKRZSA-N -1 1 340.368 3.034 20 5 EGBDMM C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589334910 953985743 /nfs/dbraw/zinc/98/57/43/953985743.db2.gz VAXUNPYGKSAVJF-RNCFNFMXSA-N -1 1 346.305 3.299 20 5 EGBDMM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC001605903417 972745394 /nfs/dbraw/zinc/74/53/94/972745394.db2.gz IUFFVGDLRLPMDY-AWEZNQCLSA-N -1 1 338.722 3.303 20 5 EGBDMM C[C@@H]1C[C@H](c2cccnc2)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594272263 999052879 /nfs/dbraw/zinc/05/28/79/999052879.db2.gz ONCUYJWXVWQAJD-SJKOYZFVSA-N -1 1 341.367 3.271 20 5 EGBDMM O=C(CCOc1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000111667002 143950481 /nfs/dbraw/zinc/95/04/81/143950481.db2.gz UHDOIFAGOWUADA-UHFFFAOYSA-N -1 1 336.731 3.361 20 5 EGBDMM C[C@@H]1C[C@@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000337574165 154423312 /nfs/dbraw/zinc/42/33/12/154423312.db2.gz GGOSOGDSIQIDCH-ABKXIKBNSA-N -1 1 347.758 3.014 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000093930680 162033916 /nfs/dbraw/zinc/03/39/16/162033916.db2.gz TZPZCIVDXSTSNG-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC000354190922 165982051 /nfs/dbraw/zinc/98/20/51/165982051.db2.gz LVZKZYBHYRCUAP-UHFFFAOYSA-N -1 1 349.393 3.314 20 5 EGBDMM Cc1c([N-]S(=O)(=O)Cc2c(F)cccc2F)cccc1[N+](=O)[O-] ZINC000194638710 266133535 /nfs/dbraw/zinc/13/35/35/266133535.db2.gz JPYJARBOWLQKHT-UHFFFAOYSA-N -1 1 342.323 3.123 20 5 EGBDMM O=C(Nc1cc(Cl)ccc1[O-])c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000107348807 275171860 /nfs/dbraw/zinc/17/18/60/275171860.db2.gz ZHCJUIVFIODQHI-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000279120305 275305515 /nfs/dbraw/zinc/30/55/15/275305515.db2.gz XDWVUZQUCFIDGM-WFASDCNBSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000091054689 307462165 /nfs/dbraw/zinc/46/21/65/307462165.db2.gz CZQHSWIOYXNZNW-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519967068 312489368 /nfs/dbraw/zinc/48/93/68/312489368.db2.gz SDWYFRPUUOUKOE-QWRGUYRKSA-N -1 1 346.836 3.353 20 5 EGBDMM CC(C)[C@H]1N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000520748211 312518434 /nfs/dbraw/zinc/51/84/34/312518434.db2.gz YNKXJHNHZDKPSI-CQSZACIVSA-N -1 1 333.388 3.126 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CC12CCCCC2 ZINC000538847465 314279281 /nfs/dbraw/zinc/27/92/81/314279281.db2.gz NSOYFPBMPPXYSC-GFCCVEGCSA-N -1 1 344.820 3.249 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CC12CCCCC2 ZINC000538847466 314279344 /nfs/dbraw/zinc/27/93/44/314279344.db2.gz NSOYFPBMPPXYSC-LBPRGKRZSA-N -1 1 344.820 3.249 20 5 EGBDMM CCc1nc(SCc2ccc(OC)c([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000569379766 316906745 /nfs/dbraw/zinc/90/67/45/316906745.db2.gz QAMQSVTZNDKXTR-UHFFFAOYSA-N -1 1 335.385 3.262 20 5 EGBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1F ZINC000184214704 455362397 /nfs/dbraw/zinc/36/23/97/455362397.db2.gz OUFPZCQXQPDBMM-UHFFFAOYSA-N -1 1 338.360 3.293 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1Cl ZINC000075082092 453858327 /nfs/dbraw/zinc/85/83/27/453858327.db2.gz KXIIRYVZPLJHFE-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CCn1c(C2CCN(c3ccccc3[N+](=O)[O-])CC2)n[n-]c1=S ZINC000069618440 454125385 /nfs/dbraw/zinc/12/53/85/454125385.db2.gz SLSRQLSHCIGAKB-UHFFFAOYSA-N -1 1 333.417 3.253 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC000180289616 455155462 /nfs/dbraw/zinc/15/54/62/455155462.db2.gz AMCCWZCVUOPWNH-UHFFFAOYSA-N -1 1 348.167 3.097 20 5 EGBDMM CC(C)(C)OC(=O)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000266671237 455434657 /nfs/dbraw/zinc/43/46/57/455434657.db2.gz VSDDYTPYJARODT-UHFFFAOYSA-N -1 1 345.355 3.059 20 5 EGBDMM CC[C@H](CN(CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000186435428 455768035 /nfs/dbraw/zinc/76/80/35/455768035.db2.gz HIRSJLKKUHVDOX-CYBMUJFWSA-N -1 1 343.383 3.351 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000216132075 456028477 /nfs/dbraw/zinc/02/84/77/456028477.db2.gz ITBKABHASGVQMN-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM Cc1nc(C)c(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)s1 ZINC000342917801 456312533 /nfs/dbraw/zinc/31/25/33/456312533.db2.gz OKDQWKZEFMLRFD-UHFFFAOYSA-N -1 1 349.397 3.372 20 5 EGBDMM O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338395875 456794185 /nfs/dbraw/zinc/79/41/85/456794185.db2.gz NZWJGMVJDMZVCN-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Br)no2)[n-]1 ZINC000445387614 458045694 /nfs/dbraw/zinc/04/56/94/458045694.db2.gz ZVYCNUXCLFADQH-UHFFFAOYSA-N -1 1 335.117 3.402 20 5 EGBDMM O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445454866 458050700 /nfs/dbraw/zinc/05/07/00/458050700.db2.gz AYABQUBQJBTXFF-UHFFFAOYSA-N -1 1 331.259 3.069 20 5 EGBDMM O=c1cc(C(F)F)nc(SCCOc2ccccc2[N+](=O)[O-])[n-]1 ZINC000576862586 458934660 /nfs/dbraw/zinc/93/46/60/458934660.db2.gz LFEBSWQOBPNSNJ-UHFFFAOYSA-N -1 1 343.311 3.199 20 5 EGBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000568523148 459303837 /nfs/dbraw/zinc/30/38/37/459303837.db2.gz UQSICDOUHXOLRX-NOZJJQNGSA-N -1 1 346.305 3.299 20 5 EGBDMM Cc1cnc(SCc2cc([N+](=O)[O-])ccc2OC(C)C)[n-]c1=O ZINC000583704255 459584707 /nfs/dbraw/zinc/58/47/07/459584707.db2.gz AJRWTLKYLUALEQ-UHFFFAOYSA-N -1 1 335.385 3.478 20 5 EGBDMM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728298582 574736676 /nfs/dbraw/zinc/73/66/76/574736676.db2.gz WVTLNQNCZMOTJR-DGCLKSJQSA-N -1 1 344.408 3.371 20 5 EGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCCC1CCCC1 ZINC000742343665 576770812 /nfs/dbraw/zinc/77/08/12/576770812.db2.gz LFRKGOZMYFZMBY-UHFFFAOYSA-N -1 1 344.408 3.373 20 5 EGBDMM Cc1cc(NCCN2Cc3ccccc3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897546 602316310 /nfs/dbraw/zinc/31/63/10/602316310.db2.gz SDEZSAFEOUBZTK-UHFFFAOYSA-N -1 1 341.367 3.029 20 5 EGBDMM Cc1cc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)s1 ZINC000119486459 1293272949 /nfs/dbraw/zinc/27/29/49/1293272949.db2.gz YUVKAWYCESKNKG-MRVPVSSYSA-N -1 1 346.455 3.374 20 5 EGBDMM CCOc1cc(COC(=O)c2ccc([O-])cc2F)ccc1[N+](=O)[O-] ZINC000755548910 1300357041 /nfs/dbraw/zinc/35/70/41/1300357041.db2.gz JFVHIYKYHYQFKF-UHFFFAOYSA-N -1 1 335.287 3.195 20 5 EGBDMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000757362723 1300667750 /nfs/dbraw/zinc/66/77/50/1300667750.db2.gz BXTDIPPIULWJJI-MWLCHTKSSA-N -1 1 332.809 3.105 20 5 EGBDMM CCC(CC)n1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780067924 1304635567 /nfs/dbraw/zinc/63/55/67/1304635567.db2.gz IKYUPBYFSKMSEA-UHFFFAOYSA-N -1 1 333.344 3.215 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1nc(Cl)ccc1F ZINC000800150900 1310684393 /nfs/dbraw/zinc/68/43/93/1310684393.db2.gz GABFBDUEIITWHI-UHFFFAOYSA-N -1 1 327.674 3.482 20 5 EGBDMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814998674 1318864376 /nfs/dbraw/zinc/86/43/76/1318864376.db2.gz SVXKUDZDPPRSSE-JGVFFNPUSA-N -1 1 338.788 3.100 20 5 EGBDMM CCOC(=O)c1sc(SC)nc1[N-]c1ccc([N+](=O)[O-])nc1 ZINC001203568494 1370172357 /nfs/dbraw/zinc/17/23/57/1370172357.db2.gz BCJRFBDWBFRXLB-UHFFFAOYSA-N -1 1 340.386 3.089 20 5 EGBDMM COc1ccc(-c2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)n(C)n2)cc1 ZINC001210392377 1372340538 /nfs/dbraw/zinc/34/05/38/1372340538.db2.gz CGAQOVIZZFWRMW-UHFFFAOYSA-N -1 1 340.339 3.453 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccc(F)nc2Br)ccc1[O-] ZINC001210394166 1372340966 /nfs/dbraw/zinc/34/09/66/1372340966.db2.gz PYWCNCVULILFQW-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM COc1ccc(Br)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394110 1372341706 /nfs/dbraw/zinc/34/17/06/1372341706.db2.gz OGTZAZSDKLTOMP-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM O=[N+]([O-])c1c(-c2nc(-c3ccc(F)cc3)no2)n[n-]c1C(F)(F)F ZINC001212973378 1372809182 /nfs/dbraw/zinc/80/91/82/1372809182.db2.gz YXSWUMANWITNNU-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1ccccc1C ZINC001226311531 1375237443 /nfs/dbraw/zinc/23/74/43/1375237443.db2.gz XQCLJZKNAXKCPA-LLVKDONJSA-N -1 1 346.339 3.321 20 5 EGBDMM Cc1ccc(C(=O)n2c3ccccc3cc3c(=O)c(N)ccc2-3)c([O-])c1 ZINC001148500041 1379191771 /nfs/dbraw/zinc/19/17/71/1379191771.db2.gz IGPFZLJXFCCKIF-UHFFFAOYSA-N -1 1 344.370 3.391 20 5 EGBDMM Cc1cc(-c2nnn[n-]2)ccc1Oc1c(F)cc([N+](=O)[O-])cc1F ZINC000826255067 1424532363 /nfs/dbraw/zinc/53/23/63/1424532363.db2.gz KBZQXMRVYFMFAT-UHFFFAOYSA-N -1 1 333.254 3.154 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000823640123 1441682651 /nfs/dbraw/zinc/68/26/51/1441682651.db2.gz UEXOSOKZIUBQLS-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000736690371 1443965027 /nfs/dbraw/zinc/96/50/27/1443965027.db2.gz JRIOIYCLERRFTB-UHFFFAOYSA-N -1 1 343.318 3.055 20 5 EGBDMM CC(=O)c1ccc(Sc2cccc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000819835288 1446189438 /nfs/dbraw/zinc/18/94/38/1446189438.db2.gz VCEJABZLDBLPMD-UHFFFAOYSA-N -1 1 341.352 3.129 20 5 EGBDMM C[C@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824406562 1446858346 /nfs/dbraw/zinc/85/83/46/1446858346.db2.gz NCRUIRBSNLTXGY-GFCCVEGCSA-N -1 1 338.371 3.208 20 5 EGBDMM C[C@@H](C(=O)[O-])N(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001602820391 971624774 /nfs/dbraw/zinc/62/47/74/971624774.db2.gz VBFHNKZIHUQUPA-ZETCQYMHSA-N -1 1 333.171 3.339 20 5 EGBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001589468610 986933303 /nfs/dbraw/zinc/93/33/03/986933303.db2.gz KNNRUYJJKQMREZ-MEDUHNTESA-N -1 1 332.331 3.286 20 5 EGBDMM C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593292391 994676343 /nfs/dbraw/zinc/67/63/43/994676343.db2.gz KOGOPCXUMTVJDC-LLVKDONJSA-N -1 1 348.330 3.048 20 5 EGBDMM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001599500742 997113427 /nfs/dbraw/zinc/11/34/27/997113427.db2.gz JYVPELXKWMXAMN-NSHDSACASA-N -1 1 330.340 3.152 20 5 EGBDMM CC(C)c1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193343553 240119729 /nfs/dbraw/zinc/11/97/29/240119729.db2.gz YIAJAYOAMGOUNP-UHFFFAOYSA-N -1 1 329.356 3.091 20 5 EGBDMM Cc1ccc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187168855 292264542 /nfs/dbraw/zinc/26/45/42/292264542.db2.gz OHHTUWZRBZNSPO-OAHLLOKOSA-N -1 1 341.367 3.371 20 5 EGBDMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303019806 154034810 /nfs/dbraw/zinc/03/48/10/154034810.db2.gz ZIUXUXPFKHJZFO-CYBMUJFWSA-N -1 1 345.355 3.040 20 5 EGBDMM COc1cc2nc(C)sc2cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000338924729 163389703 /nfs/dbraw/zinc/38/97/03/163389703.db2.gz JTGMSJYRXAVFNE-UHFFFAOYSA-N -1 1 332.341 3.102 20 5 EGBDMM COc1cccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000194111103 266092922 /nfs/dbraw/zinc/09/29/22/266092922.db2.gz GYOCAESNSBVVMZ-UHFFFAOYSA-N -1 1 336.373 3.005 20 5 EGBDMM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccc(Cl)c2O1 ZINC000273206895 266996225 /nfs/dbraw/zinc/99/62/25/266996225.db2.gz RMIADJNTZZCGDG-VIFPVBQESA-N -1 1 335.747 3.394 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(Cl)c1 ZINC000047521619 275142146 /nfs/dbraw/zinc/14/21/46/275142146.db2.gz DEKSJEDFSALDRG-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1O ZINC000055616256 307340925 /nfs/dbraw/zinc/34/09/25/307340925.db2.gz JZLXUFPEFCNJAD-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000078234636 307416891 /nfs/dbraw/zinc/41/68/91/307416891.db2.gz XDLFAYBGCMEQOB-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414386474 309077018 /nfs/dbraw/zinc/07/70/18/309077018.db2.gz ULCJDFRULQMCSK-DOTOQJQBSA-N -1 1 346.408 3.455 20 5 EGBDMM CCc1ccc(-c2nc(-c3ccc(N)c([N+](=O)[O-])c3)no2)c([O-])c1 ZINC000436842814 309777431 /nfs/dbraw/zinc/77/74/31/309777431.db2.gz XISXWCROWQJOLV-UHFFFAOYSA-N -1 1 326.312 3.162 20 5 EGBDMM O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452393222 310225480 /nfs/dbraw/zinc/22/54/80/310225480.db2.gz BATRZNYEBSYILO-DZGCQCFKSA-N -1 1 341.367 3.009 20 5 EGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C1(C(F)F)CCCCC1 ZINC000508089697 312088144 /nfs/dbraw/zinc/08/81/44/312088144.db2.gz QUTMLLFGDZONGT-UHFFFAOYSA-N -1 1 348.371 3.150 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@]2(C1)CCc1ccccc1O2 ZINC000549718051 315102019 /nfs/dbraw/zinc/10/20/19/315102019.db2.gz STESWVDKNOITHY-IBGZPJMESA-N -1 1 340.379 3.270 20 5 EGBDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000089882139 454224930 /nfs/dbraw/zinc/22/49/30/454224930.db2.gz ZLTKQWLZTLJUJI-UHFFFAOYSA-N -1 1 348.265 3.367 20 5 EGBDMM CC[C@@H](CN(CC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000186435411 455767633 /nfs/dbraw/zinc/76/76/33/455767633.db2.gz HIRSJLKKUHVDOX-ZDUSSCGKSA-N -1 1 343.383 3.351 20 5 EGBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000339215337 456995583 /nfs/dbraw/zinc/99/55/83/456995583.db2.gz UYZKPVHMBVWESD-QFYYESIMSA-N -1 1 334.397 3.154 20 5 EGBDMM COc1ccc2c(c1)CCC[C@H]2c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357604847 457618962 /nfs/dbraw/zinc/61/89/62/457618962.db2.gz UFIXOGZDNFDRBZ-CYBMUJFWSA-N -1 1 340.339 3.450 20 5 EGBDMM CCOc1cc(CSc2nc(CC)cc(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000436211399 458270211 /nfs/dbraw/zinc/27/02/11/458270211.db2.gz PXXXBLXXPMBQNE-UHFFFAOYSA-N -1 1 335.385 3.344 20 5 EGBDMM O=C([O-])c1coc(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000583946000 459623814 /nfs/dbraw/zinc/62/38/14/459623814.db2.gz MJNNKNKOPKYTOK-ZDUSSCGKSA-N -1 1 330.340 3.266 20 5 EGBDMM CC(C)(Cc1ccccc1Cl)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593899150 460014596 /nfs/dbraw/zinc/01/45/96/460014596.db2.gz TWCFNZFGHPSANT-UHFFFAOYSA-N -1 1 349.774 3.100 20 5 EGBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480648 460260570 /nfs/dbraw/zinc/26/05/70/460260570.db2.gz IEVQIPLETIFJMI-AWEZNQCLSA-N -1 1 349.412 3.036 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N(C)C ZINC000734739493 575547477 /nfs/dbraw/zinc/54/74/77/575547477.db2.gz FKZNHXFVUBGNKE-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826498828 607451008 /nfs/dbraw/zinc/45/10/08/607451008.db2.gz LIYGVURLVJPGPR-HNNXBMFYSA-N -1 1 336.355 3.116 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826498828 607451010 /nfs/dbraw/zinc/45/10/10/607451010.db2.gz LIYGVURLVJPGPR-HNNXBMFYSA-N -1 1 336.355 3.116 20 5 EGBDMM CCS[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825669405 607842862 /nfs/dbraw/zinc/84/28/62/607842862.db2.gz XJOAMXHYZVGBSQ-JSGCOSHPSA-N -1 1 348.432 3.251 20 5 EGBDMM CCS[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825669405 607842863 /nfs/dbraw/zinc/84/28/63/607842863.db2.gz XJOAMXHYZVGBSQ-JSGCOSHPSA-N -1 1 348.432 3.251 20 5 EGBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000131005468 1293676316 /nfs/dbraw/zinc/67/63/16/1293676316.db2.gz WORWPWQNQLJUQC-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000179624449 1294807685 /nfs/dbraw/zinc/80/76/85/1294807685.db2.gz XLGQZEFVDGTEMS-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C([N-]c1nc(C2CC2)no1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000747590140 1298806744 /nfs/dbraw/zinc/80/67/44/1298806744.db2.gz AEZUPMCWKWPLMD-UHFFFAOYSA-N -1 1 342.233 3.126 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1N1CCSCC1 ZINC000749862299 1299288341 /nfs/dbraw/zinc/28/83/41/1299288341.db2.gz GZCNQNWTJQELEV-UHFFFAOYSA-N -1 1 346.412 3.037 20 5 EGBDMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000750170990 1299350924 /nfs/dbraw/zinc/35/09/24/1299350924.db2.gz ARFXUHAPFKWTNP-GFCCVEGCSA-N -1 1 332.809 3.105 20 5 EGBDMM CC(C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCCC1 ZINC000753839465 1300028130 /nfs/dbraw/zinc/02/81/30/1300028130.db2.gz APIIPPUJDJKCQE-UHFFFAOYSA-N -1 1 344.408 3.229 20 5 EGBDMM Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769046515 1303035934 /nfs/dbraw/zinc/03/59/34/1303035934.db2.gz GKYWGQOFRGFJFB-GFCCVEGCSA-N -1 1 343.335 3.345 20 5 EGBDMM CCOC(=O)c1cc(Nc2ccc([O-])c(F)c2F)cc([N+](=O)[O-])c1 ZINC001211371932 1372543246 /nfs/dbraw/zinc/54/32/46/1372543246.db2.gz UXRUICPLTOZUJE-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001212893301 1372791208 /nfs/dbraw/zinc/79/12/08/1372791208.db2.gz WNTTVQQDRIIROL-UHFFFAOYSA-N -1 1 326.099 3.342 20 5 EGBDMM O=c1oc2cc([O-])ccc2cc1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215289716 1373195379 /nfs/dbraw/zinc/19/53/79/1373195379.db2.gz PLKQRUWEBBNAFK-UHFFFAOYSA-N -1 1 334.234 3.429 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccncc1 ZINC001228858707 1375696295 /nfs/dbraw/zinc/69/62/95/1375696295.db2.gz GFAFYVBMJMIYSR-ZETCQYMHSA-N -1 1 329.234 3.249 20 5 EGBDMM CC1(C)CC(=O)CC[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860983 1375697465 /nfs/dbraw/zinc/69/74/65/1375697465.db2.gz ZEKWTOURBYFBGY-JTQLQIEISA-N -1 1 348.277 3.241 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cccnc1F ZINC001228860225 1375697764 /nfs/dbraw/zinc/69/77/64/1375697764.db2.gz RHFUVQAIPXUBJF-LURJTMIESA-N -1 1 347.224 3.388 20 5 EGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)ccnc2F)c1 ZINC001327651019 1388573505 /nfs/dbraw/zinc/57/35/05/1388573505.db2.gz ZQLXBHDRVTWFMF-UHFFFAOYSA-N -1 1 325.296 3.242 20 5 EGBDMM O=c1nc2nc[nH]c2c(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[n-]1 ZINC001170228569 1384271324 /nfs/dbraw/zinc/27/13/24/1384271324.db2.gz HLVQSYVVMFMVKL-UHFFFAOYSA-N -1 1 348.322 3.377 20 5 EGBDMM Cc1ccc(C[C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])s1 ZINC000737334851 1425705244 /nfs/dbraw/zinc/70/52/44/1425705244.db2.gz NCWQEYXQZSXMMH-VIFPVBQESA-N -1 1 344.400 3.188 20 5 EGBDMM O=[N+]([O-])c1ccccc1CCNc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823647946 1426129869 /nfs/dbraw/zinc/12/98/69/1426129869.db2.gz QPPALQDRMGTNKP-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cn2)ccc1Cl ZINC000823634501 1430016477 /nfs/dbraw/zinc/01/64/77/1430016477.db2.gz IGQWKJPOGKTFLT-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM Cc1ccccc1[C@@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737424671 1430201954 /nfs/dbraw/zinc/20/19/54/1430201954.db2.gz WQIHLUIYXMQCFC-GFCCVEGCSA-N -1 1 338.371 3.281 20 5 EGBDMM COCc1ccc(Sc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821696160 1441651098 /nfs/dbraw/zinc/65/10/98/1441651098.db2.gz ZCOHOTKLQZUSOL-UHFFFAOYSA-N -1 1 343.368 3.073 20 5 EGBDMM C[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000824649497 1442231448 /nfs/dbraw/zinc/23/14/48/1442231448.db2.gz MQZKAAWRLVGVQA-QMMMGPOBSA-N -1 1 346.297 3.226 20 5 EGBDMM Cc1cc(C)cc(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822196473 1443284660 /nfs/dbraw/zinc/28/46/60/1443284660.db2.gz KTCRTLVXBJHFDF-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC(C2CCCC2)CC1 ZINC000823630006 1443457307 /nfs/dbraw/zinc/45/73/07/1443457307.db2.gz PGWQWIVYIGVOSI-UHFFFAOYSA-N -1 1 342.403 3.182 20 5 EGBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@@H]1C(=O)[O-] ZINC001603461566 973302326 /nfs/dbraw/zinc/30/23/26/973302326.db2.gz QVDIVQIGUSSYES-CABZTGNLSA-N -1 1 346.305 3.156 20 5 EGBDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1ccc(C(=O)[O-])cc1F ZINC001598501747 992444328 /nfs/dbraw/zinc/44/43/28/992444328.db2.gz DAOBPFRFGYHLHK-UHFFFAOYSA-N -1 1 332.331 3.107 20 5 EGBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594169016 998651878 /nfs/dbraw/zinc/65/18/78/998651878.db2.gz YZEFQZRLDJWUDK-IINYFYTJSA-N -1 1 347.396 3.013 20 5 EGBDMM CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193634406 240244448 /nfs/dbraw/zinc/24/44/48/240244448.db2.gz YGGWUFVVVCHKHS-OAHLLOKOSA-N -1 1 343.383 3.097 20 5 EGBDMM CC(C)(C)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(C(C)(C)C)n1 ZINC000263904811 245837433 /nfs/dbraw/zinc/83/74/33/245837433.db2.gz RFJKRYRWEFDORJ-UHFFFAOYSA-N -1 1 333.392 3.424 20 5 EGBDMM CCCCc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2[nH]1 ZINC000344466254 141158838 /nfs/dbraw/zinc/15/88/38/141158838.db2.gz PUOXPGRCFUDXPU-UHFFFAOYSA-N -1 1 327.344 3.394 20 5 EGBDMM CN(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(F)(F)F)c1 ZINC000351820777 144311627 /nfs/dbraw/zinc/31/16/27/144311627.db2.gz PTYCINLXYAXECG-UHFFFAOYSA-N -1 1 342.277 3.260 20 5 EGBDMM Cc1c(CSc2nc(-c3ccccn3)n[nH]2)cccc1[N+](=O)[O-] ZINC000117112739 152085362 /nfs/dbraw/zinc/08/53/62/152085362.db2.gz RDGSKROLMUKMBU-UHFFFAOYSA-N -1 1 327.369 3.376 20 5 EGBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1ncsc1C(F)(F)F ZINC000338465254 163233868 /nfs/dbraw/zinc/23/38/68/163233868.db2.gz QKTRAQQRHQWEKB-UHFFFAOYSA-N -1 1 335.238 3.462 20 5 EGBDMM CC(C)c1cccnc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000346407796 164382271 /nfs/dbraw/zinc/38/22/71/164382271.db2.gz JCGUBBLQSKOJIA-UHFFFAOYSA-N -1 1 349.412 3.098 20 5 EGBDMM Cc1cc(Cl)cc(NC(=O)c2n[nH]c(C(C)C)c2[N+](=O)[O-])c1[O-] ZINC000269566857 266317942 /nfs/dbraw/zinc/31/79/42/266317942.db2.gz HCCQFPPKDRJEEU-UHFFFAOYSA-N -1 1 338.751 3.361 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC2(CCCCC2)CC1 ZINC000188796653 280227586 /nfs/dbraw/zinc/22/75/86/280227586.db2.gz HBKHLJZZSBMEOJ-UHFFFAOYSA-N -1 1 333.388 3.272 20 5 EGBDMM C[C@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC=CCC1 ZINC000416560751 309173574 /nfs/dbraw/zinc/17/35/74/309173574.db2.gz RHCZSLMJFUIKAJ-ZDUSSCGKSA-N -1 1 330.793 3.025 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CCC1CCCC1 ZINC000444985819 309934253 /nfs/dbraw/zinc/93/42/53/309934253.db2.gz LVGQMAOZSIMDCN-CQSZACIVSA-N -1 1 333.388 3.270 20 5 EGBDMM CSc1cccc(C(=O)[N-]c2nnc(C3CC3)s2)c1[N+](=O)[O-] ZINC000571496278 317206941 /nfs/dbraw/zinc/20/69/41/317206941.db2.gz WOQNWAXRBNOKAR-UHFFFAOYSA-N -1 1 336.398 3.298 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(F)c1 ZINC000047521700 454381171 /nfs/dbraw/zinc/38/11/71/454381171.db2.gz DBGQJKSQOGXYOH-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000102748697 454518441 /nfs/dbraw/zinc/51/84/41/454518441.db2.gz BXRKXAWLLXTSBL-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC000191565792 455497913 /nfs/dbraw/zinc/49/79/13/455497913.db2.gz WPVUWGPCOJGKFW-UHFFFAOYSA-N -1 1 338.360 3.293 20 5 EGBDMM Cc1cccc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000185724738 455605870 /nfs/dbraw/zinc/60/58/70/455605870.db2.gz IKZFSUITRXJJJA-HNNXBMFYSA-N -1 1 341.367 3.290 20 5 EGBDMM CC[C@H](c1ccccc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277727423 455647976 /nfs/dbraw/zinc/64/79/76/455647976.db2.gz NSBDIGKBVKTUHC-CQSZACIVSA-N -1 1 329.356 3.309 20 5 EGBDMM Cc1ccc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000187168836 455876661 /nfs/dbraw/zinc/87/66/61/455876661.db2.gz OHHTUWZRBZNSPO-HNNXBMFYSA-N -1 1 341.367 3.371 20 5 EGBDMM COC(=O)c1c[n-]c(SCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000188091291 455995828 /nfs/dbraw/zinc/99/58/28/455995828.db2.gz DOMNOROXJBPJJL-UHFFFAOYSA-N -1 1 327.749 3.050 20 5 EGBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]nc1-c1ccsc1 ZINC000188923556 456171283 /nfs/dbraw/zinc/17/12/83/456171283.db2.gz CFWVVRXHAJNDAF-UHFFFAOYSA-N -1 1 330.325 3.004 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000343013138 456355364 /nfs/dbraw/zinc/35/53/64/456355364.db2.gz MNAUQNNQHCTZFL-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM O=C(Nc1ccc(OCC(F)(F)F)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340578714 456543021 /nfs/dbraw/zinc/54/30/21/456543021.db2.gz QFIFBKPGBCEFEE-UHFFFAOYSA-N -1 1 329.234 3.116 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(OC4CCCC4)nc3)no2)[n-]1 ZINC000356610384 457083087 /nfs/dbraw/zinc/08/30/87/457083087.db2.gz CBPPREFNGQEUDG-UHFFFAOYSA-N -1 1 341.327 3.356 20 5 EGBDMM CC(C)c1ccc2c(c1)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000445212537 458025508 /nfs/dbraw/zinc/02/55/08/458025508.db2.gz JWDSTJAAZMYLNH-OAHLLOKOSA-N -1 1 341.367 3.236 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CSc1nc(-c2ccccc2O)n[nH]1 ZINC000436477115 458311198 /nfs/dbraw/zinc/31/11/98/458311198.db2.gz VSUVOFMUIRFZBJ-UHFFFAOYSA-N -1 1 344.352 3.083 20 5 EGBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1cc(F)ccc1[O-] ZINC000436889831 458399977 /nfs/dbraw/zinc/39/99/77/458399977.db2.gz AAOJFMNNVSVSJA-UHFFFAOYSA-N -1 1 338.722 3.065 20 5 EGBDMM O=C([O-])[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569370492 459440682 /nfs/dbraw/zinc/44/06/82/459440682.db2.gz COYILSBISSTQOU-GFCCVEGCSA-N -1 1 332.278 3.053 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](C2CCCCC2)C1 ZINC000598776514 460030409 /nfs/dbraw/zinc/03/04/09/460030409.db2.gz MEASDGANHSLELJ-ZDUSSCGKSA-N -1 1 333.388 3.128 20 5 EGBDMM CC(C)c1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000597962274 460126050 /nfs/dbraw/zinc/12/60/50/460126050.db2.gz AKGVILRPMRSOIG-UHFFFAOYSA-N -1 1 341.367 3.017 20 5 EGBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000351516001 534892835 /nfs/dbraw/zinc/89/28/35/534892835.db2.gz VHBJMEPTAMHZKP-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM C[C@@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734003743 575421350 /nfs/dbraw/zinc/42/13/50/575421350.db2.gz SYIAPVGUHSRMPL-NEPJUHHUSA-N -1 1 344.408 3.229 20 5 EGBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000826055167 601655738 /nfs/dbraw/zinc/65/57/38/601655738.db2.gz WLYNANVYGFAUAB-BDJLRTHQSA-N -1 1 332.331 3.286 20 5 EGBDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826053399 601657622 /nfs/dbraw/zinc/65/76/22/601657622.db2.gz IVQOGOXTJWGZJJ-MEDUHNTESA-N -1 1 332.331 3.286 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2cccc(F)c2-c2nnn[n-]2)c(Cl)c1 ZINC000826498497 609452066 /nfs/dbraw/zinc/45/20/66/609452066.db2.gz XHNGJBYJRARCCH-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2cccc(F)c2-c2nn[n-]n2)c(Cl)c1 ZINC000826498497 609452067 /nfs/dbraw/zinc/45/20/67/609452067.db2.gz XHNGJBYJRARCCH-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CC(C)=CCC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000831975929 1292940971 /nfs/dbraw/zinc/94/09/71/1292940971.db2.gz JXQGGWBYFVVMPE-NSHDSACASA-N -1 1 330.381 3.147 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]c2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000118384155 1293236559 /nfs/dbraw/zinc/23/65/59/1293236559.db2.gz FDDYJJMKVHZEKO-UHFFFAOYSA-N -1 1 331.210 3.005 20 5 EGBDMM O=C([N-]Cc1ccccc1[N+](=O)[O-])C(F)(F)c1c(F)cccc1F ZINC000756930286 1300591584 /nfs/dbraw/zinc/59/15/84/1300591584.db2.gz UTZHXSAXCJIAMM-UHFFFAOYSA-N -1 1 342.248 3.281 20 5 EGBDMM O=C(OCCC(Cl)(Cl)Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000767579510 1302714865 /nfs/dbraw/zinc/71/48/65/1302714865.db2.gz SKGSLWMSWOEKGS-UHFFFAOYSA-N -1 1 328.535 3.218 20 5 EGBDMM COC(=O)c1c[n-]c(SCc2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000776433682 1304158326 /nfs/dbraw/zinc/15/83/26/1304158326.db2.gz IWMCIAGTTUNHFL-UHFFFAOYSA-N -1 1 327.749 3.050 20 5 EGBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000800989067 1310848470 /nfs/dbraw/zinc/84/84/70/1310848470.db2.gz WOWXWNPNVAEDDI-ZCFIWIBFSA-N -1 1 342.764 3.059 20 5 EGBDMM CCCCc1nnc([N-]C(=O)c2c(C)c(F)ccc2[N+](=O)[O-])s1 ZINC000843772305 1321546165 /nfs/dbraw/zinc/54/61/65/1321546165.db2.gz SRHNZTQSPIBEQS-UHFFFAOYSA-N -1 1 338.364 3.489 20 5 EGBDMM CC(C)(C)c1cc2ncc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn2n1 ZINC001210395920 1372341918 /nfs/dbraw/zinc/34/19/18/1372341918.db2.gz JCNJOXBNIKSDNG-UHFFFAOYSA-N -1 1 327.344 3.384 20 5 EGBDMM COc1ccccc1OC[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229753425 1375885933 /nfs/dbraw/zinc/88/59/33/1375885933.db2.gz JEHQWOSMFCEGGO-GFCCVEGCSA-N -1 1 333.340 3.464 20 5 EGBDMM C[C@H]1C[C@H](Oc2cc3c(cc2O)c(=O)oc2cc([O-])ccc23)CCO1 ZINC001229806932 1375896268 /nfs/dbraw/zinc/89/62/68/1375896268.db2.gz XMWIHQZNLXUFDT-CMPLNLGQSA-N -1 1 342.347 3.304 20 5 EGBDMM COc1ccccc1[C@H]([N-]c1ncc([N+](=O)[O-])c(C)n1)C(F)(F)F ZINC001162902419 1382910409 /nfs/dbraw/zinc/91/04/09/1382910409.db2.gz MBZSSHGSACASQU-LBPRGKRZSA-N -1 1 342.277 3.417 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000725341726 1428764768 /nfs/dbraw/zinc/76/47/68/1428764768.db2.gz HOMJPKOSUGVLBN-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM CCOc1cc(Oc2ccc(-c3nnn[n-]3)cc2F)ccc1[N+](=O)[O-] ZINC000825615719 1425019323 /nfs/dbraw/zinc/01/93/23/1425019323.db2.gz IJRXAPMUGRRTCL-UHFFFAOYSA-N -1 1 345.290 3.105 20 5 EGBDMM Cc1ccc(Sc2ccc(-c3nnn[n-]3)cc2F)c([N+](=O)[O-])c1 ZINC000826293268 1427633518 /nfs/dbraw/zinc/63/35/18/1427633518.db2.gz IVPFCASHJPSXOL-UHFFFAOYSA-N -1 1 331.332 3.374 20 5 EGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824770035 1430054021 /nfs/dbraw/zinc/05/40/21/1430054021.db2.gz CSJGUEZKNXNUGL-SNVBAGLBSA-N -1 1 344.400 3.029 20 5 EGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824770035 1430054028 /nfs/dbraw/zinc/05/40/28/1430054028.db2.gz CSJGUEZKNXNUGL-SNVBAGLBSA-N -1 1 344.400 3.029 20 5 EGBDMM Cc1ccc([C@@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737318584 1442045015 /nfs/dbraw/zinc/04/50/15/1442045015.db2.gz BCXXKQIPEJCDFC-GFCCVEGCSA-N -1 1 338.371 3.281 20 5 EGBDMM O=[N+]([O-])c1cccc(CCNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826499337 1442135644 /nfs/dbraw/zinc/13/56/44/1442135644.db2.gz FDQYNLRERZYCDO-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM CC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c(C)c1 ZINC000735500060 1442157627 /nfs/dbraw/zinc/15/76/27/1442157627.db2.gz XDKVSZRFVCULRK-UHFFFAOYSA-N -1 1 339.311 3.078 20 5 EGBDMM CCS[C@@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825668986 1447154548 /nfs/dbraw/zinc/15/45/48/1447154548.db2.gz NSFWQZRZDOHEDR-TZMCWYRMSA-N -1 1 348.432 3.251 20 5 EGBDMM C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589334912 953985904 /nfs/dbraw/zinc/98/59/04/953985904.db2.gz VAXUNPYGKSAVJF-TVQRCGJNSA-N -1 1 346.305 3.299 20 5 EGBDMM C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193641055 240248696 /nfs/dbraw/zinc/24/86/96/240248696.db2.gz LAAHESIAPQRSCH-QMTHXVAHSA-N -1 1 345.330 3.058 20 5 EGBDMM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193632752 240241710 /nfs/dbraw/zinc/24/17/10/240241710.db2.gz YKLLFAVABDHUBK-HZMBPMFUSA-N -1 1 345.330 3.058 20 5 EGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000093930746 162034509 /nfs/dbraw/zinc/03/45/09/162034509.db2.gz DMLVDNAFPDHSAQ-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346012671 164317631 /nfs/dbraw/zinc/31/76/31/164317631.db2.gz YFVUKVDUFLRVFX-VIFPVBQESA-N -1 1 332.809 3.105 20 5 EGBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000185696454 275216183 /nfs/dbraw/zinc/21/61/83/275216183.db2.gz RZTVVIQBXWGEIU-UHFFFAOYSA-N -1 1 335.747 3.014 20 5 EGBDMM O=C(Nc1cc(F)cc(Cl)c1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436911361 309780510 /nfs/dbraw/zinc/78/05/10/309780510.db2.gz UFIVONADTCYFFY-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM O=C([N-]c1nccs1)c1sc(Br)cc1[N+](=O)[O-] ZINC000444833759 309931834 /nfs/dbraw/zinc/93/18/34/309931834.db2.gz JDQOZCLKYPSTGV-UHFFFAOYSA-N -1 1 334.176 3.128 20 5 EGBDMM O=C(N[C@H]1CCC[C@@H](c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490153116 311134451 /nfs/dbraw/zinc/13/44/51/311134451.db2.gz RBHIOFRBTAIZFI-HIFRSBDPSA-N -1 1 341.367 3.152 20 5 EGBDMM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])c1[O-] ZINC000493850029 311438837 /nfs/dbraw/zinc/43/88/37/311438837.db2.gz SIHHCWXEIOPAIR-KTKRTIGZSA-N -1 1 326.308 3.155 20 5 EGBDMM CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000505785569 312034526 /nfs/dbraw/zinc/03/45/26/312034526.db2.gz VJQXWWWPCBGXGV-HNNXBMFYSA-N -1 1 347.346 3.304 20 5 EGBDMM C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000557498682 315514734 /nfs/dbraw/zinc/51/47/34/315514734.db2.gz CYZGVJSXFPETLK-ARJAWSKDSA-N -1 1 348.380 3.437 20 5 EGBDMM C[C@@H](CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1)C(=O)[O-] ZINC000570100702 317007607 /nfs/dbraw/zinc/00/76/07/317007607.db2.gz VFSXQMNLMMETPC-LBPRGKRZSA-N -1 1 334.397 3.379 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1[N+](=O)[O-] ZINC000007409049 453073230 /nfs/dbraw/zinc/07/32/30/453073230.db2.gz CJLMJXCUVVKUDP-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000031555921 453848974 /nfs/dbraw/zinc/84/89/74/453848974.db2.gz MHAQCGZVKMCOET-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)ccc1F ZINC000165141789 454895197 /nfs/dbraw/zinc/89/51/97/454895197.db2.gz SPQCBFVRDGAZTL-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261703319 455931374 /nfs/dbraw/zinc/93/13/74/455931374.db2.gz KDRVNUGZUVQRJW-YVLXSGLVSA-N -1 1 338.791 3.466 20 5 EGBDMM O=C([O-])[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263414563 456145057 /nfs/dbraw/zinc/14/50/57/456145057.db2.gz MRIBOJXODNWCPY-CQSZACIVSA-N -1 1 332.381 3.372 20 5 EGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297276288 456169579 /nfs/dbraw/zinc/16/95/79/456169579.db2.gz QEOLWPHLWYXZRL-GJZGRUSLSA-N -1 1 341.367 3.104 20 5 EGBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H]1CCCN(c2ccccc2)C1 ZINC000353885903 456951293 /nfs/dbraw/zinc/95/12/93/456951293.db2.gz UMVFDEDWHXGLOY-KRWDZBQOSA-N -1 1 341.411 3.401 20 5 EGBDMM CC(C)c1nc([C@@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000331846828 457260430 /nfs/dbraw/zinc/26/04/30/457260430.db2.gz CIKZSCFGMPIFDN-HNNXBMFYSA-N -1 1 345.403 3.269 20 5 EGBDMM O=C([N-]c1nnc(-c2ccsc2)s1)c1csc([N+](=O)[O-])c1 ZINC000363345765 457299964 /nfs/dbraw/zinc/29/99/64/457299964.db2.gz SSHCEHVXXCCTHM-UHFFFAOYSA-N -1 1 338.395 3.489 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCC2CC2)cc1C(F)(F)F ZINC000358162327 457826416 /nfs/dbraw/zinc/82/64/16/457826416.db2.gz HDYRFORMZLLYFE-UHFFFAOYSA-N -1 1 338.307 3.155 20 5 EGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC(C(C)(C)C)CC1 ZINC000444860501 457988731 /nfs/dbraw/zinc/98/87/31/457988731.db2.gz QJKOCSSNTXYTDO-UHFFFAOYSA-N -1 1 335.404 3.372 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775100 459213346 /nfs/dbraw/zinc/21/33/46/459213346.db2.gz HHWKQXNZTYKLMP-CQSZACIVSA-N -1 1 344.342 3.459 20 5 EGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000593738470 459968860 /nfs/dbraw/zinc/96/88/60/459968860.db2.gz SJCDYCKSIGARFG-LSDHHAIUSA-N -1 1 336.413 3.153 20 5 EGBDMM CCC1CCC(N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)CC1 ZINC000187555019 527835024 /nfs/dbraw/zinc/83/50/24/527835024.db2.gz JMCNNNFPYAPBOL-UHFFFAOYSA-N -1 1 333.388 3.269 20 5 EGBDMM Cc1ccc(C)c(CSc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000737322187 576205680 /nfs/dbraw/zinc/20/56/80/576205680.db2.gz JBHWQDFWXRMVNC-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)c1 ZINC000768834862 1302992123 /nfs/dbraw/zinc/99/21/23/1302992123.db2.gz OYUGGFYNPGRZKJ-UHFFFAOYSA-N -1 1 340.426 3.060 20 5 EGBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000119342586 1293266778 /nfs/dbraw/zinc/26/67/78/1293266778.db2.gz IMQQYJFMXCHDAM-MRVPVSSYSA-N -1 1 346.817 3.349 20 5 EGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000801290144 1310902202 /nfs/dbraw/zinc/90/22/02/1310902202.db2.gz WKYYLBQMBFZGLR-VIFPVBQESA-N -1 1 328.280 3.360 20 5 EGBDMM O=C(Nc1cc(Cl)c(O)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000805257979 1317334718 /nfs/dbraw/zinc/33/47/18/1317334718.db2.gz BGYVJAFASNPGOG-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000903939586 1317751883 /nfs/dbraw/zinc/75/18/83/1317751883.db2.gz UOCGKIZYMMBNRV-NXEZZACHSA-N -1 1 346.305 3.299 20 5 EGBDMM O=C([N-]c1cccc([N+](=O)[O-])c1Cl)c1ccc([N+](=O)[O-])s1 ZINC000813241948 1318519964 /nfs/dbraw/zinc/51/99/64/1318519964.db2.gz IMIJBERNSVDOKA-UHFFFAOYSA-N -1 1 327.705 3.470 20 5 EGBDMM Cc1nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(N)cc1Br ZINC001210396436 1372342342 /nfs/dbraw/zinc/34/23/42/1372342342.db2.gz RNQBXSRIRPZAOR-UHFFFAOYSA-N -1 1 339.149 3.092 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)cc(C(F)(F)F)c2)no1 ZINC001212893159 1372791089 /nfs/dbraw/zinc/79/10/89/1372791089.db2.gz OVFUHZXEGRHXQG-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(F)c2C(F)(F)F)no1 ZINC001212893033 1372791490 /nfs/dbraw/zinc/79/14/90/1372791490.db2.gz JHJTZLMWCPJTQF-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001226309340 1375236463 /nfs/dbraw/zinc/23/64/63/1375236463.db2.gz FDSMBWUTAKLRCK-HBNTYKKESA-N -1 1 338.360 3.076 20 5 EGBDMM CCC[C@@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001226309347 1375236630 /nfs/dbraw/zinc/23/66/30/1375236630.db2.gz FFGHLFSMMPHRCN-LLVKDONJSA-N -1 1 326.349 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)CCC=C(C)C ZINC001226309021 1375236657 /nfs/dbraw/zinc/23/66/57/1375236657.db2.gz CDIAKGJFLSYMDF-NSHDSACASA-N -1 1 338.360 3.386 20 5 EGBDMM Cc1nc(Cl)nc([N-][C@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001156154510 1380532229 /nfs/dbraw/zinc/53/22/29/1380532229.db2.gz QVQFQIWUEPVHML-SECBINFHSA-N -1 1 347.684 3.457 20 5 EGBDMM COc1ccnc([N-][C@@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001168477394 1383917472 /nfs/dbraw/zinc/91/74/72/1383917472.db2.gz JJWJRXSHNHONOX-NSHDSACASA-N -1 1 328.250 3.109 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c(Nc2nc(Br)ccc2[O-])c1 ZINC001175735167 1385389711 /nfs/dbraw/zinc/38/97/11/1385389711.db2.gz UGQWXHXLDUUIQP-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1cccc(CSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000738368047 1429340402 /nfs/dbraw/zinc/34/04/02/1429340402.db2.gz ZJGGKAIXFQOXNR-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM O=[N+]([O-])c1cc(NCCc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000823634801 1429596722 /nfs/dbraw/zinc/59/67/22/1429596722.db2.gz MISYLJFNVJKVAE-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736829206 1441828751 /nfs/dbraw/zinc/82/87/51/1441828751.db2.gz WQWYPJNNAPJOMT-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000826498267 1443485676 /nfs/dbraw/zinc/48/56/76/1443485676.db2.gz NSWHJLAWMDXRDN-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CC(C)C[C@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824228035 1443993659 /nfs/dbraw/zinc/99/36/59/1443993659.db2.gz DKJLKAJEIPMRQA-JTQLQIEISA-N -1 1 341.375 3.170 20 5 EGBDMM O=[N+]([O-])c1ccc(CNc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826498042 1446159098 /nfs/dbraw/zinc/15/90/98/1446159098.db2.gz FHECKDIPXSVYPO-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193632737 240241808 /nfs/dbraw/zinc/24/18/08/240241808.db2.gz YKLLFAVABDHUBK-YGRLFVJLSA-N -1 1 345.330 3.058 20 5 EGBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c1 ZINC000095410034 218346885 /nfs/dbraw/zinc/34/68/85/218346885.db2.gz NNULFQYRQHZYJC-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000007053387 208576982 /nfs/dbraw/zinc/57/69/82/208576982.db2.gz WNRFDOBFFUUOHX-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186877028 144145656 /nfs/dbraw/zinc/14/56/56/144145656.db2.gz BEJIUYUOHSYECO-SNVBAGLBSA-N -1 1 341.323 3.275 20 5 EGBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000315241762 154156883 /nfs/dbraw/zinc/15/68/83/154156883.db2.gz UFGPNWFQFSZSPP-ZDUSSCGKSA-N -1 1 326.780 3.468 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(F)cc1Br ZINC000336836366 154217589 /nfs/dbraw/zinc/21/75/89/154217589.db2.gz KOYOTAXPWLMXNX-UHFFFAOYSA-N -1 1 342.124 3.385 20 5 EGBDMM CC(C)[C@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000344982153 155879721 /nfs/dbraw/zinc/87/97/21/155879721.db2.gz OYXCQTRBIAFODH-HUUCEWRRSA-N -1 1 341.367 3.310 20 5 EGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000181330097 162784462 /nfs/dbraw/zinc/78/44/62/162784462.db2.gz KGPMXQATBDJZQP-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM Cc1c(Cc2nc(-c3ccc([O-])c(F)c3)no2)cccc1[N+](=O)[O-] ZINC000445482061 309942176 /nfs/dbraw/zinc/94/21/76/309942176.db2.gz OPNIIWCCFXERLR-UHFFFAOYSA-N -1 1 329.287 3.389 20 5 EGBDMM Cc1ccc(C(C)(C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000572789490 317391618 /nfs/dbraw/zinc/39/16/18/317391618.db2.gz MWZFOSGPSSAALC-UHFFFAOYSA-N -1 1 343.383 3.020 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000005849993 452905896 /nfs/dbraw/zinc/90/58/96/452905896.db2.gz BKARYNTYKJAOTH-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000031555881 453849088 /nfs/dbraw/zinc/84/90/88/453849088.db2.gz UAYZMNMPLFRKAZ-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc([N+](=O)[O-])cnc1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000092687627 454611118 /nfs/dbraw/zinc/61/11/18/454611118.db2.gz PPOFHUYZUQIOMZ-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000106006503 454674015 /nfs/dbraw/zinc/67/40/15/454674015.db2.gz SGAZGFUPJNXGMR-LLVKDONJSA-N -1 1 348.380 3.027 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000093704244 454730205 /nfs/dbraw/zinc/73/02/05/454730205.db2.gz CTTKONIAMAZDEZ-INIZCTEOSA-N -1 1 327.384 3.377 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000158545812 455311727 /nfs/dbraw/zinc/31/17/27/455311727.db2.gz YEYGDBARVUUEEH-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(OC(F)F)ccc3F)no2)[n-]1 ZINC000340711349 456643003 /nfs/dbraw/zinc/64/30/03/456643003.db2.gz XZHCJTLNDJKNHA-UHFFFAOYSA-N -1 1 340.217 3.380 20 5 EGBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000356614993 457085272 /nfs/dbraw/zinc/08/52/72/457085272.db2.gz LHDYOQCKCIQZCH-UHFFFAOYSA-N -1 1 335.747 3.014 20 5 EGBDMM O=C(N=c1cc(-c2cccs2)[n-][nH]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000347080972 457221116 /nfs/dbraw/zinc/22/11/16/457221116.db2.gz WUKQPZWQGNUTCW-UHFFFAOYSA-N -1 1 348.771 3.374 20 5 EGBDMM CC(=O)c1cc(F)c([N-]C(=O)c2csc([N+](=O)[O-])c2)c(F)c1 ZINC000347202864 457286530 /nfs/dbraw/zinc/28/65/30/457286530.db2.gz MOKHSFHAGPBYHC-UHFFFAOYSA-N -1 1 326.280 3.389 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Br)c3)no2)[n-]1 ZINC000356109809 457455079 /nfs/dbraw/zinc/45/50/79/457455079.db2.gz DLZPLVKBOWHJBU-UHFFFAOYSA-N -1 1 335.117 3.402 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(C(F)(F)F)c3)no2)[n-]1 ZINC000347514889 457478208 /nfs/dbraw/zinc/47/82/08/457478208.db2.gz XAADEYFMXHLKNJ-UHFFFAOYSA-N -1 1 325.206 3.054 20 5 EGBDMM COc1cc(C(=O)[N-]c2c(C)noc2C2CC2)c([N+](=O)[O-])cc1OC ZINC000361949920 457973680 /nfs/dbraw/zinc/97/36/80/457973680.db2.gz RXNRJDCNZJIORY-UHFFFAOYSA-N -1 1 347.327 3.038 20 5 EGBDMM Cc1ccccc1[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000445024929 458008003 /nfs/dbraw/zinc/00/80/03/458008003.db2.gz XZBNGQOUYOCMFT-OAHLLOKOSA-N -1 1 329.356 3.131 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000594734231 459145549 /nfs/dbraw/zinc/14/55/49/459145549.db2.gz UDBCFMYWLCQYKC-HRCADAONSA-N -1 1 348.399 3.069 20 5 EGBDMM CCCCC1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000525700438 459478998 /nfs/dbraw/zinc/47/89/98/459478998.db2.gz OIUBRGFQEUTULW-UHFFFAOYSA-N -1 1 341.433 3.017 20 5 EGBDMM CCCC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727837262 574693924 /nfs/dbraw/zinc/69/39/24/574693924.db2.gz UXSHTXXYRADPDC-WCQYABFASA-N -1 1 344.408 3.371 20 5 EGBDMM CC[C@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736915033 576059743 /nfs/dbraw/zinc/05/97/43/576059743.db2.gz BJGWLOIHDRAXRE-QGZVFWFLSA-N -1 1 332.331 3.214 20 5 EGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000125469482 1293507734 /nfs/dbraw/zinc/50/77/34/1293507734.db2.gz PRBYGOHYOKDZRD-UHFFFAOYSA-N -1 1 342.760 3.063 20 5 EGBDMM C[C@@H]1CCc2[n-]n(-c3cc([N+](=O)[O-])ccc3Br)c(=O)c21 ZINC000871960199 1296632242 /nfs/dbraw/zinc/63/22/42/1296632242.db2.gz WBQHIDQAECEGOW-KRTXAFLBSA-N -1 1 338.161 3.106 20 5 EGBDMM C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768920171 1303013625 /nfs/dbraw/zinc/01/36/25/1303013625.db2.gz MZUQIWCTAPLUFO-VIFPVBQESA-N -1 1 332.809 3.105 20 5 EGBDMM Cc1cscc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000785288854 1305329875 /nfs/dbraw/zinc/32/98/75/1305329875.db2.gz GMVMTFWJURTOFD-UHFFFAOYSA-N -1 1 346.817 3.097 20 5 EGBDMM CCOC(=O)/C(=C/c1ccc([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cn1 ZINC000791426986 1308991357 /nfs/dbraw/zinc/99/13/57/1308991357.db2.gz FKJVWMCOVILLLV-KPKJPENVSA-N -1 1 348.742 3.453 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc(Cl)c(Br)n2)ccc1[O-] ZINC001210395414 1372341892 /nfs/dbraw/zinc/34/18/92/1372341892.db2.gz VWJIRFFHEIMFGV-UHFFFAOYSA-N -1 1 345.540 3.250 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2nc(Br)ccc2[O-])ccc1F ZINC001211188639 1372496439 /nfs/dbraw/zinc/49/64/39/1372496439.db2.gz KTQDZDFYOCQDRY-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(C(F)(F)F)ccc2F)no1 ZINC001212893066 1372791179 /nfs/dbraw/zinc/79/11/79/1372791179.db2.gz KYKLQFWQHGHZDU-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCNCC3(F)F)ccc12 ZINC001218010682 1373535741 /nfs/dbraw/zinc/53/57/41/1373535741.db2.gz RCQBNHJMOTWGCM-MRXNPFEDSA-N -1 1 347.317 3.028 20 5 EGBDMM COc1ccccc1[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001225664530 1375140856 /nfs/dbraw/zinc/14/08/56/1375140856.db2.gz QCPKWPMUURFPHN-LBPRGKRZSA-N -1 1 344.245 3.386 20 5 EGBDMM COc1ccccc1[C@H](Oc1nccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225664530 1375140858 /nfs/dbraw/zinc/14/08/58/1375140858.db2.gz QCPKWPMUURFPHN-LBPRGKRZSA-N -1 1 344.245 3.386 20 5 EGBDMM O=C1CCCC[C@@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229805608 1375896415 /nfs/dbraw/zinc/89/64/15/1375896415.db2.gz MPJFHFMFJBFMQK-INIZCTEOSA-N -1 1 340.331 3.248 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3c(F)cc([O-])cc3F)c-2cc1=O ZINC001175099370 1385194863 /nfs/dbraw/zinc/19/48/63/1385194863.db2.gz CPTLWYIYCYTLEO-UHFFFAOYSA-N -1 1 339.301 3.057 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cn2)c(Cl)c1 ZINC000826498061 1426700418 /nfs/dbraw/zinc/70/04/18/1426700418.db2.gz GILBVXGKBKPXEZ-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM O=[N+]([O-])c1cc(N[C@H]2CCCc3ccccc32)ccc1-c1nnn[n-]1 ZINC000823635176 1428151478 /nfs/dbraw/zinc/15/14/78/1428151478.db2.gz RNZAVXHDFRYXKR-HNNXBMFYSA-N -1 1 336.355 3.264 20 5 EGBDMM O=[N+]([O-])c1ccc(OCc2cc(F)ccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823644141 1441915536 /nfs/dbraw/zinc/91/55/36/1441915536.db2.gz GERNZXNQIROSSA-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=C([O-])C[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000902006392 980684089 /nfs/dbraw/zinc/68/40/89/980684089.db2.gz FJMNTPKGQJZLLM-CYBMUJFWSA-N -1 1 347.396 3.157 20 5 EGBDMM C[C@@H](NCc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc2c(c1)CCO2 ZINC001599841476 988842111 /nfs/dbraw/zinc/84/21/11/988842111.db2.gz JNLUTSGFYLHYLA-LLVKDONJSA-N -1 1 342.351 3.079 20 5 EGBDMM O=C([O-])c1cccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000263512514 141055035 /nfs/dbraw/zinc/05/50/35/141055035.db2.gz ZGDMDXXSBVHLPS-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000119326967 152195865 /nfs/dbraw/zinc/19/58/65/152195865.db2.gz CAEDMBKSCWISFY-UHFFFAOYSA-N -1 1 334.691 3.290 20 5 EGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C ZINC000181329154 162783916 /nfs/dbraw/zinc/78/39/16/162783916.db2.gz FKVVLUYQKXXQBN-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000274424855 267234451 /nfs/dbraw/zinc/23/44/51/267234451.db2.gz ZEXNWFCNZBMPNQ-SNVBAGLBSA-N -1 1 344.371 3.301 20 5 EGBDMM CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298845671 308644114 /nfs/dbraw/zinc/64/41/14/308644114.db2.gz CNAVIXGOBPDWKB-UHFFFAOYSA-N -1 1 330.344 3.160 20 5 EGBDMM CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000299213297 308666391 /nfs/dbraw/zinc/66/63/91/308666391.db2.gz HYOVKJIKZBLKBR-UHFFFAOYSA-N -1 1 330.344 3.222 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](C1CC1)C1CCC1 ZINC000416513874 309172721 /nfs/dbraw/zinc/17/27/21/309172721.db2.gz YGYUBYPZSBMWRO-CYBMUJFWSA-N -1 1 344.820 3.105 20 5 EGBDMM CC1CCC(C)([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000504472282 312006855 /nfs/dbraw/zinc/00/68/55/312006855.db2.gz ZWLZPUWFOVZYTP-UHFFFAOYSA-N -1 1 346.836 3.495 20 5 EGBDMM CC1CCC(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000516343769 312320797 /nfs/dbraw/zinc/32/07/97/312320797.db2.gz UBDNLUYAUVVYPC-UHFFFAOYSA-N -1 1 346.836 3.353 20 5 EGBDMM CCOC(=O)c1ccc(NC(=O)c2c(C)cccc2[N+](=O)[O-])c([O-])c1 ZINC000562482550 315839779 /nfs/dbraw/zinc/83/97/79/315839779.db2.gz AAKDUSUVRQARAX-UHFFFAOYSA-N -1 1 344.323 3.038 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000119587107 454205898 /nfs/dbraw/zinc/20/58/98/454205898.db2.gz ZYPCMHIGTXHOOM-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000131726396 454279837 /nfs/dbraw/zinc/27/98/37/454279837.db2.gz RJHSRTJOQWFCNR-CHWSQXEVSA-N -1 1 341.367 3.022 20 5 EGBDMM CCc1cc(=O)[n-]c(SCc2cc([N+](=O)[O-])ccc2OC(C)C)n1 ZINC000188112752 456001088 /nfs/dbraw/zinc/00/10/88/456001088.db2.gz BECYTZHDCQIUMU-UHFFFAOYSA-N -1 1 349.412 3.320 20 5 EGBDMM CC[C@H]1C[C@@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000337586239 456402894 /nfs/dbraw/zinc/40/28/94/456402894.db2.gz AGRWHUKFFNFMCW-UGSOOPFHSA-N -1 1 341.367 3.059 20 5 EGBDMM CN(Cc1ccc2ccccc2c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361866376 457917060 /nfs/dbraw/zinc/91/70/60/457917060.db2.gz AAHXMTKCWWRDNZ-UHFFFAOYSA-N -1 1 337.335 3.121 20 5 EGBDMM CCC(CC)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000445003016 458004411 /nfs/dbraw/zinc/00/44/11/458004411.db2.gz CAHCFSTWKAIWSF-UHFFFAOYSA-N -1 1 343.383 3.183 20 5 EGBDMM C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445217972 458027584 /nfs/dbraw/zinc/02/75/84/458027584.db2.gz VHZCVOOLBOXDCO-BDJLRTHQSA-N -1 1 341.367 3.139 20 5 EGBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1cc(Cl)ccc1[O-] ZINC000436626340 458347524 /nfs/dbraw/zinc/34/75/24/458347524.db2.gz HGOLEUPBJVKKAS-UHFFFAOYSA-N -1 1 334.759 3.269 20 5 EGBDMM CCC(CC)(CC)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462493507 458626289 /nfs/dbraw/zinc/62/62/89/458626289.db2.gz UEYOFLWCFYCHPM-UHFFFAOYSA-N -1 1 334.825 3.495 20 5 EGBDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000440292650 458801423 /nfs/dbraw/zinc/80/14/23/458801423.db2.gz QFNPYRPVSJASAH-UHFFFAOYSA-N -1 1 348.380 3.109 20 5 EGBDMM O=C([O-])C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000576473290 460150105 /nfs/dbraw/zinc/15/01/05/460150105.db2.gz SALGKZCZVITBOL-JTQLQIEISA-N -1 1 332.278 3.053 20 5 EGBDMM C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833555208 604674831 /nfs/dbraw/zinc/67/48/31/604674831.db2.gz SEFWCCFBQWJTJH-MRXNPFEDSA-N -1 1 347.396 3.015 20 5 EGBDMM CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000725827600 1298370701 /nfs/dbraw/zinc/37/07/01/1298370701.db2.gz UTADHODITVGCNW-UHFFFAOYSA-N -1 1 332.809 3.249 20 5 EGBDMM O=C(OCc1nc(Cl)ccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000765495640 1302272634 /nfs/dbraw/zinc/27/26/34/1302272634.db2.gz VFIRUOSGFFBXIL-UHFFFAOYSA-N -1 1 343.122 3.359 20 5 EGBDMM O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])cc1F ZINC000782351785 1304960055 /nfs/dbraw/zinc/96/00/55/1304960055.db2.gz JSOPRPQYDCQKPY-UHFFFAOYSA-N -1 1 325.679 3.450 20 5 EGBDMM O=C([N-]c1ccccc1SC(F)(F)F)c1c[nH]nc1[N+](=O)[O-] ZINC000791342266 1308964206 /nfs/dbraw/zinc/96/42/06/1308964206.db2.gz GLLSSNNSLPMIRD-UHFFFAOYSA-N -1 1 332.263 3.182 20 5 EGBDMM O=C(Nc1cc(Cl)c(O)cc1F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000805256892 1317334750 /nfs/dbraw/zinc/33/47/50/1317334750.db2.gz JJOYTUOVLJMQPN-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccc([O-])cc1F ZINC001186329711 1387923823 /nfs/dbraw/zinc/92/38/23/1387923823.db2.gz UWLGCNJFDZPYMG-UHFFFAOYSA-N -1 1 348.337 3.462 20 5 EGBDMM CCOC(=O)c1oc2ncccc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392491 1372340269 /nfs/dbraw/zinc/34/02/69/1372340269.db2.gz FGOVCPGSLRRNRP-UHFFFAOYSA-N -1 1 343.295 3.362 20 5 EGBDMM CC(C)(C)c1cnn2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)cnc12 ZINC001210395714 1372340988 /nfs/dbraw/zinc/34/09/88/1372340988.db2.gz CUSGZTBWHMIRBH-UHFFFAOYSA-N -1 1 327.344 3.384 20 5 EGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cc(-c2ccccc2)no1 ZINC001225665295 1375140697 /nfs/dbraw/zinc/14/06/97/1375140697.db2.gz XNHOZPCKHXWVFH-SNVBAGLBSA-N -1 1 327.296 3.490 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)CC[C@@H](C)CC ZINC001226309416 1375236697 /nfs/dbraw/zinc/23/66/97/1375236697.db2.gz GHVABQZUCAJPRL-QWRGUYRKSA-N -1 1 340.376 3.466 20 5 EGBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@H]3CCO3)c([N+](=O)[O-])c2)cc1 ZINC001227700505 1375463631 /nfs/dbraw/zinc/46/36/31/1375463631.db2.gz VRLIHIKMYYLBRY-CQSZACIVSA-N -1 1 343.335 3.008 20 5 EGBDMM C[C@@H](Cc1ccco1)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228859653 1375697626 /nfs/dbraw/zinc/69/76/26/1375697626.db2.gz MMIZVYVYAMABQL-ZETCQYMHSA-N -1 1 332.234 3.317 20 5 EGBDMM CCOC(=O)C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229397254 1375827811 /nfs/dbraw/zinc/82/78/11/1375827811.db2.gz FIASRLHHSRABCE-OAHLLOKOSA-N -1 1 331.324 3.374 20 5 EGBDMM COc1ccccc1[C@@H]([N-]c1ncc([N+](=O)[O-])c(C)n1)C(F)(F)F ZINC001162902418 1382910616 /nfs/dbraw/zinc/91/06/16/1382910616.db2.gz MBZSSHGSACASQU-GFCCVEGCSA-N -1 1 342.277 3.417 20 5 EGBDMM CCC[C@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccn1 ZINC000736435764 1426747169 /nfs/dbraw/zinc/74/71/69/1426747169.db2.gz MIXFQZBCJCZLDW-HNNXBMFYSA-N -1 1 339.359 3.123 20 5 EGBDMM CC(C)(C)C1CCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])CC1 ZINC000735597968 1446163276 /nfs/dbraw/zinc/16/32/76/1446163276.db2.gz VDJSBODBWIDDLK-UHFFFAOYSA-N -1 1 330.392 3.037 20 5 EGBDMM CO[C@H](C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736963835 1446746718 /nfs/dbraw/zinc/74/67/18/1446746718.db2.gz UHFUMUKBGIZWQL-SNVBAGLBSA-N -1 1 340.343 3.226 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823639761 1447259375 /nfs/dbraw/zinc/25/93/75/1447259375.db2.gz HFGOLTVIQVDXLT-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM C[C@](CC(=O)[O-])(NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC001592327804 977742042 /nfs/dbraw/zinc/74/20/42/977742042.db2.gz FDGCYRDKYDNSNY-MRXNPFEDSA-N -1 1 349.774 3.123 20 5 EGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000187041525 144150839 /nfs/dbraw/zinc/15/08/39/144150839.db2.gz MVGZUNTZFGZKLZ-UHFFFAOYSA-N -1 1 349.774 3.056 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1cccc(Cl)c1 ZINC000193435125 153290432 /nfs/dbraw/zinc/29/04/32/153290432.db2.gz PLFPOOZZEUCTDW-ZDUSSCGKSA-N -1 1 347.758 3.326 20 5 EGBDMM O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343742278 164024455 /nfs/dbraw/zinc/02/44/55/164024455.db2.gz BZUIIPDATHSFEZ-UHFFFAOYSA-N -1 1 337.295 3.312 20 5 EGBDMM O=C(Cc1n[nH]c2ccccc21)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000355584769 166251210 /nfs/dbraw/zinc/25/12/10/166251210.db2.gz MTTYZXWSDYCHRZ-UHFFFAOYSA-N -1 1 346.730 3.011 20 5 EGBDMM CC(C)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000102792813 275159445 /nfs/dbraw/zinc/15/94/45/275159445.db2.gz BXBRRBSMXGJLCY-UHFFFAOYSA-N -1 1 329.356 3.091 20 5 EGBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(C3CCCC3)c2C)n1 ZINC000287617699 276140172 /nfs/dbraw/zinc/14/01/72/276140172.db2.gz GLRQWUUBQFPZJA-UHFFFAOYSA-N -1 1 345.359 3.140 20 5 EGBDMM CCCN(CC(=O)[O-])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414688997 309095522 /nfs/dbraw/zinc/09/55/22/309095522.db2.gz ZGJNKDGSUNPGKY-UHFFFAOYSA-N -1 1 348.355 3.160 20 5 EGBDMM O=C([N-]c1cc(-c2cccc(F)c2)on1)c1ccc([N+](=O)[O-])s1 ZINC000448545399 310005893 /nfs/dbraw/zinc/00/58/93/310005893.db2.gz ZRVZHDVBBGEDMM-UHFFFAOYSA-N -1 1 333.300 3.125 20 5 EGBDMM CCOc1cc(CN2CCC(CCC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000516076349 312307937 /nfs/dbraw/zinc/30/79/37/312307937.db2.gz PFGVYUPSHOEPMU-UHFFFAOYSA-N -1 1 336.388 3.070 20 5 EGBDMM CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516344254 312320842 /nfs/dbraw/zinc/32/08/42/312320842.db2.gz INCGHOBYUANFKH-ZYHUDNBSSA-N -1 1 346.836 3.495 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000561758083 315780994 /nfs/dbraw/zinc/78/09/94/315780994.db2.gz UEOJFFIHTQXMBZ-UHFFFAOYSA-N -1 1 340.788 3.499 20 5 EGBDMM Cc1cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C)ccc2[nH]1 ZINC000031721830 453852399 /nfs/dbraw/zinc/85/23/99/453852399.db2.gz KHJRSQHCFRZAFW-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1ccccc1[N+](=O)[O-] ZINC000182119492 455439611 /nfs/dbraw/zinc/43/96/11/455439611.db2.gz QOUYKNHMYSGZQX-UHFFFAOYSA-N -1 1 332.366 3.427 20 5 EGBDMM CCN(Cc1ccc(Cl)s1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102798791 454520450 /nfs/dbraw/zinc/52/04/50/454520450.db2.gz OZGNFLAICFUMDV-UHFFFAOYSA-N -1 1 341.776 3.073 20 5 EGBDMM Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])cc3F)n[nH]2)cc1 ZINC000123905643 454686709 /nfs/dbraw/zinc/68/67/09/454686709.db2.gz AQATXFOPTYGKLG-UHFFFAOYSA-N -1 1 341.302 3.080 20 5 EGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OC[C@@H]2CCCO2)c1 ZINC000347708944 456318991 /nfs/dbraw/zinc/31/89/91/456318991.db2.gz PESRRLYSMOQRAU-LBPRGKRZSA-N -1 1 345.355 3.041 20 5 EGBDMM Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000299043830 456592251 /nfs/dbraw/zinc/59/22/51/456592251.db2.gz SBOLWVLGTOBDDR-UHFFFAOYSA-N -1 1 330.344 3.078 20 5 EGBDMM CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(C)Cc1ccccc1 ZINC000339351938 457063003 /nfs/dbraw/zinc/06/30/03/457063003.db2.gz FQVXTZCMLMBQLV-MRXNPFEDSA-N -1 1 343.383 3.150 20 5 EGBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000445005231 458005283 /nfs/dbraw/zinc/00/52/83/458005283.db2.gz RAWUFSGHZQMWOX-AWEZNQCLSA-N -1 1 349.774 3.476 20 5 EGBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000445009379 458006683 /nfs/dbraw/zinc/00/66/83/458006683.db2.gz RMIBXIVYCOOOTR-CQSZACIVSA-N -1 1 349.774 3.476 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C)(C(=O)[O-])CC1 ZINC000592398283 459592285 /nfs/dbraw/zinc/59/22/85/459592285.db2.gz BJRJVDOPNOUOLV-UHFFFAOYSA-N -1 1 336.388 3.069 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1CC(=O)[O-] ZINC000593290759 459830858 /nfs/dbraw/zinc/83/08/58/459830858.db2.gz OSMOUWOHBKOPQQ-CQSZACIVSA-N -1 1 336.388 3.211 20 5 EGBDMM CC(C)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610211858 460084029 /nfs/dbraw/zinc/08/40/29/460084029.db2.gz CDRAZTMZYVAWIV-AWEZNQCLSA-N -1 1 349.412 3.056 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(COc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000826498540 607864013 /nfs/dbraw/zinc/86/40/13/607864013.db2.gz ZVNDHPABFNYPOZ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(COc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000826498540 607864014 /nfs/dbraw/zinc/86/40/14/607864014.db2.gz ZVNDHPABFNYPOZ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000154230310 1294047448 /nfs/dbraw/zinc/04/74/48/1294047448.db2.gz AHZDBHLCPVAILK-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000192727007 1295793772 /nfs/dbraw/zinc/79/37/72/1295793772.db2.gz BJXCLQUSIOWQLZ-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM Cc1cc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc(C)c1F ZINC000780070512 1304635230 /nfs/dbraw/zinc/63/52/30/1304635230.db2.gz YUKSCXMGUQSLSR-UHFFFAOYSA-N -1 1 347.298 3.096 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000800052293 1310665226 /nfs/dbraw/zinc/66/52/26/1310665226.db2.gz PEIHEEJTDVJIMI-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1F ZINC000813759173 1318626319 /nfs/dbraw/zinc/62/63/19/1318626319.db2.gz ZVBFYUKZKHLKSZ-UHFFFAOYSA-N -1 1 344.389 3.009 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccc3nnc(C4CCC4)n3c2)ccc1[O-] ZINC001210395750 1372341291 /nfs/dbraw/zinc/34/12/91/1372341291.db2.gz FOSFHAIFLUUHQN-UHFFFAOYSA-N -1 1 325.328 3.354 20 5 EGBDMM CN(c1ccc([O-])c([N+](=O)[O-])c1)c1c(N)cccc1Br ZINC001210397492 1372342715 /nfs/dbraw/zinc/34/27/15/1372342715.db2.gz CHRQELJZAUCALG-UHFFFAOYSA-N -1 1 338.161 3.413 20 5 EGBDMM CN(c1ccc([O-])c([N+](=O)[O-])c1)c1cc(Br)ccc1N ZINC001210399135 1372342932 /nfs/dbraw/zinc/34/29/32/1372342932.db2.gz RRDDGAMNDUOJLV-UHFFFAOYSA-N -1 1 338.161 3.413 20 5 EGBDMM CSc1nnc([N-]c2ccc(F)cc2[N+](=O)[O-])c(SC)n1 ZINC001210950625 1372459472 /nfs/dbraw/zinc/45/94/72/1372459472.db2.gz ZFTMPGOQNRNJBC-UHFFFAOYSA-N -1 1 327.366 3.106 20 5 EGBDMM C[C@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC001228604084 1375614232 /nfs/dbraw/zinc/61/42/32/1375614232.db2.gz OVTNXYATLVTOHO-ZETCQYMHSA-N -1 1 337.282 3.386 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccncc1F ZINC001228859979 1375696946 /nfs/dbraw/zinc/69/69/46/1375696946.db2.gz PKVAECBUXGNHPB-ZCFIWIBFSA-N -1 1 347.224 3.388 20 5 EGBDMM C[C@H]1COCC[C@@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514484 1375849603 /nfs/dbraw/zinc/84/96/03/1375849603.db2.gz IRFGKYORKXPMAW-ZBEGNZNMSA-N -1 1 326.348 3.456 20 5 EGBDMM C[C@@H](Sc1ccc(-c2nnn[n-]2)cn1)c1ccccc1[N+](=O)[O-] ZINC000820550836 1428933998 /nfs/dbraw/zinc/93/39/98/1428933998.db2.gz ZTUYMBHXDRNATN-SECBINFHSA-N -1 1 328.357 3.023 20 5 EGBDMM O=[N+]([O-])c1ccccc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738369850 1442466492 /nfs/dbraw/zinc/46/64/92/1442466492.db2.gz PVGYUABJRQEDGA-UHFFFAOYSA-N -1 1 345.359 3.347 20 5 EGBDMM CO[C@@H](C)c1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736963834 1443787307 /nfs/dbraw/zinc/78/73/07/1443787307.db2.gz UHFUMUKBGIZWQL-JTQLQIEISA-N -1 1 340.343 3.226 20 5 EGBDMM CC1(C)CC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001575641406 950921208 /nfs/dbraw/zinc/92/12/08/950921208.db2.gz PLLNKNDTGHATHH-UHFFFAOYSA-N -1 1 345.407 3.187 20 5 EGBDMM CC1(C)CC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC(C)(C)C1 ZINC001575641406 950921220 /nfs/dbraw/zinc/92/12/20/950921220.db2.gz PLLNKNDTGHATHH-UHFFFAOYSA-N -1 1 345.407 3.187 20 5 EGBDMM O=C([O-])CC[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901554047 956339154 /nfs/dbraw/zinc/33/91/54/956339154.db2.gz VFINHIUNKHGHOL-LLVKDONJSA-N -1 1 326.780 3.325 20 5 EGBDMM C[C@](CC(=O)[O-])(NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC001592328534 977747918 /nfs/dbraw/zinc/74/79/18/977747918.db2.gz LIMMOSPAKWONBZ-MRXNPFEDSA-N -1 1 349.774 3.123 20 5 EGBDMM CC(C)(NCc1ccccc1CC(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC001590872778 990781819 /nfs/dbraw/zinc/78/18/19/990781819.db2.gz SFAVKZUDQSMZMO-UHFFFAOYSA-N -1 1 328.368 3.247 20 5 EGBDMM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593204850 994208479 /nfs/dbraw/zinc/20/84/79/994208479.db2.gz WIYNWVBSLKEVPG-STQMWFEESA-N -1 1 344.367 3.470 20 5 EGBDMM C[C@@H](N[C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccc1OCC(=O)[O-] ZINC001593205145 994209979 /nfs/dbraw/zinc/20/99/79/994209979.db2.gz XZNJOMRXWILGTK-QWHCGFSZSA-N -1 1 344.367 3.470 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1OCC(=O)[O-] ZINC001593352734 994968721 /nfs/dbraw/zinc/96/87/21/994968721.db2.gz HGMLWPVJVDGUIV-QWHCGFSZSA-N -1 1 344.367 3.470 20 5 EGBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263448899 141050320 /nfs/dbraw/zinc/05/03/20/141050320.db2.gz YWNBOIYMMNCXMD-OAHLLOKOSA-N -1 1 330.340 3.294 20 5 EGBDMM CC1(C)CC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000351737400 144299144 /nfs/dbraw/zinc/29/91/44/144299144.db2.gz ITANIYZSTRHHJG-CQSZACIVSA-N -1 1 341.367 3.238 20 5 EGBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000351900874 165141904 /nfs/dbraw/zinc/14/19/04/165141904.db2.gz FODFAHNVMVWDHS-UHFFFAOYSA-N -1 1 341.295 3.003 20 5 EGBDMM Cc1onc(-c2cccnc2)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000367442401 168225605 /nfs/dbraw/zinc/22/56/05/168225605.db2.gz GUESBBYKIQAPDU-UHFFFAOYSA-N -1 1 342.286 3.345 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)c1 ZINC000244339578 266258184 /nfs/dbraw/zinc/25/81/84/266258184.db2.gz XSSWLQZWPRCSKK-UHFFFAOYSA-N -1 1 326.761 3.190 20 5 EGBDMM Cc1cc(N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000263560576 301343633 /nfs/dbraw/zinc/34/36/33/301343633.db2.gz REXGUTXLLFUOLU-KPZWWZAWSA-N -1 1 341.367 3.143 20 5 EGBDMM O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000514826098 312247530 /nfs/dbraw/zinc/24/75/30/312247530.db2.gz CHIWWBPPQOZDEA-UHFFFAOYSA-N -1 1 348.384 3.069 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])s1 ZINC000018231087 453648841 /nfs/dbraw/zinc/64/88/41/453648841.db2.gz YUNOYLMNBGDOCJ-UHFFFAOYSA-N -1 1 338.414 3.373 20 5 EGBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000091054482 454372628 /nfs/dbraw/zinc/37/26/28/454372628.db2.gz SVEZBCLYQODJEN-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM Cc1nnc([N-]C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])s1 ZINC000079685058 454463196 /nfs/dbraw/zinc/46/31/96/454463196.db2.gz QBXYTVPEOXRFBO-UHFFFAOYSA-N -1 1 332.263 3.026 20 5 EGBDMM Cc1cc(Br)c(F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000224418836 456067010 /nfs/dbraw/zinc/06/70/10/456067010.db2.gz SSVHJFUWONOCHW-UHFFFAOYSA-N -1 1 342.124 3.385 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000323287356 456654392 /nfs/dbraw/zinc/65/43/92/456654392.db2.gz KQNVQRRRDIRADE-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C ZINC000323870367 456657947 /nfs/dbraw/zinc/65/79/47/456657947.db2.gz SYXVTRDXUPAJOR-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OCC(F)(F)F ZINC000348486683 456710413 /nfs/dbraw/zinc/71/04/13/456710413.db2.gz ZYCUJZQSIZCVTL-UHFFFAOYSA-N -1 1 343.261 3.425 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1F ZINC000277517600 456850579 /nfs/dbraw/zinc/85/05/79/456850579.db2.gz SWVQSMRHLXJQJV-UHFFFAOYSA-N -1 1 338.364 3.444 20 5 EGBDMM CC[C@](C)(O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339113720 456946526 /nfs/dbraw/zinc/94/65/26/456946526.db2.gz KTTURXGKBUWQQB-IBGZPJMESA-N -1 1 344.411 3.464 20 5 EGBDMM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000432183277 458696556 /nfs/dbraw/zinc/69/65/56/458696556.db2.gz WVGRDXWOWZRKKW-UHFFFAOYSA-N -1 1 332.316 3.438 20 5 EGBDMM O=C([O-])c1ccccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000569128240 459401029 /nfs/dbraw/zinc/40/10/29/459401029.db2.gz CATURFYVLFCENE-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C2CCCCC2)C1 ZINC000598471888 459907383 /nfs/dbraw/zinc/90/73/83/459907383.db2.gz NWKJNYUTKMURKV-ZDUSSCGKSA-N -1 1 333.388 3.128 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1C ZINC000588906277 460001021 /nfs/dbraw/zinc/00/10/21/460001021.db2.gz VETYFBZMHWRINN-UHFFFAOYSA-N -1 1 348.371 3.068 20 5 EGBDMM CN(Cc1cccc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186965191 536477429 /nfs/dbraw/zinc/47/74/29/536477429.db2.gz KIVMBTRKEHZQMP-UHFFFAOYSA-N -1 1 337.335 3.121 20 5 EGBDMM O=[N+]([O-])c1cnc(SCc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1 ZINC000823651713 599339602 /nfs/dbraw/zinc/33/96/02/599339602.db2.gz OEGNPOFBJGDUHG-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000826055168 601655646 /nfs/dbraw/zinc/65/56/46/601655646.db2.gz WLYNANVYGFAUAB-BZNIZROVSA-N -1 1 332.331 3.286 20 5 EGBDMM C[C@@H](Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000820556395 606711517 /nfs/dbraw/zinc/71/15/17/606711517.db2.gz SVNONGJPGKHFCY-SSDOTTSWSA-N -1 1 334.386 3.085 20 5 EGBDMM C[C@@H](Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccs1 ZINC000820556395 606711518 /nfs/dbraw/zinc/71/15/18/606711518.db2.gz SVNONGJPGKHFCY-SSDOTTSWSA-N -1 1 334.386 3.085 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1Cl ZINC000055555695 1291785085 /nfs/dbraw/zinc/78/50/85/1291785085.db2.gz WANKWPUVBUIVKB-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1ccc([O-])c(Cl)c1 ZINC000111668312 1293109539 /nfs/dbraw/zinc/10/95/39/1293109539.db2.gz QMVYGLQWPUKEJU-UHFFFAOYSA-N -1 1 340.694 3.110 20 5 EGBDMM Cc1ccc(CN2Cc3ccccc3[C@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000872159801 1296779239 /nfs/dbraw/zinc/77/92/39/1296779239.db2.gz PDBZNROXIPRJSI-MRXNPFEDSA-N -1 1 326.352 3.087 20 5 EGBDMM O=C(OCc1ccc(OC(F)F)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048916 1303036285 /nfs/dbraw/zinc/03/62/85/1303036285.db2.gz UDRFIOWKTRWABU-UHFFFAOYSA-N -1 1 339.250 3.259 20 5 EGBDMM O=C(OCc1ncc(Cl)cc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075803 1304635434 /nfs/dbraw/zinc/63/54/34/1304635434.db2.gz PSKLFNHDNZJXSB-UHFFFAOYSA-N -1 1 343.122 3.359 20 5 EGBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1c([O-])cccc1Cl ZINC000801559986 1310966454 /nfs/dbraw/zinc/96/64/54/1310966454.db2.gz MQXSTNHSHUYFDA-UHFFFAOYSA-N -1 1 334.759 3.269 20 5 EGBDMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827595 1317907500 /nfs/dbraw/zinc/90/75/00/1317907500.db2.gz ASFIPGQZPNMLFD-QMMMGPOBSA-N -1 1 338.788 3.100 20 5 EGBDMM O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000922367689 1322511029 /nfs/dbraw/zinc/51/10/29/1322511029.db2.gz YVMVCPLNFNTAPV-UHFFFAOYSA-N -1 1 332.335 3.305 20 5 EGBDMM CCOC(=O)NC(=S)[N-]c1cc2cccnc2c2ncccc12 ZINC001195490868 1368444412 /nfs/dbraw/zinc/44/44/12/1368444412.db2.gz PAVQTWHGSFMSNN-UHFFFAOYSA-N -1 1 326.381 3.226 20 5 EGBDMM COc1nccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1Br ZINC001210392192 1372340295 /nfs/dbraw/zinc/34/02/95/1372340295.db2.gz AOVYCJPIDFUUBZ-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM CCOC(=O)c1nc([N-]c2ccc(F)cc2[N+](=O)[O-])sc1C ZINC001210949801 1372459543 /nfs/dbraw/zinc/45/95/43/1372459543.db2.gz OVNKZMVGIWBSHB-UHFFFAOYSA-N -1 1 325.321 3.419 20 5 EGBDMM COC(=O)CCS(=O)(=O)[N-]c1c2ccccc2cc2ccccc21 ZINC001188394281 1388300750 /nfs/dbraw/zinc/30/07/50/1388300750.db2.gz AJPXXLLSGAMCBG-UHFFFAOYSA-N -1 1 343.404 3.298 20 5 EGBDMM Cc1cc(COc2nc[n-]c(=O)c2[N+](=O)[O-])cc(C)c1OC(C)C ZINC001228139818 1375520299 /nfs/dbraw/zinc/52/02/99/1375520299.db2.gz BEIHGZFSQDLSPG-UHFFFAOYSA-N -1 1 333.344 3.073 20 5 EGBDMM C[C@@H]1COCC[C@@H]1Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229514482 1375850263 /nfs/dbraw/zinc/85/02/63/1375850263.db2.gz IRFGKYORKXPMAW-BZNIZROVSA-N -1 1 326.348 3.456 20 5 EGBDMM COc1ccc(Nc2ncc(Br)cc2[O-])cc1[N+](=O)[O-] ZINC001176359455 1385562938 /nfs/dbraw/zinc/56/29/38/1385562938.db2.gz HDGANDPOMTVZOJ-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000823648270 1428389401 /nfs/dbraw/zinc/38/94/01/1428389401.db2.gz TUUVUSILHHSCOY-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM C[C@H](Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000820556403 1424324247 /nfs/dbraw/zinc/32/42/47/1424324247.db2.gz SVNONGJPGKHFCY-ZETCQYMHSA-N -1 1 334.386 3.085 20 5 EGBDMM CC(C)CC(CC(C)C)Nc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000735761000 1425109463 /nfs/dbraw/zinc/10/94/63/1425109463.db2.gz JUKJFWNRFIMZSF-UHFFFAOYSA-N -1 1 333.396 3.043 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826498178 1425225077 /nfs/dbraw/zinc/22/50/77/1425225077.db2.gz KBVFYCMQUUJSDL-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1c(F)cccc1[N+](=O)[O-] ZINC000737221489 1426078470 /nfs/dbraw/zinc/07/84/70/1426078470.db2.gz LAEGKWCAVHGUHD-UHFFFAOYSA-N -1 1 343.318 3.110 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823634452 1426517858 /nfs/dbraw/zinc/51/78/58/1426517858.db2.gz FVRYAFFXLAEZBB-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM CCC[C@H](CC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821014729 1441790431 /nfs/dbraw/zinc/79/04/31/1441790431.db2.gz KIVJHAHPSWHEED-JTQLQIEISA-N -1 1 341.375 3.314 20 5 EGBDMM O=C([O-])CC[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000818329195 969188170 /nfs/dbraw/zinc/18/81/70/969188170.db2.gz QMJZPDHRQAJZPD-LBPRGKRZSA-N -1 1 326.780 3.468 20 5 EGBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001603430396 973177307 /nfs/dbraw/zinc/17/73/07/973177307.db2.gz RQVDRNMWYVYALX-SKDRFNHKSA-N -1 1 346.305 3.156 20 5 EGBDMM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593204847 994208113 /nfs/dbraw/zinc/20/81/13/994208113.db2.gz WIYNWVBSLKEVPG-CHWSQXEVSA-N -1 1 344.367 3.470 20 5 EGBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001594208611 998806933 /nfs/dbraw/zinc/80/69/33/998806933.db2.gz UXQAADYTPKDUSS-NXEZZACHSA-N -1 1 326.780 3.322 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000005260191 210427259 /nfs/dbraw/zinc/42/72/59/210427259.db2.gz CDTPXXCHFOZWNB-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(-c2ccco2)n[nH]1 ZINC000351784092 144306105 /nfs/dbraw/zinc/30/61/05/144306105.db2.gz UQMWJBGPZKMWCE-UHFFFAOYSA-N -1 1 348.702 3.189 20 5 EGBDMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190638604 153154097 /nfs/dbraw/zinc/15/40/97/153154097.db2.gz GXROOZYZMLIZNR-SNVBAGLBSA-N -1 1 341.323 3.241 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCCN(c2ccccc2)CC1 ZINC000338919290 163386349 /nfs/dbraw/zinc/38/63/49/163386349.db2.gz GFJVDRDMLHRKQH-UHFFFAOYSA-N -1 1 327.384 3.013 20 5 EGBDMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000366013451 168071390 /nfs/dbraw/zinc/07/13/90/168071390.db2.gz XLQAFBCOHCBEPS-GXTWGEPZSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000174996566 265084934 /nfs/dbraw/zinc/08/49/34/265084934.db2.gz KMVJMSVCENCQPD-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM CCc1nnc([N-]C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])s1 ZINC000294552323 308231584 /nfs/dbraw/zinc/23/15/84/308231584.db2.gz NQQFBVPWLHNWRV-UHFFFAOYSA-N -1 1 346.290 3.280 20 5 EGBDMM Cc1cc(OCc2nc(-c3ccc([O-])c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000436879737 309778873 /nfs/dbraw/zinc/77/88/73/309778873.db2.gz NOWNPPYJGZCTHD-UHFFFAOYSA-N -1 1 345.286 3.377 20 5 EGBDMM O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490153117 311134516 /nfs/dbraw/zinc/13/45/16/311134516.db2.gz RBHIOFRBTAIZFI-UKRRQHHQSA-N -1 1 341.367 3.152 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1O ZINC000491547416 311184283 /nfs/dbraw/zinc/18/42/83/311184283.db2.gz PJUFTLDUBDJQTP-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491719897 311188184 /nfs/dbraw/zinc/18/81/84/311188184.db2.gz KBNPKEUHCVFOPE-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)c1 ZINC000506585880 312051359 /nfs/dbraw/zinc/05/13/59/312051359.db2.gz VLDMHYGJUVUDHF-UHFFFAOYSA-N -1 1 340.788 3.233 20 5 EGBDMM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512759334 312194590 /nfs/dbraw/zinc/19/45/90/312194590.db2.gz BNPSELSFCMXPPZ-SNVBAGLBSA-N -1 1 334.825 3.351 20 5 EGBDMM COc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3C)no2)c([O-])c1 ZINC000545691236 314776220 /nfs/dbraw/zinc/77/62/20/314776220.db2.gz SCZROLKEHPVSTE-UHFFFAOYSA-N -1 1 327.296 3.334 20 5 EGBDMM COc1cc(Cc2noc(-c3ccc([O-])cc3F)n2)ccc1[N+](=O)[O-] ZINC000548269819 314987668 /nfs/dbraw/zinc/98/76/68/314987668.db2.gz BKHPPGOMWOAEGX-UHFFFAOYSA-N -1 1 345.286 3.089 20 5 EGBDMM CCN(Cc1cccc(Cl)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000135346628 454667347 /nfs/dbraw/zinc/66/73/47/454667347.db2.gz PFDJSHSZAWMZHM-UHFFFAOYSA-N -1 1 335.747 3.011 20 5 EGBDMM O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000264441422 455214743 /nfs/dbraw/zinc/21/47/43/455214743.db2.gz FVNZMPACGTVODH-UHFFFAOYSA-N -1 1 334.763 3.429 20 5 EGBDMM CC(C)(C)c1[nH]ncc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000345326046 456974362 /nfs/dbraw/zinc/97/43/62/456974362.db2.gz HTTFCFQBOQIZLA-UHFFFAOYSA-N -1 1 338.751 3.227 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])s1 ZINC000362543533 458258080 /nfs/dbraw/zinc/25/80/80/458258080.db2.gz VIOYIFQIQMXZLM-UHFFFAOYSA-N -1 1 338.414 3.373 20 5 EGBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436762785 458377563 /nfs/dbraw/zinc/37/75/63/458377563.db2.gz HGHQRRAWSSCYED-UHFFFAOYSA-N -1 1 340.257 3.249 20 5 EGBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000436894336 458401607 /nfs/dbraw/zinc/40/16/07/458401607.db2.gz QQQNMTDPSOTTNO-UHFFFAOYSA-N -1 1 338.722 3.065 20 5 EGBDMM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373661076 458567962 /nfs/dbraw/zinc/56/79/62/458567962.db2.gz SLOHFLXUKMFMRL-MJHDQNEOSA-N -1 1 347.758 3.025 20 5 EGBDMM Cc1nnc([N-]C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])s1 ZINC000439294761 458686911 /nfs/dbraw/zinc/68/69/11/458686911.db2.gz JQTIJTKCKIBESV-UHFFFAOYSA-N -1 1 341.352 3.069 20 5 EGBDMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518658313 458883530 /nfs/dbraw/zinc/88/35/30/458883530.db2.gz XDVRPDRTMKVCCG-KOLCDFICSA-N -1 1 332.809 3.105 20 5 EGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(C(=O)[O-])cn1 ZINC000568060278 459217743 /nfs/dbraw/zinc/21/77/43/459217743.db2.gz YZXAHECNMCUSMQ-UHFFFAOYSA-N -1 1 329.356 3.099 20 5 EGBDMM O=c1cc(C(F)F)nc(SCc2c(F)cccc2[N+](=O)[O-])[n-]1 ZINC000589261280 460064790 /nfs/dbraw/zinc/06/47/90/460064790.db2.gz MCKBVERXZFZYOC-UHFFFAOYSA-N -1 1 331.275 3.459 20 5 EGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000576406619 460136161 /nfs/dbraw/zinc/13/61/61/460136161.db2.gz QICVYLQLRBDNHE-ZDUSSCGKSA-N -1 1 344.367 3.251 20 5 EGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000615705459 460377941 /nfs/dbraw/zinc/37/79/41/460377941.db2.gz VAEWBWDNQWWNDF-UHFFFAOYSA-N -1 1 332.381 3.461 20 5 EGBDMM COc1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000613263954 460887320 /nfs/dbraw/zinc/88/73/20/460887320.db2.gz KDHZGTCJXUJJAK-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728298584 574736694 /nfs/dbraw/zinc/73/66/94/574736694.db2.gz WVTLNQNCZMOTJR-YPMHNXCESA-N -1 1 344.408 3.371 20 5 EGBDMM C[C@H]1CCCC[C@H]1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734003745 575421303 /nfs/dbraw/zinc/42/13/03/575421303.db2.gz SYIAPVGUHSRMPL-RYUDHWBXSA-N -1 1 344.408 3.229 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832481361 601652924 /nfs/dbraw/zinc/65/29/24/601652924.db2.gz CPEOXHYMLLDJON-SJCJKPOMSA-N -1 1 344.367 3.155 20 5 EGBDMM CC(C)c1nc([C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833513069 605006946 /nfs/dbraw/zinc/00/69/46/605006946.db2.gz ZRTPSYISDPVLNC-ONRRBMGISA-N -1 1 345.359 3.107 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc([C@@H]2CCCO2)n1 ZINC000165076330 1294355498 /nfs/dbraw/zinc/35/54/98/1294355498.db2.gz JEUIQVDZMFSTKF-LBPRGKRZSA-N -1 1 337.332 3.294 20 5 EGBDMM CC(C)c1nsc([N-]C(=O)c2cccc([N+](=O)[O-])c2Cl)n1 ZINC000874693595 1298039052 /nfs/dbraw/zinc/03/90/52/1298039052.db2.gz JRXWAHAZRDOPHM-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC000790062554 1306255865 /nfs/dbraw/zinc/25/58/65/1306255865.db2.gz JGELQVSSOYECGJ-UHFFFAOYSA-N -1 1 328.111 3.255 20 5 EGBDMM O=C([N-]C1(C(F)F)CCCC1)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000809369175 1317804952 /nfs/dbraw/zinc/80/49/52/1317804952.db2.gz ZTTGAKGEDVOFDP-UHFFFAOYSA-N -1 1 334.269 3.381 20 5 EGBDMM CCCCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000917898187 1319886643 /nfs/dbraw/zinc/88/66/43/1319886643.db2.gz XLTHUARJCDMCEQ-UHFFFAOYSA-N -1 1 331.328 3.132 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CCC(=O)[O-])C1 ZINC000842471344 1321392681 /nfs/dbraw/zinc/39/26/81/1321392681.db2.gz GIHZWZBSVPJJKW-ZDUSSCGKSA-N -1 1 336.388 3.070 20 5 EGBDMM CCCCC[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920315606 1322162825 /nfs/dbraw/zinc/16/28/25/1322162825.db2.gz XQHICTXZABENHC-SNVBAGLBSA-N -1 1 334.825 3.495 20 5 EGBDMM Cc1ccc([O-])c(C(=O)Nc2cc3cccnc3c3ncccc23)n1 ZINC001195327208 1368421627 /nfs/dbraw/zinc/42/16/27/1368421627.db2.gz XULCJXYINKPKHR-UHFFFAOYSA-N -1 1 330.347 3.444 20 5 EGBDMM COC(=O)c1sc2ccncc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210395021 1372341540 /nfs/dbraw/zinc/34/15/40/1372341540.db2.gz NLHGBKDSEHSSPV-UHFFFAOYSA-N -1 1 345.336 3.440 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cc(Br)c3nccn3c2)ccc1[O-] ZINC001210394553 1372341725 /nfs/dbraw/zinc/34/17/25/1372341725.db2.gz YIWSRZPHHBJTRX-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM CC(C)Oc1cc(F)c(COc2[n-]ccc(=O)c2[N+](=O)[O-])c(F)c1 ZINC001225664741 1375140637 /nfs/dbraw/zinc/14/06/37/1375140637.db2.gz SLNHBUOQYKLKFQ-UHFFFAOYSA-N -1 1 340.282 3.340 20 5 EGBDMM CCC[C@H](C)[C@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226322416 1375239267 /nfs/dbraw/zinc/23/92/67/1375239267.db2.gz CYDAXBWQBGKDRK-JQWIXIFHSA-N -1 1 340.376 3.466 20 5 EGBDMM Cc1cc([O-])c(O[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC001229750179 1375886403 /nfs/dbraw/zinc/88/64/03/1375886403.db2.gz KZHZBHWUKMDLKV-ZDUSSCGKSA-N -1 1 330.296 3.063 20 5 EGBDMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001231231235 1376215773 /nfs/dbraw/zinc/21/57/73/1376215773.db2.gz SRRLTCQHTJFAKN-KRWDZBQOSA-N -1 1 327.336 3.057 20 5 EGBDMM O=[N+]([O-])c1cnc(Cl)nc1[N-][C@@H](c1cccnc1)C(F)(F)F ZINC001156153015 1380531575 /nfs/dbraw/zinc/53/15/75/1380531575.db2.gz BELKAXZZDYYPLC-QMMMGPOBSA-N -1 1 333.657 3.149 20 5 EGBDMM C[C@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000820548664 1424214048 /nfs/dbraw/zinc/21/40/48/1424214048.db2.gz DYISCPYIZYXHNZ-VIFPVBQESA-N -1 1 328.357 3.023 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)c2ccccc21 ZINC000823645123 1425251222 /nfs/dbraw/zinc/25/12/22/1425251222.db2.gz OHURKLRFBOBGDV-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ccc(-c2nnn[n-]2)cn1 ZINC000826293483 1426561752 /nfs/dbraw/zinc/56/17/52/1426561752.db2.gz QRSXDEHXVIQJMD-SNVBAGLBSA-N -1 1 342.384 3.332 20 5 EGBDMM Cc1ccc2c(c1)[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)CC2 ZINC000737371810 1429949855 /nfs/dbraw/zinc/94/98/55/1429949855.db2.gz MSLXNZBNPUZLMM-HNNXBMFYSA-N -1 1 336.355 3.183 20 5 EGBDMM O=[N+]([O-])c1ccc(CCSc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823634488 1446641009 /nfs/dbraw/zinc/64/10/09/1446641009.db2.gz HUXWWRKQGVJEQE-UHFFFAOYSA-N -1 1 327.369 3.110 20 5 EGBDMM C[C@@](NCc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001331948788 957740403 /nfs/dbraw/zinc/74/04/03/957740403.db2.gz SIIJDADMTFJPMW-INIZCTEOSA-N -1 1 334.759 3.338 20 5 EGBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594169018 998651698 /nfs/dbraw/zinc/65/16/98/998651698.db2.gz YZEFQZRLDJWUDK-YGRLFVJLSA-N -1 1 347.396 3.013 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C2CC2)c1 ZINC000338455845 163230234 /nfs/dbraw/zinc/23/02/34/163230234.db2.gz YLVHDYJZXFELHN-UHFFFAOYSA-N -1 1 331.328 3.420 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000195450965 266184001 /nfs/dbraw/zinc/18/40/01/266184001.db2.gz NKDLRHKHTLNBDO-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM CCc1noc(-c2ccc(C)c(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000430746222 309616629 /nfs/dbraw/zinc/61/66/29/309616629.db2.gz GYYMULVSKSJUQU-UHFFFAOYSA-N -1 1 341.327 3.096 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1 ZINC000007323253 453059159 /nfs/dbraw/zinc/05/91/59/453059159.db2.gz GCAHXGUPHJGQDR-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000007402476 453071813 /nfs/dbraw/zinc/07/18/13/453071813.db2.gz QNLWIYOVHPXKCC-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000029043878 453826049 /nfs/dbraw/zinc/82/60/49/453826049.db2.gz SASJIHFWQXQDQW-UHFFFAOYSA-N -1 1 336.369 3.184 20 5 EGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000091504318 454442520 /nfs/dbraw/zinc/44/25/20/454442520.db2.gz VBOZHKITSYZJKX-UHFFFAOYSA-N -1 1 326.352 3.400 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000093704243 454729964 /nfs/dbraw/zinc/72/99/64/454729964.db2.gz CTTKONIAMAZDEZ-MRXNPFEDSA-N -1 1 327.384 3.377 20 5 EGBDMM C[C@@H]1CCc2c(sc3[n-]c(-c4ccc([N+](=O)[O-])o4)nc(=O)c23)C1 ZINC000140711069 454823711 /nfs/dbraw/zinc/82/37/11/454823711.db2.gz MZFPOGKHZCDSFQ-SSDOTTSWSA-N -1 1 331.353 3.278 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)ccc1F ZINC000191565316 455498258 /nfs/dbraw/zinc/49/82/58/455498258.db2.gz USTSASLBDPPJEI-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1OC1CCOCC1 ZINC000265727487 455369298 /nfs/dbraw/zinc/36/92/98/455369298.db2.gz PLUGEMMTNIGBFI-UHFFFAOYSA-N -1 1 345.355 3.041 20 5 EGBDMM O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343430915 456615595 /nfs/dbraw/zinc/61/55/95/456615595.db2.gz GENNIJVFZRHOFX-UHFFFAOYSA-N -1 1 346.343 3.362 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 ZINC000356601118 457078547 /nfs/dbraw/zinc/07/85/47/457078547.db2.gz YVYGCEOMXGJXPI-MRVPVSSYSA-N -1 1 345.286 3.072 20 5 EGBDMM COc1ccc(NC(=O)c2cn[nH]c2-c2ccccc2)cc1[N+](=O)[O-] ZINC000360736712 457331313 /nfs/dbraw/zinc/33/13/13/457331313.db2.gz HVQVFAAOMQYGNG-UHFFFAOYSA-N -1 1 338.323 3.246 20 5 EGBDMM CCC[C@@H](CCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445001498 458004385 /nfs/dbraw/zinc/00/43/85/458004385.db2.gz URZHHXSUIPVGPG-HNNXBMFYSA-N -1 1 343.383 3.227 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000594734232 459145592 /nfs/dbraw/zinc/14/55/92/459145592.db2.gz UDBCFMYWLCQYKC-JYJNAYRXSA-N -1 1 348.399 3.069 20 5 EGBDMM CC(C)(C)OC(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000610306059 460114725 /nfs/dbraw/zinc/11/47/25/460114725.db2.gz OUJFZBJMBPWHHU-UHFFFAOYSA-N -1 1 345.355 3.059 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000731781324 575206858 /nfs/dbraw/zinc/20/68/58/575206858.db2.gz VSIASGZHFHTYBG-UHFFFAOYSA-N -1 1 349.412 3.024 20 5 EGBDMM CC[C@@](NCc1cc([N+](=O)[O-])ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915011 576059332 /nfs/dbraw/zinc/05/93/32/576059332.db2.gz AXORLIXFJXUHMN-SFHVURJKSA-N -1 1 344.367 3.083 20 5 EGBDMM O=[N+]([O-])c1ccc(N(Cc2cccs2)C2CC2)cc1-c1nnn[n-]1 ZINC000826498141 607451018 /nfs/dbraw/zinc/45/10/18/607451018.db2.gz ISDBLDRHOMKVIF-UHFFFAOYSA-N -1 1 342.384 3.005 20 5 EGBDMM O=[N+]([O-])c1ccc(N(Cc2cccs2)C2CC2)cc1-c1nn[n-]n1 ZINC000826498141 607451020 /nfs/dbraw/zinc/45/10/20/607451020.db2.gz ISDBLDRHOMKVIF-UHFFFAOYSA-N -1 1 342.384 3.005 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1[N+](=O)[O-] ZINC000829609450 1292591507 /nfs/dbraw/zinc/59/15/07/1292591507.db2.gz GXZDBXLFMYQYSZ-UHFFFAOYSA-N -1 1 348.380 3.245 20 5 EGBDMM CCC(C)(C)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000829645277 1292595293 /nfs/dbraw/zinc/59/52/93/1292595293.db2.gz GRBRFQVICWHVTI-UHFFFAOYSA-N -1 1 341.216 3.369 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1ccoc1Br ZINC000193311765 1295850115 /nfs/dbraw/zinc/85/01/15/1295850115.db2.gz CHWVPMHITHNMJH-UHFFFAOYSA-N -1 1 347.071 3.481 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc([N+](=O)[O-])c1 ZINC000193387080 1295860406 /nfs/dbraw/zinc/86/04/06/1295860406.db2.gz AYIZGNVFIVCFOI-UHFFFAOYSA-N -1 1 329.240 3.095 20 5 EGBDMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000757362721 1300667123 /nfs/dbraw/zinc/66/71/23/1300667123.db2.gz BXTDIPPIULWJJI-GXSJLCMTSA-N -1 1 332.809 3.105 20 5 EGBDMM O=C(OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([O-])cc1F ZINC000784517159 1305254049 /nfs/dbraw/zinc/25/40/49/1305254049.db2.gz LXYSYYBLANVFCK-UHFFFAOYSA-N -1 1 325.679 3.450 20 5 EGBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000821483375 1320016353 /nfs/dbraw/zinc/01/63/53/1320016353.db2.gz PORUMOXBMXAQFG-UHFFFAOYSA-N -1 1 338.364 3.345 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccc(OCC3CCOCC3)nc2)ccc1[O-] ZINC001210393118 1372341647 /nfs/dbraw/zinc/34/16/47/1372341647.db2.gz OXQLLGYXRVRLTR-UHFFFAOYSA-N -1 1 345.355 3.244 20 5 EGBDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(C)cc2[N+](=O)[O-])c1 ZINC001214171822 1373019286 /nfs/dbraw/zinc/01/92/86/1373019286.db2.gz KKEUEQHOHVFICC-UHFFFAOYSA-N -1 1 336.369 3.146 20 5 EGBDMM CO[C@H]1CCCC[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228858110 1375695893 /nfs/dbraw/zinc/69/58/93/1375695893.db2.gz CPOVGCXMKDZYIM-IUCAKERBSA-N -1 1 336.266 3.051 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CCn4ccnc43)ccc12 ZINC001229515751 1375850281 /nfs/dbraw/zinc/85/02/81/1375850281.db2.gz FLYHPGMFUATSTD-HNNXBMFYSA-N -1 1 334.331 3.372 20 5 EGBDMM Cc1nc(Cl)c([N+](=O)[O-])c([N-][C@@H](c2cccnc2)C(F)(F)F)n1 ZINC001156154212 1380532211 /nfs/dbraw/zinc/53/22/11/1380532211.db2.gz DVYLPTWCSMQMBH-VIFPVBQESA-N -1 1 347.684 3.457 20 5 EGBDMM COC(=O)c1n[nH]cc1[N-]c1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001158632993 1381332028 /nfs/dbraw/zinc/33/20/28/1381332028.db2.gz JMGHBDIWWXTKCL-UHFFFAOYSA-N -1 1 347.718 3.050 20 5 EGBDMM O=[N+]([O-])c1cc(N(Cc2cccs2)C2CC2)ccc1-c1nnn[n-]1 ZINC000823635496 1428417223 /nfs/dbraw/zinc/41/72/23/1428417223.db2.gz YDDXJKOCXWDAAD-UHFFFAOYSA-N -1 1 342.384 3.005 20 5 EGBDMM Cc1ccc([C@@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187565125 236248175 /nfs/dbraw/zinc/24/81/75/236248175.db2.gz IBYVKUZXBIJELE-ZDUSSCGKSA-N -1 1 345.355 3.354 20 5 EGBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(F)(F)F)c1 ZINC000351818815 144310490 /nfs/dbraw/zinc/31/04/90/144310490.db2.gz IYFZONOCLCAPGL-UHFFFAOYSA-N -1 1 329.234 3.203 20 5 EGBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc(F)cc1[N+](=O)[O-] ZINC000341487338 155320732 /nfs/dbraw/zinc/32/07/32/155320732.db2.gz OPYBRNZINZVBNN-UHFFFAOYSA-N -1 1 334.288 3.098 20 5 EGBDMM COc1c(C)cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C ZINC000192709858 153253861 /nfs/dbraw/zinc/25/38/61/153253861.db2.gz VIBJUPRPAMTYAZ-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274881267 267300676 /nfs/dbraw/zinc/30/06/76/267300676.db2.gz CUDZNNNGOMEPJB-LALPHHSUSA-N -1 1 341.367 3.102 20 5 EGBDMM CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193723961 280161383 /nfs/dbraw/zinc/16/13/83/280161383.db2.gz ZJXCLQZNQANCBN-HNNXBMFYSA-N -1 1 343.383 3.179 20 5 EGBDMM CC1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000342006992 281759048 /nfs/dbraw/zinc/75/90/48/281759048.db2.gz GKXYLAIKULOVIN-UHFFFAOYSA-N -1 1 332.809 3.105 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000152656134 307757032 /nfs/dbraw/zinc/75/70/32/307757032.db2.gz GAFMYPRMLAFHFH-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427262877 309526040 /nfs/dbraw/zinc/52/60/40/309526040.db2.gz NLHNLOVBKQYBPC-LLVKDONJSA-N -1 1 332.809 3.105 20 5 EGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000543858661 314660289 /nfs/dbraw/zinc/66/02/89/314660289.db2.gz QAIBTCXEMCBASK-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000119606779 454207257 /nfs/dbraw/zinc/20/72/57/454207257.db2.gz TWQYQHQIRZDMEX-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000135616936 454694733 /nfs/dbraw/zinc/69/47/33/454694733.db2.gz QRNLXSHNFQEOGV-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Cl ZINC000176726741 454776699 /nfs/dbraw/zinc/77/66/99/454776699.db2.gz ABFGYKUZOPRJFP-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cc(F)ccc1C ZINC000165134983 454895439 /nfs/dbraw/zinc/89/54/39/454895439.db2.gz YLXVBQUDWDDGJR-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM COC(=O)c1scc(C)c1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000128665796 455075567 /nfs/dbraw/zinc/07/55/67/455075567.db2.gz UTGXCIKFUHTMRO-UHFFFAOYSA-N -1 1 326.355 3.065 20 5 EGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000159862995 455410101 /nfs/dbraw/zinc/41/01/01/455410101.db2.gz LJFJPGHCKZSJHW-SNVBAGLBSA-N -1 1 338.389 3.022 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000191798786 455521099 /nfs/dbraw/zinc/52/10/99/455521099.db2.gz ZWXBXQWGQLQIRC-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1c1ccccc1 ZINC000277945706 455717379 /nfs/dbraw/zinc/71/73/79/455717379.db2.gz CFEZKSVOAYQFCS-AWEZNQCLSA-N -1 1 327.340 3.063 20 5 EGBDMM O=[N+]([O-])c1cnc([N-]c2cc3n(n2)CCCC3)c(Br)c1 ZINC000286367320 456034545 /nfs/dbraw/zinc/03/45/45/456034545.db2.gz LFCFFAYSFLMSDO-UHFFFAOYSA-N -1 1 338.165 3.029 20 5 EGBDMM CCCCOc1ccc(OC)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000298940175 456572290 /nfs/dbraw/zinc/57/22/90/456572290.db2.gz QBANMACEAITMGH-UHFFFAOYSA-N -1 1 333.344 3.363 20 5 EGBDMM O=C(Nc1ccc(Cl)cc1OC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000358122442 457799311 /nfs/dbraw/zinc/79/93/11/457799311.db2.gz UGGYJNHLXYWBQB-UHFFFAOYSA-N -1 1 331.662 3.430 20 5 EGBDMM O=C([O-])[C@@H](NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(F)c1 ZINC000426761784 457894795 /nfs/dbraw/zinc/89/47/95/457894795.db2.gz DFDSNNRLEJWYOL-AWEZNQCLSA-N -1 1 338.722 3.303 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1CCC1CCCC1 ZINC000444985818 458003494 /nfs/dbraw/zinc/00/34/94/458003494.db2.gz LVGQMAOZSIMDCN-AWEZNQCLSA-N -1 1 333.388 3.270 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccsc2Cl)c([N+](=O)[O-])c1 ZINC000437661128 458480290 /nfs/dbraw/zinc/48/02/90/458480290.db2.gz MVJOKGIBPRNFBB-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM O=C([N-]c1c(F)cccc1Br)c1ccc([N+](=O)[O-])o1 ZINC000438444792 458579157 /nfs/dbraw/zinc/57/91/57/458579157.db2.gz JWKMQISCRUEZIO-UHFFFAOYSA-N -1 1 329.081 3.342 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000594734233 459145297 /nfs/dbraw/zinc/14/52/97/459145297.db2.gz UDBCFMYWLCQYKC-OWCLPIDISA-N -1 1 348.399 3.069 20 5 EGBDMM CC(C)CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000595370090 459285751 /nfs/dbraw/zinc/28/57/51/459285751.db2.gz UJQJFROMCBXLQV-UHFFFAOYSA-N -1 1 332.809 3.105 20 5 EGBDMM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000593736364 459967376 /nfs/dbraw/zinc/96/73/76/459967376.db2.gz IVJZFLVCRDKSHD-OAHLLOKOSA-N -1 1 336.388 3.074 20 5 EGBDMM Cc1cccc(C)c1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597882480 460093295 /nfs/dbraw/zinc/09/32/95/460093295.db2.gz BXPNVRNQMJXQDR-CQSZACIVSA-N -1 1 341.367 3.290 20 5 EGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413709 460360262 /nfs/dbraw/zinc/36/02/62/460360262.db2.gz NYMJCEHSOMJTHZ-UHFFFAOYSA-N -1 1 332.381 3.461 20 5 EGBDMM O=C([O-])[C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000602065741 461002670 /nfs/dbraw/zinc/00/26/70/461002670.db2.gz LHKQBLARFAYKTQ-LBPRGKRZSA-N -1 1 347.396 3.015 20 5 EGBDMM CN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825981907 607448465 /nfs/dbraw/zinc/44/84/65/607448465.db2.gz ZVQIMXOZLXUVNR-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM CN(Cc1cccc(Cl)c1)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825981907 607448467 /nfs/dbraw/zinc/44/84/67/607448467.db2.gz ZVQIMXOZLXUVNR-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000826055170 601655755 /nfs/dbraw/zinc/65/57/55/601655755.db2.gz WLYNANVYGFAUAB-ZBEGNZNMSA-N -1 1 332.331 3.286 20 5 EGBDMM CCC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)CC1 ZINC000831871663 1292931699 /nfs/dbraw/zinc/93/16/99/1292931699.db2.gz AITOTHYSUZXMPN-UHFFFAOYSA-N -1 1 339.200 3.123 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1C ZINC000154231876 1294047640 /nfs/dbraw/zinc/04/76/40/1294047640.db2.gz HDPWSMOKNXUXQR-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc(C)c(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769045118 1303036680 /nfs/dbraw/zinc/03/66/80/1303036680.db2.gz AKQWAFZMWYXACJ-UHFFFAOYSA-N -1 1 343.335 3.265 20 5 EGBDMM O=C(Nc1ccc(F)cc1[O-])C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000778403242 1304446612 /nfs/dbraw/zinc/44/66/12/1304446612.db2.gz JOLGHGAEFFVXAQ-UHFFFAOYSA-N -1 1 326.230 3.170 20 5 EGBDMM CSc1ccc(OCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000805503499 1317375805 /nfs/dbraw/zinc/37/58/05/1317375805.db2.gz YEQMDDDZUOJJIV-UHFFFAOYSA-N -1 1 349.364 3.258 20 5 EGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)cc1Cl ZINC000809811850 1317905736 /nfs/dbraw/zinc/90/57/36/1317905736.db2.gz SADHKLOTFARFKZ-SECBINFHSA-N -1 1 348.783 3.022 20 5 EGBDMM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809835295 1317907972 /nfs/dbraw/zinc/90/79/72/1317907972.db2.gz CDPBWPMRQWMZIS-UHFFFAOYSA-N -1 1 336.772 3.022 20 5 EGBDMM Cc1nc(C(C)C)ccc1COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000815218798 1318931686 /nfs/dbraw/zinc/93/16/86/1318931686.db2.gz GDWFDMDJZBWXTJ-UHFFFAOYSA-N -1 1 330.340 3.484 20 5 EGBDMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000816426852 1319151571 /nfs/dbraw/zinc/15/15/71/1319151571.db2.gz ZLMDDXAPNJTCNA-UHFFFAOYSA-N -1 1 335.747 3.265 20 5 EGBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000843772350 1321546233 /nfs/dbraw/zinc/54/62/33/1321546233.db2.gz USFWEFGJIONZJH-UHFFFAOYSA-N -1 1 338.364 3.444 20 5 EGBDMM CC(C)(C)OC(=O)Nc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ncn1 ZINC001210394269 1372341742 /nfs/dbraw/zinc/34/17/42/1372341742.db2.gz SXJGFXVYWFELGX-UHFFFAOYSA-N -1 1 347.331 3.181 20 5 EGBDMM COc1ccc(OC(C)C)c(COc2[n-]ccc(=O)c2[N+](=O)[O-])c1 ZINC001225667121 1375140666 /nfs/dbraw/zinc/14/06/66/1375140666.db2.gz PTZQAZATMOXHST-UHFFFAOYSA-N -1 1 334.328 3.070 20 5 EGBDMM C[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1ncc(C(F)(F)F)cc1F ZINC001225664520 1375140685 /nfs/dbraw/zinc/14/06/85/1375140685.db2.gz PSTQHKCDYRHGDM-ZCFIWIBFSA-N -1 1 347.224 3.388 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@@H](C)CC[C@@H]1C ZINC001226311259 1375237074 /nfs/dbraw/zinc/23/70/74/1375237074.db2.gz UYIDHIYQHQDIID-JBLDHEPKSA-N -1 1 338.360 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)CCC(C)C ZINC001226310719 1375237611 /nfs/dbraw/zinc/23/76/11/1375237611.db2.gz QDWUFPBVVGPOAD-JTQLQIEISA-N -1 1 326.349 3.076 20 5 EGBDMM O=c1[n-]cnc(OC2c3ccccc3CCc3ccccc32)c1[N+](=O)[O-] ZINC001228139894 1375520121 /nfs/dbraw/zinc/52/01/21/1375520121.db2.gz CCQHDWMQCUHPJF-UHFFFAOYSA-N -1 1 349.346 3.357 20 5 EGBDMM CCC(=O)c1c(O)cc([O-])cc1O[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001228560930 1375598110 /nfs/dbraw/zinc/59/81/10/1375598110.db2.gz WBTQZIVKHKZOJW-AWEZNQCLSA-N -1 1 343.335 3.145 20 5 EGBDMM COC1=CC[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228860012 1375697036 /nfs/dbraw/zinc/69/70/36/1375697036.db2.gz QOECHTJUQZQVIR-QMMMGPOBSA-N -1 1 334.250 3.176 20 5 EGBDMM CC[C@H](COc1cc2c3ccc([O-])cc3oc(=O)c2cc1O)OC ZINC001229806108 1375896884 /nfs/dbraw/zinc/89/68/84/1375896884.db2.gz SNIJGTWITCPCOG-LLVKDONJSA-N -1 1 330.336 3.161 20 5 EGBDMM O=[N+]([O-])c1ccc(CNc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826498303 1429237967 /nfs/dbraw/zinc/23/79/67/1429237967.db2.gz OVZCFIIJVCWBFV-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM CCS[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821457711 1427179582 /nfs/dbraw/zinc/17/95/82/1427179582.db2.gz ZRZWNZZTHSGVLZ-JSGCOSHPSA-N -1 1 348.432 3.251 20 5 EGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc2ccccc2c1 ZINC000823629856 1443476859 /nfs/dbraw/zinc/47/68/59/1443476859.db2.gz JWHXRTABYQEGCI-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM CC(C)C[C@@H](C)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000824228037 1446736126 /nfs/dbraw/zinc/73/61/26/1446736126.db2.gz DKJLKAJEIPMRQA-SNVBAGLBSA-N -1 1 341.375 3.170 20 5 EGBDMM O=[N+]([O-])c1ccccc1CCNc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823648607 1447231582 /nfs/dbraw/zinc/23/15/82/1447231582.db2.gz YNYLVWFSCDBLLD-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593292392 994676320 /nfs/dbraw/zinc/67/63/20/994676320.db2.gz KOGOPCXUMTVJDC-NSHDSACASA-N -1 1 348.330 3.048 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CN[C@@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599461805 998285887 /nfs/dbraw/zinc/28/58/87/998285887.db2.gz AVCUKLYVGRAMFN-QGZVFWFLSA-N -1 1 344.367 3.136 20 5 EGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000055555312 214329282 /nfs/dbraw/zinc/32/92/82/214329282.db2.gz FXPMWFQKMROFNT-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1[N+](=O)[O-] ZINC000006213870 210600263 /nfs/dbraw/zinc/60/02/63/210600263.db2.gz WXCRYCUGFDJKCL-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1[N+](=O)[O-] ZINC000005120878 210393724 /nfs/dbraw/zinc/39/37/24/210393724.db2.gz XLAQYAFIVIDBPQ-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263439685 141049371 /nfs/dbraw/zinc/04/93/71/141049371.db2.gz VXWAFQRRENWLEI-HNNXBMFYSA-N -1 1 330.340 3.294 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(C)c1 ZINC000172183736 144016875 /nfs/dbraw/zinc/01/68/75/144016875.db2.gz YLBBSGUMSBRHTC-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM C[C@@H](c1cccc(Cl)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188153431 144169318 /nfs/dbraw/zinc/16/93/18/144169318.db2.gz VHQUFIFJQOBJGW-VIFPVBQESA-N -1 1 335.747 3.182 20 5 EGBDMM Cc1c2ccccc2oc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302926719 154031509 /nfs/dbraw/zinc/03/15/09/154031509.db2.gz AVHXYPBWBVQQHV-SNVBAGLBSA-N -1 1 341.323 3.241 20 5 EGBDMM CC[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000355585005 166251132 /nfs/dbraw/zinc/25/11/32/166251132.db2.gz LEEYFPKBPOTARS-OAHLLOKOSA-N -1 1 343.383 3.150 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(Br)cs3)no2)[n-]1 ZINC000356033863 166381553 /nfs/dbraw/zinc/38/15/53/166381553.db2.gz IVUOTPMPNYMPIQ-UHFFFAOYSA-N -1 1 341.146 3.464 20 5 EGBDMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000279120296 275305528 /nfs/dbraw/zinc/30/55/28/275305528.db2.gz XDWVUZQUCFIDGM-DOMZBBRYSA-N -1 1 341.367 3.022 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000189031195 280227678 /nfs/dbraw/zinc/22/76/78/280227678.db2.gz LYSOTZSGTBKBAO-ZDUSSCGKSA-N -1 1 347.758 3.326 20 5 EGBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000079268809 307424564 /nfs/dbraw/zinc/42/45/64/307424564.db2.gz LWRZYCUZPUXIDF-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000135391151 307701988 /nfs/dbraw/zinc/70/19/88/307701988.db2.gz BEZVMXDDJAUWPB-UHFFFAOYSA-N -1 1 348.380 3.297 20 5 EGBDMM O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452393284 310225542 /nfs/dbraw/zinc/22/55/42/310225542.db2.gz BATRZNYEBSYILO-ZFWWWQNUSA-N -1 1 341.367 3.009 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)cc1F ZINC000507604396 312079396 /nfs/dbraw/zinc/07/93/96/312079396.db2.gz LABSPDUKYYTDAG-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CCc1nc(SCc2nc3cc([N+](=O)[O-])ccc3o2)[n-]c(=O)c1C ZINC000516088735 312308037 /nfs/dbraw/zinc/30/80/37/312308037.db2.gz KGNITTWNOZGHNT-UHFFFAOYSA-N -1 1 346.368 3.395 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)cc1[N+](=O)[O-] ZINC000172515536 323284686 /nfs/dbraw/zinc/28/46/86/323284686.db2.gz QQNNONNLKCBABK-UHFFFAOYSA-N -1 1 345.380 3.196 20 5 EGBDMM CCCCCc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000044285341 454094614 /nfs/dbraw/zinc/09/46/14/454094614.db2.gz UABLIJVEXRYNSE-UHFFFAOYSA-N -1 1 326.403 3.493 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000277411051 456815836 /nfs/dbraw/zinc/81/58/36/456815836.db2.gz HVBZTEMLDHAXST-UHFFFAOYSA-N -1 1 336.373 3.005 20 5 EGBDMM CC(C)[C@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000344982148 456885861 /nfs/dbraw/zinc/88/58/61/456885861.db2.gz OYXCQTRBIAFODH-CABCVRRESA-N -1 1 341.367 3.310 20 5 EGBDMM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCCC1 ZINC000357405665 457500337 /nfs/dbraw/zinc/50/03/37/457500337.db2.gz OUZZDPCINHNVOA-JTQLQIEISA-N -1 1 341.795 3.157 20 5 EGBDMM C[C@]1(C(=O)[O-])CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000567358913 459093237 /nfs/dbraw/zinc/09/32/37/459093237.db2.gz AKGUAZYYNGSRBO-AWEZNQCLSA-N -1 1 346.305 3.300 20 5 EGBDMM C[C@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000567358913 459093244 /nfs/dbraw/zinc/09/32/44/459093244.db2.gz AKGUAZYYNGSRBO-AWEZNQCLSA-N -1 1 346.305 3.300 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC(CCC(=O)[O-])CC1 ZINC000593735963 459968018 /nfs/dbraw/zinc/96/80/18/459968018.db2.gz AZGRUODZCXJIPW-UHFFFAOYSA-N -1 1 336.388 3.070 20 5 EGBDMM O=C(Nc1ccc(Br)cc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000603626453 460328875 /nfs/dbraw/zinc/32/88/75/460328875.db2.gz ANNQPCQLHCVYQB-UHFFFAOYSA-N -1 1 337.129 3.315 20 5 EGBDMM CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000728936742 574788493 /nfs/dbraw/zinc/78/84/93/574788493.db2.gz RPCBRTIAEIXUDH-NEPJUHHUSA-N -1 1 344.408 3.227 20 5 EGBDMM CCS[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825669404 607842752 /nfs/dbraw/zinc/84/27/52/607842752.db2.gz XJOAMXHYZVGBSQ-GXTWGEPZSA-N -1 1 348.432 3.251 20 5 EGBDMM CCS[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825669404 607842753 /nfs/dbraw/zinc/84/27/53/607842753.db2.gz XJOAMXHYZVGBSQ-GXTWGEPZSA-N -1 1 348.432 3.251 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826498038 607866626 /nfs/dbraw/zinc/86/66/26/607866626.db2.gz FCHUNMLATIMNSR-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826498038 607866627 /nfs/dbraw/zinc/86/66/27/607866627.db2.gz FCHUNMLATIMNSR-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1occc1Br ZINC000176548025 1294614154 /nfs/dbraw/zinc/61/41/54/1294614154.db2.gz IGMLGAGQAGKXFI-UHFFFAOYSA-N -1 1 329.081 3.342 20 5 EGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1=CCCCCC1 ZINC000766570447 1302478589 /nfs/dbraw/zinc/47/85/89/1302478589.db2.gz YNAVVGJXLZPXHP-UHFFFAOYSA-N -1 1 342.392 3.293 20 5 EGBDMM CC(C)c1ccc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769048939 1303036554 /nfs/dbraw/zinc/03/65/54/1303036554.db2.gz NUYZWJRPWODGNP-UHFFFAOYSA-N -1 1 343.335 3.464 20 5 EGBDMM COc1cc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1SC ZINC000780070244 1304635921 /nfs/dbraw/zinc/63/59/21/1304635921.db2.gz VUFPKWKFCZJFQV-UHFFFAOYSA-N -1 1 349.364 3.388 20 5 EGBDMM CCC(CC)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791419048 1308989018 /nfs/dbraw/zinc/98/90/18/1308989018.db2.gz UDUMCWNRJPHFCP-UHFFFAOYSA-N -1 1 341.216 3.369 20 5 EGBDMM CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815026494 1318869298 /nfs/dbraw/zinc/86/92/98/1318869298.db2.gz PREZPGRPVFQXBR-QMMMGPOBSA-N -1 1 338.788 3.100 20 5 EGBDMM Cc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)cc1C ZINC000846293339 1321783160 /nfs/dbraw/zinc/78/31/60/1321783160.db2.gz OYWQMUAKIJHEFH-UHFFFAOYSA-N -1 1 344.392 3.260 20 5 EGBDMM COc1ccc(C(C)=O)c(Nc2cc([O-])cc([N+](=O)[O-])c2)c1OC ZINC001201223344 1369498675 /nfs/dbraw/zinc/49/86/75/1369498675.db2.gz XLHAMXIZGJNIHC-UHFFFAOYSA-N -1 1 332.312 3.264 20 5 EGBDMM COC(=O)c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(C)=O)c1 ZINC001201224750 1369499577 /nfs/dbraw/zinc/49/95/77/1369499577.db2.gz SWQAAYSHKMBCEI-UHFFFAOYSA-N -1 1 330.296 3.033 20 5 EGBDMM COc1ccc(-n2nccc2Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210396213 1372341866 /nfs/dbraw/zinc/34/18/66/1372341866.db2.gz NSOSSZOUZFSJSC-UHFFFAOYSA-N -1 1 326.312 3.238 20 5 EGBDMM CCOC(=O)c1ncc(Cl)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396266 1372342452 /nfs/dbraw/zinc/34/24/52/1372342452.db2.gz QDDQNGIWNAWKHF-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001212893179 1372791383 /nfs/dbraw/zinc/79/13/83/1372791383.db2.gz QCASHEVJYYDJAU-UHFFFAOYSA-N -1 1 325.206 3.054 20 5 EGBDMM CC(C)(C)Oc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893030 1372791605 /nfs/dbraw/zinc/79/16/05/1372791605.db2.gz JDRIBPMTYLVWON-UHFFFAOYSA-N -1 1 329.316 3.212 20 5 EGBDMM Cc1ccc(C(F)(F)F)cc1-c1noc(-c2[n-]cnc2[N+](=O)[O-])n1 ZINC001212893060 1372791636 /nfs/dbraw/zinc/79/16/36/1372791636.db2.gz KQMMJHOPJJVSOQ-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM O=[N+]([O-])c1ccc(O)cc1OC1CC[NH+](Cc2ccccc2)CC1 ZINC001225488468 1375115700 /nfs/dbraw/zinc/11/57/00/1375115700.db2.gz FOWIQKBPLKWQLF-UHFFFAOYSA-N -1 1 328.368 3.344 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CC[C@@H](C)CC ZINC001226309419 1375236872 /nfs/dbraw/zinc/23/68/72/1375236872.db2.gz GHVABQZUCAJPRL-WDEREUQCSA-N -1 1 340.376 3.466 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001226309820 1375237241 /nfs/dbraw/zinc/23/72/41/1375237241.db2.gz JXOMLHZCTWMFBG-URLYPYJESA-N -1 1 338.360 3.076 20 5 EGBDMM O=c1[n-]c(C2CC2)nc(O[C@H]2CCc3c2cc(F)cc3F)c1[N+](=O)[O-] ZINC001228609797 1375614795 /nfs/dbraw/zinc/61/47/95/1375614795.db2.gz ITHPIAPDHOJLKO-LBPRGKRZSA-N -1 1 349.293 3.312 20 5 EGBDMM O=c1[n-]c(C2CC2)nc(O[C@@H]2CCc3c2cc(F)cc3F)c1[N+](=O)[O-] ZINC001228609796 1375615510 /nfs/dbraw/zinc/61/55/10/1375615510.db2.gz ITHPIAPDHOJLKO-GFCCVEGCSA-N -1 1 349.293 3.312 20 5 EGBDMM CCN(CC)C(=O)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229394706 1375826391 /nfs/dbraw/zinc/82/63/91/1375826391.db2.gz BGNGCZZOKSCAFJ-KRWDZBQOSA-N -1 1 344.367 3.289 20 5 EGBDMM C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])CN1C(=O)OC(C)(C)C ZINC001229397528 1375827932 /nfs/dbraw/zinc/82/79/32/1375827932.db2.gz JLTNOAAEBBLKES-ZYHUDNBSSA-N -1 1 338.360 3.077 20 5 EGBDMM COC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1F ZINC001229751652 1375885657 /nfs/dbraw/zinc/88/56/57/1375885657.db2.gz XHMXKEWIHOYHSZ-OAHLLOKOSA-N -1 1 335.287 3.041 20 5 EGBDMM COC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccc(F)cc1 ZINC001229751230 1375885726 /nfs/dbraw/zinc/88/57/26/1375885726.db2.gz TWHXMLGKGDYXBN-OAHLLOKOSA-N -1 1 335.287 3.041 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(COc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823640003 1424593066 /nfs/dbraw/zinc/59/30/66/1424593066.db2.gz OOYFZLUFCJCQAY-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CCC(CC)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820892606 1425163753 /nfs/dbraw/zinc/16/37/53/1425163753.db2.gz CODLAWYAOCEXFK-UHFFFAOYSA-N -1 1 341.375 3.171 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823646965 1441689625 /nfs/dbraw/zinc/68/96/25/1441689625.db2.gz DXGHQDMWPSUUBZ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000738360483 1441710690 /nfs/dbraw/zinc/71/06/90/1441710690.db2.gz QFBNGMUMEKTFGF-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CC[C@@H](Cc1ccccc1)Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736350626 1441809711 /nfs/dbraw/zinc/80/97/11/1441809711.db2.gz LZRPXQUUBRDUTE-AWEZNQCLSA-N -1 1 338.371 3.208 20 5 EGBDMM C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455319 1443177559 /nfs/dbraw/zinc/17/75/59/1443177559.db2.gz GUJOSTFJSHMEID-SECBINFHSA-N -1 1 328.307 3.087 20 5 EGBDMM CCS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821453431 1443858532 /nfs/dbraw/zinc/85/85/32/1443858532.db2.gz AFSKCWVZEFLGTO-ZIAGYGMSSA-N -1 1 348.432 3.251 20 5 EGBDMM Cc1ccc(CC[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000822236436 1443940982 /nfs/dbraw/zinc/94/09/82/1443940982.db2.gz ZDRXQDCQZZGQFN-SNVBAGLBSA-N -1 1 342.359 3.110 20 5 EGBDMM C[C@](NCc1ccc([N+](=O)[O-])cc1Cl)(C(=O)[O-])c1ccccc1 ZINC001331948789 957740781 /nfs/dbraw/zinc/74/07/81/957740781.db2.gz SIIJDADMTFJPMW-MRXNPFEDSA-N -1 1 334.759 3.338 20 5 EGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263070538 962211690 /nfs/dbraw/zinc/21/16/90/962211690.db2.gz GPWZFMDRRHFHHK-NSHDSACASA-N -1 1 326.780 3.325 20 5 EGBDMM C[C@](CC(=O)[O-])(NCc1ccccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001592328051 977745389 /nfs/dbraw/zinc/74/53/89/977745389.db2.gz ILNXWFBFJIVZJX-QGZVFWFLSA-N -1 1 332.331 3.214 20 5 EGBDMM COc1ccc([C@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599508144 997248229 /nfs/dbraw/zinc/24/82/29/997248229.db2.gz CIYZNUUVSLUJMN-NSHDSACASA-N -1 1 330.340 3.152 20 5 EGBDMM C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193641082 240247786 /nfs/dbraw/zinc/24/77/86/240247786.db2.gz LAAHESIAPQRSCH-YGRLFVJLSA-N -1 1 345.330 3.058 20 5 EGBDMM O=C([N-]c1cc(F)cc([N+](=O)[O-])c1)c1cc(-c2ccccn2)no1 ZINC000348016400 141232865 /nfs/dbraw/zinc/23/28/65/141232865.db2.gz QSFGUXYTJNNXFF-UHFFFAOYSA-N -1 1 328.259 3.036 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1 ZINC000350731273 141263989 /nfs/dbraw/zinc/26/39/89/141263989.db2.gz ZNVKZBQFRFIIQO-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1[C@H](C)CC[C@@H]1C ZINC000351764869 144303250 /nfs/dbraw/zinc/30/32/50/144303250.db2.gz ROVXSEYCPNXOBB-KXUCPTDWSA-N -1 1 341.795 3.154 20 5 EGBDMM CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000194726612 153354819 /nfs/dbraw/zinc/35/48/19/153354819.db2.gz ZUXDIPPIIMOUMN-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000359838882 167245026 /nfs/dbraw/zinc/24/50/26/167245026.db2.gz WQUPMGJYVXVIMW-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000091054493 307462258 /nfs/dbraw/zinc/46/22/58/307462258.db2.gz WBIJTCUYUKJPCS-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)s1 ZINC000294340873 308212117 /nfs/dbraw/zinc/21/21/17/308212117.db2.gz APSUBRBANCJQFM-UHFFFAOYSA-N -1 1 346.290 3.280 20 5 EGBDMM O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000435955413 309743745 /nfs/dbraw/zinc/74/37/45/309743745.db2.gz DQUBJILXYHHTCZ-JKSUJKDBSA-N -1 1 349.346 3.135 20 5 EGBDMM CC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1[O-] ZINC000552286715 315210923 /nfs/dbraw/zinc/21/09/23/315210923.db2.gz WZJVTMZSSXKCNI-UHFFFAOYSA-N -1 1 334.715 3.409 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CSc4ccccc4O3)no2)[n-]1 ZINC000351046808 324158287 /nfs/dbraw/zinc/15/82/87/324158287.db2.gz ALIGPGOAYAMGNZ-SNVBAGLBSA-N -1 1 330.325 3.199 20 5 EGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc2cn[nH]c21 ZINC000180785830 455245349 /nfs/dbraw/zinc/24/53/49/455245349.db2.gz KZSYAHCKVDAZGO-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1NC(=O)C(C)(C)C ZINC000264748875 455275287 /nfs/dbraw/zinc/27/52/87/455275287.db2.gz LUMJILCACRBVFB-UHFFFAOYSA-N -1 1 344.371 3.468 20 5 EGBDMM O=C([O-])c1cnc(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)s1 ZINC000600674915 460564820 /nfs/dbraw/zinc/56/48/20/460564820.db2.gz PWVWDHVDIRZHHR-UHFFFAOYSA-N -1 1 347.396 3.129 20 5 EGBDMM O=C([N-]c1cc(Br)c(F)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000190590698 455349290 /nfs/dbraw/zinc/34/92/90/455349290.db2.gz NJRXQNDZCJMURI-UHFFFAOYSA-N -1 1 347.071 3.481 20 5 EGBDMM CC(C)c1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)on1 ZINC000072648304 454321219 /nfs/dbraw/zinc/32/12/19/454321219.db2.gz LBUXQMUBPVCZGL-UHFFFAOYSA-N -1 1 347.327 3.120 20 5 EGBDMM CCCN(C)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000063737540 454443790 /nfs/dbraw/zinc/44/37/90/454443790.db2.gz BYPKLQBTZGNZEJ-UHFFFAOYSA-N -1 1 349.412 3.242 20 5 EGBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@H]1OCCc2sccc21 ZINC000339215339 456995682 /nfs/dbraw/zinc/99/56/82/456995682.db2.gz UYZKPVHMBVWESD-QLJPJBMISA-N -1 1 334.397 3.154 20 5 EGBDMM CC(C)c1ccc(C[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445134092 458018342 /nfs/dbraw/zinc/01/83/42/458018342.db2.gz ILGBYSLFWMIFFM-LBPRGKRZSA-N -1 1 343.383 3.180 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000594734172 459145654 /nfs/dbraw/zinc/14/56/54/459145654.db2.gz RFVZTPUZBMDHIQ-JYJNAYRXSA-N -1 1 348.399 3.069 20 5 EGBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@H]1CCc2ccccc21 ZINC000593733671 459967245 /nfs/dbraw/zinc/96/72/45/459967245.db2.gz YNYMFJYFGZEYSW-KRWDZBQOSA-N -1 1 326.352 3.412 20 5 EGBDMM Cc1nc(SCCCOc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000611468980 460371218 /nfs/dbraw/zinc/37/12/18/460371218.db2.gz ZPWOMONXKWVCNN-UHFFFAOYSA-N -1 1 335.385 3.268 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000826499110 607449426 /nfs/dbraw/zinc/44/94/26/607449426.db2.gz WFJJNWCWCDPPFS-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000826499110 607449428 /nfs/dbraw/zinc/44/94/28/607449428.db2.gz WFJJNWCWCDPPFS-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(Cl)c1 ZINC000047417698 1291573903 /nfs/dbraw/zinc/57/39/03/1291573903.db2.gz CPEZLIOYNZIQMA-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000131013319 1293675944 /nfs/dbraw/zinc/67/59/44/1293675944.db2.gz RHVBENHYBHHDKY-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000192727053 1295793599 /nfs/dbraw/zinc/79/35/99/1295793599.db2.gz FILOVECKNOCDRJ-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C(OCc1nc2ccccc2s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044776 1303036011 /nfs/dbraw/zinc/03/60/11/1303036011.db2.gz CMNQSMWFDYTVEE-UHFFFAOYSA-N -1 1 330.321 3.267 20 5 EGBDMM CCCCc1nc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cs1 ZINC000780074869 1304635384 /nfs/dbraw/zinc/63/53/84/1304635384.db2.gz LKFOOHRMRYSXLN-UHFFFAOYSA-N -1 1 336.369 3.457 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCc2cccs2)ccc1Cl ZINC000790004897 1306245221 /nfs/dbraw/zinc/24/52/21/1306245221.db2.gz JUVVWPBIIKBRAA-UHFFFAOYSA-N -1 1 346.817 3.294 20 5 EGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000790047062 1306253387 /nfs/dbraw/zinc/25/33/87/1306253387.db2.gz CBZIUUPFNQABPJ-UHFFFAOYSA-N -1 1 333.687 3.347 20 5 EGBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1ccc([N+](=O)[O-])cc1F ZINC000791546991 1309022775 /nfs/dbraw/zinc/02/27/75/1309022775.db2.gz SYVHMAYOZPZOPR-UHFFFAOYSA-N -1 1 349.274 3.293 20 5 EGBDMM O=c1cc(C(F)F)nc(SCc2cc(F)ccc2[N+](=O)[O-])[n-]1 ZINC000809986380 1317930740 /nfs/dbraw/zinc/93/07/40/1317930740.db2.gz DLWRWWSLEFUXRL-UHFFFAOYSA-N -1 1 331.275 3.459 20 5 EGBDMM O=[N+]([O-])c1cccc(Nc2ncc(Br)cc2[O-])c1F ZINC001210378732 1372337916 /nfs/dbraw/zinc/33/79/16/1372337916.db2.gz NYLONOXSRSFUTM-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM COC(=O)c1sc2cccnc2c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393089 1372341179 /nfs/dbraw/zinc/34/11/79/1372341179.db2.gz NLTWWBQKJFOBHT-UHFFFAOYSA-N -1 1 345.336 3.440 20 5 EGBDMM COc1ccc2c(cccc2-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c1 ZINC001212892981 1372791361 /nfs/dbraw/zinc/79/13/61/1372791361.db2.gz HDKDJIHDOFPPNB-UHFFFAOYSA-N -1 1 337.295 3.197 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc3c(Cl)ccnc23)no1 ZINC001212893020 1372791559 /nfs/dbraw/zinc/79/15/59/1372791559.db2.gz IUYDXCCUMMFYBF-UHFFFAOYSA-N -1 1 342.702 3.237 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c(Nc2nc(Br)ccc2[O-])c1F ZINC001215285001 1373194629 /nfs/dbraw/zinc/19/46/29/1373194629.db2.gz FDCZXUSVYSOQIF-UHFFFAOYSA-N -1 1 346.087 3.480 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001226309338 1375236256 /nfs/dbraw/zinc/23/62/56/1375236256.db2.gz FDSMBWUTAKLRCK-GARJFASQSA-N -1 1 338.360 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC)c1ccccc1 ZINC001226307711 1375236408 /nfs/dbraw/zinc/23/64/08/1375236408.db2.gz OHXHWHVWYQADHN-CYBMUJFWSA-N -1 1 346.339 3.402 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CCC(C)C ZINC001226310721 1375237150 /nfs/dbraw/zinc/23/71/50/1375237150.db2.gz QDWUFPBVVGPOAD-SNVBAGLBSA-N -1 1 326.349 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC[C@@H](C)[C@H]1C ZINC001226310021 1375237821 /nfs/dbraw/zinc/23/78/21/1375237821.db2.gz LFJBMVPEASLUBO-CKYFFXLPSA-N -1 1 338.360 3.076 20 5 EGBDMM CCC[C@@H](C)[C@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226322418 1375238999 /nfs/dbraw/zinc/23/89/99/1375238999.db2.gz CYDAXBWQBGKDRK-PWSUYJOCSA-N -1 1 340.376 3.466 20 5 EGBDMM CO[C@H](C)COc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227701527 1375463505 /nfs/dbraw/zinc/46/35/05/1375463505.db2.gz HMVUHLILTVJNBF-GFCCVEGCSA-N -1 1 345.351 3.254 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1nccs1 ZINC001228857965 1375695808 /nfs/dbraw/zinc/69/58/08/1375695808.db2.gz AAHOKSYCPUAEDK-RXMQYKEDSA-N -1 1 335.263 3.311 20 5 EGBDMM COC1CCC(Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228860982 1375697226 /nfs/dbraw/zinc/69/72/26/1375697226.db2.gz ZDAWXSVWVSFMDU-UHFFFAOYSA-N -1 1 336.266 3.051 20 5 EGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1ccc(Cl)cc1 ZINC000823630028 1425038662 /nfs/dbraw/zinc/03/86/62/1425038662.db2.gz QBWXRLWCBHBFIR-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820409730 1425328757 /nfs/dbraw/zinc/32/87/57/1425328757.db2.gz ABRRMAHVWTXXOE-VXGBXAGGSA-N -1 1 338.371 3.187 20 5 EGBDMM C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820409730 1425328764 /nfs/dbraw/zinc/32/87/64/1425328764.db2.gz ABRRMAHVWTXXOE-VXGBXAGGSA-N -1 1 338.371 3.187 20 5 EGBDMM O=[N+]([O-])c1ccc(CCNc2c(Cl)cccc2-c2nnn[n-]2)cc1 ZINC000823635091 1427660162 /nfs/dbraw/zinc/66/01/62/1427660162.db2.gz REOZVIQHNJCUHU-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@H]2CSc3ccccc32)c(-c2nnn[n-]2)c1 ZINC000738369538 1441629790 /nfs/dbraw/zinc/62/97/90/1441629790.db2.gz HUCMTXPOBVCGGC-ZDUSSCGKSA-N -1 1 340.368 3.034 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC12CCCCC2 ZINC000826497925 1441754633 /nfs/dbraw/zinc/75/46/33/1441754633.db2.gz ZAZOYMJLASSMGZ-UHFFFAOYSA-N -1 1 328.376 3.078 20 5 EGBDMM Cc1cccc([C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737390771 1443146838 /nfs/dbraw/zinc/14/68/38/1443146838.db2.gz VGNMCYOTOUHPEO-LBPRGKRZSA-N -1 1 338.371 3.299 20 5 EGBDMM Cc1ccc([C@H](C)N(C)c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737318587 1443887112 /nfs/dbraw/zinc/88/71/12/1443887112.db2.gz BCXXKQIPEJCDFC-LBPRGKRZSA-N -1 1 338.371 3.281 20 5 EGBDMM C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736298990 1443979387 /nfs/dbraw/zinc/97/93/87/1443979387.db2.gz RKIYGWATFNKEAJ-QLJPJBMISA-N -1 1 336.355 3.120 20 5 EGBDMM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187552319 236243776 /nfs/dbraw/zinc/24/37/76/236243776.db2.gz BEIUTNGORXOHFV-GFCCVEGCSA-N -1 1 341.367 3.136 20 5 EGBDMM C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000354577795 141309149 /nfs/dbraw/zinc/30/91/49/141309149.db2.gz KNXKWZZLVGXJSC-UWVGGRQHSA-N -1 1 332.809 3.105 20 5 EGBDMM CCSc1ccc(Cl)cc1[N-]C(=O)c1c([N+](=O)[O-])cnn1C ZINC000119597313 152215786 /nfs/dbraw/zinc/21/57/86/152215786.db2.gz ONEBSTQIFCTZJT-UHFFFAOYSA-N -1 1 340.792 3.346 20 5 EGBDMM O=C(Nc1ccc(OC(F)F)c2ncccc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000344141135 164113029 /nfs/dbraw/zinc/11/30/29/164113029.db2.gz MRRVCEHSPGSSRK-UHFFFAOYSA-N -1 1 348.265 3.325 20 5 EGBDMM O=C(Nc1cc(Br)c(F)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000346148088 164349355 /nfs/dbraw/zinc/34/93/55/164349355.db2.gz KVSHSOHBQTULOE-UHFFFAOYSA-N -1 1 346.087 3.216 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncccc2Cl)c1C ZINC000180198152 265397909 /nfs/dbraw/zinc/39/79/09/265397909.db2.gz ZKPWWRKLUBTMGS-UHFFFAOYSA-N -1 1 341.776 3.061 20 5 EGBDMM CCc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000193403090 266030583 /nfs/dbraw/zinc/03/05/83/266030583.db2.gz GWYHICOHHDLAQY-UHFFFAOYSA-N -1 1 341.367 3.063 20 5 EGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000193444563 266033610 /nfs/dbraw/zinc/03/36/10/266033610.db2.gz USKXHDRYHIJHMW-UHFFFAOYSA-N -1 1 349.774 3.056 20 5 EGBDMM C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274881272 267300879 /nfs/dbraw/zinc/30/08/79/267300879.db2.gz CUDZNNNGOMEPJB-XUJVJEKNSA-N -1 1 341.367 3.102 20 5 EGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000007373227 275117810 /nfs/dbraw/zinc/11/78/10/275117810.db2.gz RMLIWJKQAVUYTP-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CC(C)c1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000005523034 452879831 /nfs/dbraw/zinc/87/98/31/452879831.db2.gz FCWYKELKJUZELU-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM COc1ccccc1C1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CC1 ZINC000293240002 308112881 /nfs/dbraw/zinc/11/28/81/308112881.db2.gz FKYDBXJFVHSOIY-UHFFFAOYSA-N -1 1 326.312 3.061 20 5 EGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000445006343 309934625 /nfs/dbraw/zinc/93/46/25/309934625.db2.gz CCKUSYNPMJVLNP-MRVPVSSYSA-N -1 1 341.776 3.291 20 5 EGBDMM Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456828213 310424381 /nfs/dbraw/zinc/42/43/81/310424381.db2.gz DNQTWXUQCXAAIM-CQSZACIVSA-N -1 1 345.330 3.120 20 5 EGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000570355414 317044371 /nfs/dbraw/zinc/04/43/71/317044371.db2.gz VJLBJALUCZJKPJ-JTQLQIEISA-N -1 1 338.389 3.022 20 5 EGBDMM CCc1nc(SCCOc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C ZINC000571345068 317186251 /nfs/dbraw/zinc/18/62/51/317186251.db2.gz MEXKCOXPSZJXTO-UHFFFAOYSA-N -1 1 335.385 3.132 20 5 EGBDMM COCCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cc1 ZINC000350989819 324150715 /nfs/dbraw/zinc/15/07/15/324150715.db2.gz NVFAEFBQCIDAMU-UHFFFAOYSA-N -1 1 344.327 3.055 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]c2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000059394555 454258600 /nfs/dbraw/zinc/25/86/00/454258600.db2.gz TXYBJEHEVIWTRF-UHFFFAOYSA-N -1 1 339.311 3.491 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c([N+](=O)[O-])c1 ZINC000102748597 454518432 /nfs/dbraw/zinc/51/84/32/454518432.db2.gz FQPRIMVHWGGHQF-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1csc([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000092788010 454631568 /nfs/dbraw/zinc/63/15/68/454631568.db2.gz RSXVVUGKZNUTEF-LBPRGKRZSA-N -1 1 333.413 3.445 20 5 EGBDMM O=C(Nc1cccc([O-])c1F)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000129228844 455103241 /nfs/dbraw/zinc/10/32/41/455103241.db2.gz XQJOVGJXEGMNQZ-UHFFFAOYSA-N -1 1 331.303 3.266 20 5 EGBDMM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2C)cc1SC ZINC000264026593 455185711 /nfs/dbraw/zinc/18/57/11/455185711.db2.gz TUIGBEYZQOXDDL-UHFFFAOYSA-N -1 1 337.357 3.182 20 5 EGBDMM O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337582069 456398773 /nfs/dbraw/zinc/39/87/73/456398773.db2.gz JIPXEFIUQMLIKG-UHFFFAOYSA-N -1 1 335.319 3.406 20 5 EGBDMM Cn1ccnc1Sc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340439766 456463900 /nfs/dbraw/zinc/46/39/00/456463900.db2.gz CRMISRODDCKEKK-UHFFFAOYSA-N -1 1 343.368 3.060 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)C)s2)c1 ZINC000282583963 456560435 /nfs/dbraw/zinc/56/04/35/456560435.db2.gz DAWLZTWNEVIKDQ-UHFFFAOYSA-N -1 1 336.373 3.221 20 5 EGBDMM Cc1cc(N2CCC[C@](C)(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326183604 456690497 /nfs/dbraw/zinc/69/04/97/456690497.db2.gz RDFBKFUTOVUXBW-KRWDZBQOSA-N -1 1 329.356 3.143 20 5 EGBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H](C(=O)[O-])C1 ZINC000568523150 459303116 /nfs/dbraw/zinc/30/31/16/459303116.db2.gz UQSICDOUHXOLRX-TVQRCGJNSA-N -1 1 346.305 3.299 20 5 EGBDMM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000482498941 459311739 /nfs/dbraw/zinc/31/17/39/459311739.db2.gz MNLSFKRQJKIZDF-UMSPYCQHSA-N -1 1 347.758 3.025 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c([N+](=O)[O-])c1 ZINC000572916473 459595152 /nfs/dbraw/zinc/59/51/52/459595152.db2.gz DTOVUYUURNCWKY-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CN(C)[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC000566294160 459837047 /nfs/dbraw/zinc/83/70/47/459837047.db2.gz AEHXJCBUXGHQIF-CQSZACIVSA-N -1 1 335.385 3.069 20 5 EGBDMM CC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000609234048 459929972 /nfs/dbraw/zinc/92/99/72/459929972.db2.gz JGWIHQUPUPXLRT-LLVKDONJSA-N -1 1 334.825 3.351 20 5 EGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000615704974 460376911 /nfs/dbraw/zinc/37/69/11/460376911.db2.gz FBWMEJDEYXPPKR-UHFFFAOYSA-N -1 1 332.381 3.461 20 5 EGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000612997924 460797142 /nfs/dbraw/zinc/79/71/42/460797142.db2.gz USFGWNKHALIFRA-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000188152818 535889305 /nfs/dbraw/zinc/88/93/05/535889305.db2.gz XARWVDQYHXFGRA-LBPRGKRZSA-N -1 1 335.747 3.230 20 5 EGBDMM Cc1ccc2nc(CNc3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)[nH]c2c1 ZINC000832958828 602321967 /nfs/dbraw/zinc/32/19/67/602321967.db2.gz LMLKVHAXZTVEKP-UHFFFAOYSA-N -1 1 340.339 3.398 20 5 EGBDMM CC(C)c1ccc(CN2CCSC[C@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000833509673 604660437 /nfs/dbraw/zinc/66/04/37/604660437.db2.gz AHYBTCGZZMZEIC-CYBMUJFWSA-N -1 1 338.429 3.110 20 5 EGBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2cccs2)ccc1-c1nn[n-]n1 ZINC000823634810 606645043 /nfs/dbraw/zinc/64/50/43/606645043.db2.gz MKFHNWWLUDFQAB-LBPRGKRZSA-N -1 1 342.384 3.178 20 5 EGBDMM CC(C)CC(CC(C)C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820056814 606707933 /nfs/dbraw/zinc/70/79/33/606707933.db2.gz SRBQEDTZJFQFFD-UHFFFAOYSA-N -1 1 333.396 3.043 20 5 EGBDMM CC(C)CC(CC(C)C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820056814 606707935 /nfs/dbraw/zinc/70/79/35/606707935.db2.gz SRBQEDTZJFQFFD-UHFFFAOYSA-N -1 1 333.396 3.043 20 5 EGBDMM CCc1c(C)[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c1=O ZINC000871958197 1296631939 /nfs/dbraw/zinc/63/19/39/1296631939.db2.gz AHDWITCZMGKFLA-SECBINFHSA-N -1 1 326.150 3.106 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(C2CCCCC2)CC1 ZINC000770228088 1303238607 /nfs/dbraw/zinc/23/86/07/1303238607.db2.gz ALVMRMGQXQORHT-UHFFFAOYSA-N -1 1 333.388 3.128 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000800052476 1310664274 /nfs/dbraw/zinc/66/42/74/1310664274.db2.gz YGLMNWKTUODXGS-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM COc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)c2ccccc12 ZINC001212893007 1372791547 /nfs/dbraw/zinc/79/15/47/1372791547.db2.gz IDWKUVBUFXZHMR-UHFFFAOYSA-N -1 1 337.295 3.197 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCCC[C@@H]1CC ZINC001226309681 1375236376 /nfs/dbraw/zinc/23/63/76/1375236376.db2.gz HUMFBAHFZAUKJT-JQWIXIFHSA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cccs1 ZINC001226307354 1375236610 /nfs/dbraw/zinc/23/66/10/1375236610.db2.gz KDXVGIUDPBWHIT-QMMMGPOBSA-N -1 1 338.341 3.074 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCCC[C@@H]1CC ZINC001226309680 1375236640 /nfs/dbraw/zinc/23/66/40/1375236640.db2.gz HUMFBAHFZAUKJT-CMPLNLGQSA-N -1 1 338.360 3.220 20 5 EGBDMM CCC[C@@H](C)[C@@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226322419 1375239098 /nfs/dbraw/zinc/23/90/98/1375239098.db2.gz CYDAXBWQBGKDRK-ZYHUDNBSSA-N -1 1 340.376 3.466 20 5 EGBDMM C[C@H]1COCC[C@H]1Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227311250 1375418878 /nfs/dbraw/zinc/41/88/78/1375418878.db2.gz ZDDRCAKBLXOLSB-IINYFYTJSA-N -1 1 342.347 3.161 20 5 EGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1OCCOC1CCCC1 ZINC001228859235 1375697173 /nfs/dbraw/zinc/69/71/73/1375697173.db2.gz JPHUXZMTZDEZKS-UHFFFAOYSA-N -1 1 336.266 3.052 20 5 EGBDMM NCc1nccnc1[N-]c1nc2c(ccc3ccccc32)nc1Cl ZINC001171449431 1384527483 /nfs/dbraw/zinc/52/74/83/1384527483.db2.gz FGESDICUDZFITO-UHFFFAOYSA-N -1 1 336.786 3.429 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3c(F)ccc([O-])c3F)c-2cc1=O ZINC001175269100 1385236144 /nfs/dbraw/zinc/23/61/44/1385236144.db2.gz BLKREIKSRSCWIQ-UHFFFAOYSA-N -1 1 339.301 3.057 20 5 EGBDMM CCOc1cc(Oc2cccc(F)c2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000825615635 1428949246 /nfs/dbraw/zinc/94/92/46/1428949246.db2.gz DOJRMGGEHRMPHV-UHFFFAOYSA-N -1 1 345.290 3.105 20 5 EGBDMM C[C@H]1Cc2ccccc2[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736296517 1425850256 /nfs/dbraw/zinc/85/02/56/1425850256.db2.gz IRSNPHVBJLCQLU-MGPLVRAMSA-N -1 1 336.355 3.120 20 5 EGBDMM CN(Cc1ccccc1Cl)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825981186 1442059165 /nfs/dbraw/zinc/05/91/65/1442059165.db2.gz QCBWOTGLRURFCK-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822195050 1446883568 /nfs/dbraw/zinc/88/35/68/1446883568.db2.gz FKHNVIGCFDOWED-UHFFFAOYSA-N -1 1 342.334 3.143 20 5 EGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000901554048 956339383 /nfs/dbraw/zinc/33/93/83/956339383.db2.gz VFINHIUNKHGHOL-NSHDSACASA-N -1 1 326.780 3.325 20 5 EGBDMM O=C([O-])CC[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000263070536 962212751 /nfs/dbraw/zinc/21/27/51/962212751.db2.gz GPWZFMDRRHFHHK-LLVKDONJSA-N -1 1 326.780 3.325 20 5 EGBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001603430395 973177003 /nfs/dbraw/zinc/17/70/03/973177003.db2.gz RQVDRNMWYVYALX-JOYOIKCWSA-N -1 1 346.305 3.156 20 5 EGBDMM CN(CCc1ccccc1F)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001598502260 992449724 /nfs/dbraw/zinc/44/97/24/992449724.db2.gz QNWGQFLJAPYUIL-UHFFFAOYSA-N -1 1 332.331 3.107 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000193435138 153290535 /nfs/dbraw/zinc/29/05/35/153290535.db2.gz PLFPOOZZEUCTDW-CYBMUJFWSA-N -1 1 347.758 3.326 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3OC(F)F)no2)[n-]1 ZINC000355888272 166338175 /nfs/dbraw/zinc/33/81/75/166338175.db2.gz IQBSLFRRQJCJIA-UHFFFAOYSA-N -1 1 336.254 3.165 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cc1[N+](=O)[O-] ZINC000194636956 266133663 /nfs/dbraw/zinc/13/36/63/266133663.db2.gz XUVKKEHBUDYJQE-UHFFFAOYSA-N -1 1 342.323 3.123 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCC2(CCCCC2)CC1 ZINC000190621412 280168201 /nfs/dbraw/zinc/16/82/01/280168201.db2.gz YXHNLKXTNNELGV-UHFFFAOYSA-N -1 1 333.388 3.272 20 5 EGBDMM CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000360043262 281371373 /nfs/dbraw/zinc/37/13/73/281371373.db2.gz WIFOLWCJDKRFIE-UHFFFAOYSA-N -1 1 348.380 3.109 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Br)cc3)no2)[n-]1 ZINC000360934399 304801558 /nfs/dbraw/zinc/80/15/58/304801558.db2.gz ISAJTMCSDOGUIX-UHFFFAOYSA-N -1 1 335.117 3.402 20 5 EGBDMM CCOC(=O)c1ccnc([N-]c2cnn([C@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000302390953 308736639 /nfs/dbraw/zinc/73/66/39/308736639.db2.gz IIDSOMCXONQZKL-SNVBAGLBSA-N -1 1 345.359 3.078 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000018889649 453652359 /nfs/dbraw/zinc/65/23/59/453652359.db2.gz WGAPARLTALSRJY-UHFFFAOYSA-N -1 1 326.765 3.305 20 5 EGBDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000421231560 309317006 /nfs/dbraw/zinc/31/70/06/309317006.db2.gz JILNWYXJBIMTST-CYBMUJFWSA-N -1 1 344.433 3.014 20 5 EGBDMM CC1(C)C[C@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000425117598 309466550 /nfs/dbraw/zinc/46/65/50/309466550.db2.gz KQVUIHQACLAKIT-OAHLLOKOSA-N -1 1 341.367 3.309 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([O-])cc2F)no1 ZINC000436879764 309778871 /nfs/dbraw/zinc/77/88/71/309778871.db2.gz OBYCCHWFSABZFO-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1c([O-])cccc1F ZINC000436991906 309784872 /nfs/dbraw/zinc/78/48/72/309784872.db2.gz WULWXAGOGRNNRU-UHFFFAOYSA-N -1 1 338.722 3.065 20 5 EGBDMM CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465487594 310633413 /nfs/dbraw/zinc/63/34/13/310633413.db2.gz DUNRPXSJGXGXSJ-MWLCHTKSSA-N -1 1 332.809 3.105 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C1CCCCCC1 ZINC000516786100 312341898 /nfs/dbraw/zinc/34/18/98/312341898.db2.gz DNXYLSAMYNEVKC-UHFFFAOYSA-N -1 1 332.809 3.249 20 5 EGBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000540725687 314399798 /nfs/dbraw/zinc/39/97/98/314399798.db2.gz DOUAIMGUPZPDGK-UHFFFAOYSA-N -1 1 340.257 3.249 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccccc2)CCOCC1 ZINC000555417240 315383266 /nfs/dbraw/zinc/38/32/66/315383266.db2.gz BWXPQQANMWIQSR-UHFFFAOYSA-N -1 1 328.368 3.096 20 5 EGBDMM COc1c(Cl)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1Cl ZINC000337662389 456467050 /nfs/dbraw/zinc/46/70/50/456467050.db2.gz REWRCGWICOXEQD-UHFFFAOYSA-N -1 1 330.127 3.491 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2C)c1C ZINC000015245339 453562504 /nfs/dbraw/zinc/56/25/04/453562504.db2.gz PTJLLLGDLKCBKE-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCCc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)o1 ZINC000298185691 456383989 /nfs/dbraw/zinc/38/39/89/456383989.db2.gz VUMAFWHGRHRDOE-UHFFFAOYSA-N -1 1 325.271 3.374 20 5 EGBDMM CC(C)[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000344982156 456886162 /nfs/dbraw/zinc/88/61/62/456886162.db2.gz OYXCQTRBIAFODH-LSDHHAIUSA-N -1 1 341.367 3.310 20 5 EGBDMM CCOC(=O)c1ccnc([N-]c2cnn([C@H](C)CC)c2C)c1[N+](=O)[O-] ZINC000357640660 457635765 /nfs/dbraw/zinc/63/57/65/457635765.db2.gz FYYIWZFMCASVQP-SNVBAGLBSA-N -1 1 347.375 3.386 20 5 EGBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000369319118 458170059 /nfs/dbraw/zinc/17/00/59/458170059.db2.gz KKZKHBXFFUBSEA-GFCCVEGCSA-N -1 1 333.388 3.128 20 5 EGBDMM CC(C)(C)OC(=O)N1CCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000495922156 459006688 /nfs/dbraw/zinc/00/66/88/459006688.db2.gz OJJHTGGWRITFNB-JTQLQIEISA-N -1 1 349.347 3.045 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000594734171 459144595 /nfs/dbraw/zinc/14/45/95/459144595.db2.gz RFVZTPUZBMDHIQ-HRCADAONSA-N -1 1 348.399 3.069 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000594734173 459144921 /nfs/dbraw/zinc/14/49/21/459144921.db2.gz RFVZTPUZBMDHIQ-OWCLPIDISA-N -1 1 348.399 3.069 20 5 EGBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c1 ZINC000590597739 459157748 /nfs/dbraw/zinc/15/77/48/459157748.db2.gz YMIUAYJIRLXGQU-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000574039397 459772126 /nfs/dbraw/zinc/77/21/26/459772126.db2.gz OTECGERLHBBYQN-STQMWFEESA-N -1 1 336.388 3.067 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000613509482 460976096 /nfs/dbraw/zinc/97/60/96/460976096.db2.gz CXMINOZIPNVTNM-MRXNPFEDSA-N -1 1 348.355 3.327 20 5 EGBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000731039370 575046058 /nfs/dbraw/zinc/04/60/58/575046058.db2.gz RJJQTFXTGUMABO-HOMQSWHASA-N -1 1 332.809 3.105 20 5 EGBDMM Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc(C)c1Cl ZINC000737279776 576197651 /nfs/dbraw/zinc/19/76/51/576197651.db2.gz MTDNGNYWWLPKMZ-UHFFFAOYSA-N -1 1 346.734 3.232 20 5 EGBDMM Cc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc(C)c1Cl ZINC000737279776 576197654 /nfs/dbraw/zinc/19/76/54/576197654.db2.gz MTDNGNYWWLPKMZ-UHFFFAOYSA-N -1 1 346.734 3.232 20 5 EGBDMM CC(C)c1nc([C@@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833513065 605006428 /nfs/dbraw/zinc/00/64/28/605006428.db2.gz ZRTPSYISDPVLNC-BREXMAIKSA-N -1 1 345.359 3.107 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000077687741 1292481695 /nfs/dbraw/zinc/48/16/95/1292481695.db2.gz VOBYKJLKUTVQJJ-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000132361144 1293716864 /nfs/dbraw/zinc/71/68/64/1293716864.db2.gz QZBKHSMZIRVXLI-UHFFFAOYSA-N -1 1 349.343 3.324 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc([N+](=O)[O-])c1F ZINC000154227583 1294046318 /nfs/dbraw/zinc/04/63/18/1294046318.db2.gz MQEXAZFFDDSREY-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000193846002 1295917681 /nfs/dbraw/zinc/91/76/81/1295917681.db2.gz ROOXBXMYRLLUHB-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C1[N-]C(=O)C(=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)S1 ZINC000874927513 1298167282 /nfs/dbraw/zinc/16/72/82/1298167282.db2.gz IZMBDTBFJIHTRJ-BJMVGYQFSA-N -1 1 333.350 3.042 20 5 EGBDMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725816821 1298369266 /nfs/dbraw/zinc/36/92/66/1298369266.db2.gz ZFZOPWMJIFQTGR-GXSJLCMTSA-N -1 1 332.809 3.105 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000752018746 1299680811 /nfs/dbraw/zinc/68/08/11/1299680811.db2.gz SHLSYDOOEZNPLJ-UHFFFAOYSA-N -1 1 344.820 3.107 20 5 EGBDMM CC[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000780072892 1304635072 /nfs/dbraw/zinc/63/50/72/1304635072.db2.gz VOPGZVKOABTNSS-HNNXBMFYSA-N -1 1 329.308 3.119 20 5 EGBDMM Cc1cccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1F ZINC000800052408 1310665304 /nfs/dbraw/zinc/66/53/04/1310665304.db2.gz VVBARVAAZBIHCO-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Cl)c2)c1 ZINC000800929019 1310838992 /nfs/dbraw/zinc/83/89/92/1310838992.db2.gz CYMIXPXOXBRNLF-UHFFFAOYSA-N -1 1 348.167 3.097 20 5 EGBDMM CCN(CCC(=O)[O-])Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000901602962 1317451877 /nfs/dbraw/zinc/45/18/77/1317451877.db2.gz YQLYRGIMMIGLDS-UHFFFAOYSA-N -1 1 335.385 3.015 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cccn3c(Br)cnc23)ccc1[O-] ZINC001210392665 1372341655 /nfs/dbraw/zinc/34/16/55/1372341655.db2.gz GYPJWFUPCDGWLP-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cc(Br)cnc2F)ccc1[O-] ZINC001210393107 1372341759 /nfs/dbraw/zinc/34/17/59/1372341759.db2.gz OKQMQIOYMIUPJV-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001212892944 1372791313 /nfs/dbraw/zinc/79/13/13/1372791313.db2.gz FCHHLCXQWHQOJG-UHFFFAOYSA-N -1 1 326.099 3.342 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001212892886 1372791424 /nfs/dbraw/zinc/79/14/24/1372791424.db2.gz ASUQIRWNXAUFHL-UHFFFAOYSA-N -1 1 325.259 3.327 20 5 EGBDMM O=[N+]([O-])c1c(-c2nc(-c3cccc(F)c3)no2)n[n-]c1C(F)(F)F ZINC001212972231 1372807764 /nfs/dbraw/zinc/80/77/64/1372807764.db2.gz HYMWGTDVWORPKE-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM CC1(C)C(=O)CCC[C@@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228858690 1375695478 /nfs/dbraw/zinc/69/54/78/1375695478.db2.gz GBTQVJXRHOVAOB-JTQLQIEISA-N -1 1 348.277 3.241 20 5 EGBDMM CCCCOC[C@@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395797 1375826596 /nfs/dbraw/zinc/82/65/96/1375826596.db2.gz MHMDFNRFOTYWEJ-CHWSQXEVSA-N -1 1 327.377 3.290 20 5 EGBDMM Cc1ccc(N2CCC[C@H](Oc3cc([N+](=O)[O-])ccc3[O-])C2)nc1 ZINC001229396381 1375826669 /nfs/dbraw/zinc/82/66/69/1375826669.db2.gz SNZBLDZVTFAWSC-AWEZNQCLSA-N -1 1 329.356 3.052 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CCOC[C@@H]3F)ccc12 ZINC001229514666 1375849682 /nfs/dbraw/zinc/84/96/82/1375849682.db2.gz LIXISMPIPPUFQU-GJZGRUSLSA-N -1 1 330.311 3.158 20 5 EGBDMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C[N+](=O)[O-])c1cccnc1 ZINC001233650992 1376691863 /nfs/dbraw/zinc/69/18/63/1376691863.db2.gz VRQOMFZDAUDKDS-KRWDZBQOSA-N -1 1 330.340 3.167 20 5 EGBDMM COCCn1c(-c2cc([O-])cc([N+](=O)[O-])c2)nc2cccc(F)c21 ZINC001251385952 1377085486 /nfs/dbraw/zinc/08/54/86/1377085486.db2.gz MIBYZKFQCWZHIF-UHFFFAOYSA-N -1 1 331.303 3.103 20 5 EGBDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1ccc([N+](=O)[O-])cc1F ZINC000822129060 1425855010 /nfs/dbraw/zinc/85/50/10/1425855010.db2.gz HBTHLKIHAIORDK-UHFFFAOYSA-N -1 1 343.318 3.110 20 5 EGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SCc1cccc(Cl)c1 ZINC000823629851 1423864651 /nfs/dbraw/zinc/86/46/51/1423864651.db2.gz JPFKPYPUDFQAPE-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM Cc1cc([C@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])ccc1F ZINC000822191766 1424039795 /nfs/dbraw/zinc/03/97/95/1424039795.db2.gz PZFOJJAKHUETBR-JTQLQIEISA-N -1 1 342.334 3.396 20 5 EGBDMM Cc1ccc(C(C)C)cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822229032 1426109060 /nfs/dbraw/zinc/10/90/60/1426109060.db2.gz KUIMBAFQXJFINP-UHFFFAOYSA-N -1 1 340.343 3.394 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823639893 1427135609 /nfs/dbraw/zinc/13/56/09/1427135609.db2.gz LCXGGZWRLLPNIK-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM C[C@@H](C1CCCCC1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001574472414 949550567 /nfs/dbraw/zinc/55/05/67/949550567.db2.gz UMMOHLANNZFPBR-VIFPVBQESA-N -1 1 336.421 3.241 20 5 EGBDMM C[C@@H](C1CCCCC1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001574472414 949550577 /nfs/dbraw/zinc/55/05/77/949550577.db2.gz UMMOHLANNZFPBR-VIFPVBQESA-N -1 1 336.421 3.241 20 5 EGBDMM CC(C)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001591957087 976527274 /nfs/dbraw/zinc/52/72/74/976527274.db2.gz BGLOBJZNCNNMGV-QGZVFWFLSA-N -1 1 344.367 3.339 20 5 EGBDMM CCC1(CC)CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCS1 ZINC001595376352 980905656 /nfs/dbraw/zinc/90/56/56/980905656.db2.gz VHXQZZSQJRDWSG-UHFFFAOYSA-N -1 1 338.429 3.401 20 5 EGBDMM CC(C)(C)c1n[nH]c(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n1 ZINC001590574834 990216366 /nfs/dbraw/zinc/21/63/66/990216366.db2.gz NAVXDVVOCCTZSC-UHFFFAOYSA-N -1 1 336.373 3.001 20 5 EGBDMM CC(C)(C)c1nc(SCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])n[nH]1 ZINC001590574834 990216374 /nfs/dbraw/zinc/21/63/74/990216374.db2.gz NAVXDVVOCCTZSC-UHFFFAOYSA-N -1 1 336.373 3.001 20 5 EGBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594169017 998652168 /nfs/dbraw/zinc/65/21/68/998652168.db2.gz YZEFQZRLDJWUDK-QMTHXVAHSA-N -1 1 347.396 3.013 20 5 EGBDMM Cc1cccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000119536259 221342695 /nfs/dbraw/zinc/34/26/95/221342695.db2.gz OZMJZYQJHRRHOH-UHFFFAOYSA-N -1 1 340.788 3.035 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccccc2)CC1 ZINC000187069469 144151363 /nfs/dbraw/zinc/15/13/63/144151363.db2.gz KBXCHIPRVJMBET-AWEZNQCLSA-N -1 1 341.367 3.105 20 5 EGBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344193600 164123881 /nfs/dbraw/zinc/12/38/81/164123881.db2.gz YVOCOWOMOVJMNJ-UHFFFAOYSA-N -1 1 334.288 3.098 20 5 EGBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccc1OC(C)C ZINC000355639218 166268383 /nfs/dbraw/zinc/26/83/83/166268383.db2.gz QKOWYDXOTXHADU-UHFFFAOYSA-N -1 1 344.327 3.436 20 5 EGBDMM CC1(C)Cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C(=O)C1 ZINC000042651819 276151811 /nfs/dbraw/zinc/15/18/11/276151811.db2.gz CFQQXQCJKMYSSG-UHFFFAOYSA-N -1 1 335.341 3.052 20 5 EGBDMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000156197315 280537156 /nfs/dbraw/zinc/53/71/56/280537156.db2.gz VBTKUUUYTWROOZ-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1C ZINC000078677281 307420630 /nfs/dbraw/zinc/42/06/30/307420630.db2.gz STJIGILVTJVPQH-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1[N+](=O)[O-] ZINC000296058816 308389359 /nfs/dbraw/zinc/38/93/59/308389359.db2.gz UOOSXVMLLVXDNI-UHFFFAOYSA-N -1 1 348.380 3.282 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000491682120 311187492 /nfs/dbraw/zinc/18/74/92/311187492.db2.gz XQZRQVZZLQYDFT-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1 ZINC000542729973 314572986 /nfs/dbraw/zinc/57/29/86/314572986.db2.gz XOOPEPFSWQDSOV-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000520832305 459098148 /nfs/dbraw/zinc/09/81/48/459098148.db2.gz GKXYLAIKULOVIN-MGCOHNPYSA-N -1 1 332.809 3.105 20 5 EGBDMM CSc1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000078713901 454304520 /nfs/dbraw/zinc/30/45/20/454304520.db2.gz JSDYQPQSWXVVFO-UHFFFAOYSA-N -1 1 330.778 3.074 20 5 EGBDMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000134775569 454587949 /nfs/dbraw/zinc/58/79/49/454587949.db2.gz VLYDHRRGBBVAOQ-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc([O-])c(Cl)c1 ZINC000111667102 454871014 /nfs/dbraw/zinc/87/10/14/454871014.db2.gz UFDIYBKPQIDEQE-UHFFFAOYSA-N -1 1 335.747 3.395 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1F ZINC000180018663 455116992 /nfs/dbraw/zinc/11/69/92/455116992.db2.gz DHZJVYDIUFWHIM-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM COc1ccc([N-]C(=O)c2cc(COC(C)(C)C)on2)c([N+](=O)[O-])c1 ZINC000184819148 455453258 /nfs/dbraw/zinc/45/32/58/455453258.db2.gz DWJFSAKPJWCPDS-UHFFFAOYSA-N -1 1 349.343 3.159 20 5 EGBDMM O=c1[n-]c(Oc2ccccc2[N+](=O)[O-])nc2c1cnn2-c1ccccc1 ZINC000359693798 457116690 /nfs/dbraw/zinc/11/66/90/457116690.db2.gz QFQYEASLJHFHJJ-UHFFFAOYSA-N -1 1 349.306 3.222 20 5 EGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc2cccc(F)c2o1 ZINC000356996370 457265697 /nfs/dbraw/zinc/26/56/97/457265697.db2.gz KQZUUEHYBVPFQP-QMMMGPOBSA-N -1 1 345.286 3.072 20 5 EGBDMM CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000610136382 460069350 /nfs/dbraw/zinc/06/93/50/460069350.db2.gz LFBMKBRUGXQKII-MNOVXSKESA-N -1 1 346.836 3.495 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)cc1[N+](=O)[O-] ZINC000603979591 460366903 /nfs/dbraw/zinc/36/69/03/460366903.db2.gz JGQSXEHTBNNORB-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cnc(C2CC2)s1 ZINC000729652091 574877204 /nfs/dbraw/zinc/87/72/04/574877204.db2.gz PTOXQKQODJQAJP-UHFFFAOYSA-N -1 1 325.296 3.459 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])c(F)c2)c1 ZINC000744943718 576837442 /nfs/dbraw/zinc/83/74/42/576837442.db2.gz PTRODENSQXJHJM-UHFFFAOYSA-N -1 1 347.298 3.042 20 5 EGBDMM C[C@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000820456290 607344568 /nfs/dbraw/zinc/34/45/68/607344568.db2.gz RMAUXLJEWRBXHJ-QMMMGPOBSA-N -1 1 346.297 3.226 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832481359 601653105 /nfs/dbraw/zinc/65/31/05/601653105.db2.gz CPEOXHYMLLDJON-PXAZEXFGSA-N -1 1 344.367 3.155 20 5 EGBDMM CC(C)c1ccc(CN2CCSC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000833509674 604660398 /nfs/dbraw/zinc/66/03/98/604660398.db2.gz AHYBTCGZZMZEIC-ZDUSSCGKSA-N -1 1 338.429 3.110 20 5 EGBDMM CSc1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000078713792 1292521813 /nfs/dbraw/zinc/52/18/13/1292521813.db2.gz LYAKHMFZCKSFKX-UHFFFAOYSA-N -1 1 330.778 3.074 20 5 EGBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000780068115 1304635880 /nfs/dbraw/zinc/63/58/80/1304635880.db2.gz JSHJGYHFZVYQAW-UHFFFAOYSA-N -1 1 341.728 3.055 20 5 EGBDMM CC(C)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791412199 1308986037 /nfs/dbraw/zinc/98/60/37/1308986037.db2.gz WTGOOQJJYUFTGX-UHFFFAOYSA-N -1 1 341.216 3.226 20 5 EGBDMM CCC(CC)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809386003 1317808938 /nfs/dbraw/zinc/80/89/38/1317808938.db2.gz WYFBWORLVYCCLN-UHFFFAOYSA-N -1 1 341.216 3.369 20 5 EGBDMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809809801 1317905086 /nfs/dbraw/zinc/90/50/86/1317905086.db2.gz AEUIWYXBWAARNN-YUMQZZPRSA-N -1 1 338.788 3.100 20 5 EGBDMM CCOC(=O)c1cc2cc(N)ccc2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222492 1369498665 /nfs/dbraw/zinc/49/86/65/1369498665.db2.gz NGJPGWFVDNSCCO-UHFFFAOYSA-N -1 1 341.323 3.003 20 5 EGBDMM CC/C=C(\C)[C@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226327875 1375241537 /nfs/dbraw/zinc/24/15/37/1375241537.db2.gz RZEGSJHLHWUPPQ-OANVXVOSSA-N -1 1 338.360 3.386 20 5 EGBDMM CCO[C@H](C)COc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227310612 1375419103 /nfs/dbraw/zinc/41/91/03/1375419103.db2.gz VXUTYSPUVDZIBU-SNVBAGLBSA-N -1 1 330.336 3.161 20 5 EGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCc2cccnc21 ZINC001228858679 1375695521 /nfs/dbraw/zinc/69/55/21/1375695521.db2.gz FVAMNIUWKSWGQH-VIFPVBQESA-N -1 1 341.245 3.176 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ncccc1F ZINC001228859245 1375696487 /nfs/dbraw/zinc/69/64/87/1375696487.db2.gz JPZIRTLYWNWFBE-ZCFIWIBFSA-N -1 1 347.224 3.388 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCOC[C@@H]3F)ccc12 ZINC001229514668 1375849859 /nfs/dbraw/zinc/84/98/59/1375849859.db2.gz LIXISMPIPPUFQU-LSDHHAIUSA-N -1 1 330.311 3.158 20 5 EGBDMM C=CC(=O)OC[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513820 1375850001 /nfs/dbraw/zinc/85/00/01/1375850001.db2.gz BKHSMAVMQDHLGC-LLVKDONJSA-N -1 1 340.331 3.148 20 5 EGBDMM CC(C)[C@H]1CCc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2C1 ZINC001158602929 1381314402 /nfs/dbraw/zinc/31/44/02/1381314402.db2.gz CBXNPEYBFNXBPC-VIFPVBQESA-N -1 1 334.401 3.393 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(-c2cccc(Cl)c2)n1 ZINC001318228651 1385632986 /nfs/dbraw/zinc/63/29/86/1385632986.db2.gz QYEDLFWYTBNVCV-UHFFFAOYSA-N -1 1 345.746 3.323 20 5 EGBDMM Cc1ccc([C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1F ZINC000822229554 1428770698 /nfs/dbraw/zinc/77/06/98/1428770698.db2.gz WYRQGCUMOGXGRT-SNVBAGLBSA-N -1 1 342.334 3.396 20 5 EGBDMM Cc1ccc([C@H](C)N(C)c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737320251 1429250782 /nfs/dbraw/zinc/25/07/82/1429250782.db2.gz JHSJMIOPFYRCGO-LBPRGKRZSA-N -1 1 338.371 3.281 20 5 EGBDMM CCS[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821453429 1426162909 /nfs/dbraw/zinc/16/29/09/1426162909.db2.gz AFSKCWVZEFLGTO-KGLIPLIRSA-N -1 1 348.432 3.251 20 5 EGBDMM Cc1ccc([C@@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737321750 1426219783 /nfs/dbraw/zinc/21/97/83/1426219783.db2.gz WELMGAHRUHKDLG-LBPRGKRZSA-N -1 1 338.371 3.299 20 5 EGBDMM O=[N+]([O-])c1cc(CSc2ccc(-c3nnn[n-]3)cc2F)cs1 ZINC000738360341 1426542713 /nfs/dbraw/zinc/54/27/13/1426542713.db2.gz OQPKZTCJIGOALN-UHFFFAOYSA-N -1 1 337.361 3.268 20 5 EGBDMM CCC[C@]1(C)CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821026718 1441801698 /nfs/dbraw/zinc/80/16/98/1441801698.db2.gz AJEFZKMNFXWKIV-MRXNPFEDSA-N -1 1 330.392 3.182 20 5 EGBDMM C[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@H]1C(=O)[O-] ZINC001589334905 953983264 /nfs/dbraw/zinc/98/32/64/953983264.db2.gz VAXUNPYGKSAVJF-NOZJJQNGSA-N -1 1 346.305 3.299 20 5 EGBDMM O=C([O-])[C@H](NCc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc(F)cc1 ZINC001605903440 972746138 /nfs/dbraw/zinc/74/61/38/972746138.db2.gz IUFFVGDLRLPMDY-CQSZACIVSA-N -1 1 338.722 3.303 20 5 EGBDMM CC[C@@H](C)N(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC001594979492 982770234 /nfs/dbraw/zinc/77/02/34/982770234.db2.gz SSUDFROPMHEOQV-SECBINFHSA-N -1 1 345.193 3.042 20 5 EGBDMM C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594272261 999052858 /nfs/dbraw/zinc/05/28/58/999052858.db2.gz ONCUYJWXVWQAJD-PXAZEXFGSA-N -1 1 341.367 3.271 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000352973613 141281236 /nfs/dbraw/zinc/28/12/36/141281236.db2.gz RUGLSGAGCBDPSN-HNNXBMFYSA-N -1 1 339.351 3.063 20 5 EGBDMM CC(C)(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187554497 144160886 /nfs/dbraw/zinc/16/08/86/144160886.db2.gz ASUUOAONONOWQL-AWEZNQCLSA-N -1 1 329.356 3.213 20 5 EGBDMM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337523490 154395721 /nfs/dbraw/zinc/39/57/21/154395721.db2.gz AMWVSTPBWNQGPT-UHFFFAOYSA-N -1 1 347.224 3.255 20 5 EGBDMM O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338931292 163391592 /nfs/dbraw/zinc/39/15/92/163391592.db2.gz JNJOCZJCNWATAC-UHFFFAOYSA-N -1 1 341.352 3.116 20 5 EGBDMM C[C@H](c1ccccc1)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000287937901 276170828 /nfs/dbraw/zinc/17/08/28/276170828.db2.gz RHSOCLNMGDCHGN-LLVKDONJSA-N -1 1 327.340 3.061 20 5 EGBDMM O=C(Nc1cc(F)ccc1[O-])c1ccc([N+](=O)[O-])c2cccnc12 ZINC000159372811 307872668 /nfs/dbraw/zinc/87/26/68/307872668.db2.gz BBXSKWGXZHTLJX-UHFFFAOYSA-N -1 1 327.271 3.240 20 5 EGBDMM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294463199 308222987 /nfs/dbraw/zinc/22/29/87/308222987.db2.gz HWPWLSFWJCCIPM-HOMQSWHASA-N -1 1 347.758 3.025 20 5 EGBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1[O-] ZINC000436821834 309776158 /nfs/dbraw/zinc/77/61/58/309776158.db2.gz QMAQEAMUEMWJQO-UHFFFAOYSA-N -1 1 336.347 3.426 20 5 EGBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000516784373 312341973 /nfs/dbraw/zinc/34/19/73/312341973.db2.gz WGOKKNSDGDUSSR-FOGDFJRCSA-N -1 1 346.836 3.351 20 5 EGBDMM Cc1cc(N(C)Cc2cc(C(C)(C)C)[nH]n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565423867 316322487 /nfs/dbraw/zinc/32/24/87/316322487.db2.gz RQEASQGDYPBMPR-UHFFFAOYSA-N -1 1 346.387 3.258 20 5 EGBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1[O-] ZINC000006584460 452956998 /nfs/dbraw/zinc/95/69/98/452956998.db2.gz QBANLACWAGKATG-UHFFFAOYSA-N -1 1 336.347 3.426 20 5 EGBDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000132606234 454350856 /nfs/dbraw/zinc/35/08/56/454350856.db2.gz YFDBOKXTYIATGH-UHFFFAOYSA-N -1 1 348.380 3.297 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c(Cl)c1 ZINC000047521624 454380861 /nfs/dbraw/zinc/38/08/61/454380861.db2.gz UYZZFVRWBLJDBM-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c(F)c1 ZINC000160936772 455515630 /nfs/dbraw/zinc/51/56/30/455515630.db2.gz HLJCZLZVPYGFKB-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CN(Cc1csc2ccccc12)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000192690632 455669571 /nfs/dbraw/zinc/66/95/71/455669571.db2.gz XBUANGGTTHINFG-UHFFFAOYSA-N -1 1 343.364 3.182 20 5 EGBDMM CCSc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000351525328 457301910 /nfs/dbraw/zinc/30/19/10/457301910.db2.gz RRQGDDITHKXVHY-SNVBAGLBSA-N -1 1 347.396 3.298 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@](C)(C(=O)[O-])C1 ZINC000573617296 459706123 /nfs/dbraw/zinc/70/61/23/459706123.db2.gz TZYPKKWCIQDHQH-QGZVFWFLSA-N -1 1 336.388 3.069 20 5 EGBDMM C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000593333746 459850537 /nfs/dbraw/zinc/85/05/37/459850537.db2.gz SZLZACFLQXRLCC-IAQYHMDHSA-N -1 1 330.340 3.292 20 5 EGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000186834069 535889205 /nfs/dbraw/zinc/88/92/05/535889205.db2.gz OCWCHBFXXHVQBR-LBPRGKRZSA-N -1 1 335.747 3.230 20 5 EGBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1csc2ccccc21 ZINC000730034766 574909276 /nfs/dbraw/zinc/90/92/76/574909276.db2.gz FIQHCLPQIZAKQA-VIFPVBQESA-N -1 1 343.364 3.401 20 5 EGBDMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742326154 576768802 /nfs/dbraw/zinc/76/88/02/576768802.db2.gz MEUJDPDHMPYOMQ-ZJUUUORDSA-N -1 1 334.825 3.351 20 5 EGBDMM C[C@@H](CCc1ccccc1)Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820254425 606644112 /nfs/dbraw/zinc/64/41/12/606644112.db2.gz PMTFZAOKRGJVNO-LBPRGKRZSA-N -1 1 338.371 3.208 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3cccnc32)c1 ZINC000014256462 1291139964 /nfs/dbraw/zinc/13/99/64/1291139964.db2.gz YOXSLEHHAABCMD-UHFFFAOYSA-N -1 1 347.327 3.083 20 5 EGBDMM Cc1cc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c(C)s1 ZINC000119486589 1293273341 /nfs/dbraw/zinc/27/33/41/1293273341.db2.gz YUVKAWYCESKNKG-QMMMGPOBSA-N -1 1 346.455 3.374 20 5 EGBDMM Cc1nonc1[N-]C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000119577040 1293278613 /nfs/dbraw/zinc/27/86/13/1293278613.db2.gz FDTOKKPLZPHIMJ-UHFFFAOYSA-N -1 1 340.295 3.331 20 5 EGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800149869 1310684877 /nfs/dbraw/zinc/68/48/77/1310684877.db2.gz WCGDWNHEBDJWJZ-UHFFFAOYSA-N -1 1 349.274 3.211 20 5 EGBDMM O=C([O-])CCN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000901973068 1317503903 /nfs/dbraw/zinc/50/39/03/1317503903.db2.gz WVNGXIYQVSOUKN-UHFFFAOYSA-N -1 1 333.171 3.341 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cn3cc(Br)ccc3n2)ccc1[O-] ZINC001210393678 1372341404 /nfs/dbraw/zinc/34/14/04/1372341404.db2.gz XWAXYMFBSXXPJB-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM CCCC[C@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226309702 1375236316 /nfs/dbraw/zinc/23/63/16/1375236316.db2.gz IKOLKXRRIOGVHK-JTQLQIEISA-N -1 1 326.349 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CCC=C(C)C ZINC001226309020 1375236419 /nfs/dbraw/zinc/23/64/19/1375236419.db2.gz CDIAKGJFLSYMDF-LLVKDONJSA-N -1 1 338.360 3.386 20 5 EGBDMM CCCCC[C@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226307110 1375236905 /nfs/dbraw/zinc/23/69/05/1375236905.db2.gz FJSGYTICCLKOAS-JTQLQIEISA-N -1 1 326.349 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC)C[C@H](C)CC ZINC001226311504 1375237674 /nfs/dbraw/zinc/23/76/74/1375237674.db2.gz XEVAYWQBGZKBAI-GHMZBOCLSA-N -1 1 340.376 3.466 20 5 EGBDMM Cc1ccc(C(=O)c2cc([O-])c(OC[C@@H]3CCO3)c([N+](=O)[O-])c2)cc1 ZINC001227700504 1375463254 /nfs/dbraw/zinc/46/32/54/1375463254.db2.gz VRLIHIKMYYLBRY-AWEZNQCLSA-N -1 1 343.335 3.008 20 5 EGBDMM O=c1[n-]c2nc(=O)[nH]c(Nc3nc4ccccc4c4ccccc43)c2[nH]1 ZINC001170223794 1384269164 /nfs/dbraw/zinc/26/91/64/1384269164.db2.gz PUMULLLLCADUDY-UHFFFAOYSA-N -1 1 344.334 3.161 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000823645107 1429404671 /nfs/dbraw/zinc/40/46/71/1429404671.db2.gz OAVKNLUVLOZROT-UHFFFAOYSA-N -1 1 335.682 3.360 20 5 EGBDMM COc1cc(F)c([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826179885 1425736970 /nfs/dbraw/zinc/73/69/70/1425736970.db2.gz JLFXSIVANCQODJ-UHFFFAOYSA-N -1 1 347.331 3.074 20 5 EGBDMM Cc1c(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000737211333 1426536954 /nfs/dbraw/zinc/53/69/54/1426536954.db2.gz LFJXOQXWYALLHU-UHFFFAOYSA-N -1 1 344.762 3.349 20 5 EGBDMM CC(C)(C)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000819958776 1441939888 /nfs/dbraw/zinc/93/98/88/1441939888.db2.gz PYGXLRMKZXANLG-UHFFFAOYSA-N -1 1 340.343 3.260 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368924 1442439191 /nfs/dbraw/zinc/43/91/91/1442439191.db2.gz FQSBWYWQBSWQER-IUODEOHRSA-N -1 1 328.376 3.156 20 5 EGBDMM O=[N+]([O-])c1ccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000738359056 1443457443 /nfs/dbraw/zinc/45/74/43/1443457443.db2.gz IWXHDCXHLOIKAV-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM C[C@H](Oc1ccc(-c2nnn[n-]2)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000820533057 1446543117 /nfs/dbraw/zinc/54/31/17/1446543117.db2.gz BNSOMWXGLVYFMV-VIFPVBQESA-N -1 1 329.291 3.054 20 5 EGBDMM C[C@H](C(=O)[O-])N(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC001602820390 971625142 /nfs/dbraw/zinc/62/51/42/971625142.db2.gz VBFHNKZIHUQUPA-SSDOTTSWSA-N -1 1 333.171 3.339 20 5 EGBDMM COc1cccc([C@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599658768 994623527 /nfs/dbraw/zinc/62/35/27/994623527.db2.gz DYMJTXVEZKKAOY-BZNIZROVSA-N -1 1 330.340 3.080 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CN[C@H](C(=O)[O-])c1cc(C)cc(C)c1 ZINC001599461804 998285510 /nfs/dbraw/zinc/28/55/10/998285510.db2.gz AVCUKLYVGRAMFN-KRWDZBQOSA-N -1 1 344.367 3.136 20 5 EGBDMM Cc1ccc(C(C)(C)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193633507 240244117 /nfs/dbraw/zinc/24/41/17/240244117.db2.gz MHWYGROPCQIPAT-UHFFFAOYSA-N -1 1 343.383 3.054 20 5 EGBDMM CCOCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000266636108 248391990 /nfs/dbraw/zinc/39/19/90/248391990.db2.gz JKBZMQPFAPYYNG-UHFFFAOYSA-N -1 1 347.371 3.037 20 5 EGBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000263439687 141049290 /nfs/dbraw/zinc/04/92/90/141049290.db2.gz VXWAFQRRENWLEI-OAHLLOKOSA-N -1 1 330.340 3.294 20 5 EGBDMM O=C([O-])CC[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000315241761 154156238 /nfs/dbraw/zinc/15/62/38/154156238.db2.gz UFGPNWFQFSZSPP-CYBMUJFWSA-N -1 1 326.780 3.468 20 5 EGBDMM Cc1cccc(C2(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCCC2)c1 ZINC000362108520 157028007 /nfs/dbraw/zinc/02/80/07/157028007.db2.gz DUEFAUYTALKOIB-UHFFFAOYSA-N -1 1 341.367 3.203 20 5 EGBDMM Cc1ccc(C)c([C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444863722 309932325 /nfs/dbraw/zinc/93/23/25/309932325.db2.gz YZCKEJBDOPEOML-LBPRGKRZSA-N -1 1 329.356 3.145 20 5 EGBDMM CC(C)c1ccc(C[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445134091 309936586 /nfs/dbraw/zinc/93/65/86/309936586.db2.gz ILGBYSLFWMIFFM-GFCCVEGCSA-N -1 1 343.383 3.180 20 5 EGBDMM O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc([O-])c(F)c4)no3)c2c1 ZINC000445469972 309941866 /nfs/dbraw/zinc/94/18/66/309941866.db2.gz CRQUSAMNHJVQLP-UHFFFAOYSA-N -1 1 341.258 3.033 20 5 EGBDMM CCOc1ccc2nc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)sc2c1 ZINC000505462578 312023234 /nfs/dbraw/zinc/02/32/34/312023234.db2.gz SCWFCQQOHWDKNJ-UHFFFAOYSA-N -1 1 332.341 3.184 20 5 EGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccccc1Cl ZINC000055547402 453993186 /nfs/dbraw/zinc/99/31/86/453993186.db2.gz XZJCDDRBROYSKN-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM O=C([N-]c1nc(Cc2ccccc2)ns1)c1csc([N+](=O)[O-])c1 ZINC000171732470 455090129 /nfs/dbraw/zinc/09/01/29/455090129.db2.gz FZGFBNNJOGBZFV-UHFFFAOYSA-N -1 1 346.393 3.351 20 5 EGBDMM O=C(Nc1nc(-c2ccc(O)cc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340290988 456366294 /nfs/dbraw/zinc/36/62/94/456366294.db2.gz NPMKGQQZEPSKKQ-UHFFFAOYSA-N -1 1 330.325 3.004 20 5 EGBDMM CC(C)(C)c1nc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2[nH]1 ZINC000340572563 456538475 /nfs/dbraw/zinc/53/84/75/456538475.db2.gz SCYOCJAWYWWMMW-UHFFFAOYSA-N -1 1 327.344 3.349 20 5 EGBDMM O=C(Nc1cc(-c2ccc(Cl)s2)[nH]n1)c1ccc([N+](=O)[O-])[n-]1 ZINC000339848988 457310934 /nfs/dbraw/zinc/31/09/34/457310934.db2.gz ZEPUKAUNJYCRQI-UHFFFAOYSA-N -1 1 337.748 3.280 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnc1N1CCCC[C@H]1C ZINC000357443496 457530789 /nfs/dbraw/zinc/53/07/89/457530789.db2.gz NLTDWPHZPZDFHT-GFCCVEGCSA-N -1 1 343.387 3.257 20 5 EGBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1[O-] ZINC000436597886 458341650 /nfs/dbraw/zinc/34/16/50/458341650.db2.gz XHWWELXACNAUEE-UHFFFAOYSA-N -1 1 336.347 3.426 20 5 EGBDMM COc1ccc(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])c([O-])c1 ZINC000442700205 459023978 /nfs/dbraw/zinc/02/39/78/459023978.db2.gz ORTPIWQBGVBRTB-UHFFFAOYSA-N -1 1 334.353 3.283 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(N4CCCCC4)ccn3)no2)[n-]1 ZINC000594533993 459081721 /nfs/dbraw/zinc/08/17/21/459081721.db2.gz YSKPARPAUFMPJX-UHFFFAOYSA-N -1 1 340.343 3.025 20 5 EGBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000500100310 459665116 /nfs/dbraw/zinc/66/51/16/459665116.db2.gz RZLGHORRFPDJFV-SCVCMEIPSA-N -1 1 346.836 3.351 20 5 EGBDMM COc1ccc([C@@H](C)N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000593732403 459967599 /nfs/dbraw/zinc/96/75/99/459967599.db2.gz KWLRJLNJNFXAFL-GFCCVEGCSA-N -1 1 344.367 3.495 20 5 EGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000588946938 460008373 /nfs/dbraw/zinc/00/83/73/460008373.db2.gz IZDBQVJCKBQKRL-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731459423 575074494 /nfs/dbraw/zinc/07/44/94/575074494.db2.gz LNUVEFPCAJUCFK-UHFFFAOYSA-N -1 1 341.201 3.173 20 5 EGBDMM O=[N+]([O-])c1cnc([N-]c2ccn(Cc3ccccn3)n2)c(Cl)c1 ZINC000736286155 575927926 /nfs/dbraw/zinc/92/79/26/575927926.db2.gz GIAYHPZDBMHPMO-UHFFFAOYSA-N -1 1 330.735 3.027 20 5 EGBDMM CC(C)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820196857 607162235 /nfs/dbraw/zinc/16/22/35/607162235.db2.gz DQNSAEUDLMFELC-UHFFFAOYSA-N -1 1 326.316 3.086 20 5 EGBDMM CC(C)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820196857 607162236 /nfs/dbraw/zinc/16/22/36/607162236.db2.gz DQNSAEUDLMFELC-UHFFFAOYSA-N -1 1 326.316 3.086 20 5 EGBDMM CC/C=C\C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000832059100 1292950754 /nfs/dbraw/zinc/95/07/54/1292950754.db2.gz KBGIBSLIHNVPGN-ARJAWSKDSA-N -1 1 339.200 3.146 20 5 EGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]n1 ZINC000120046944 1293300080 /nfs/dbraw/zinc/30/00/80/1293300080.db2.gz SMFJOFGAXUPTMQ-MRVPVSSYSA-N -1 1 344.418 3.084 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)cc([N+](=O)[O-])c1F ZINC000154294832 1294049333 /nfs/dbraw/zinc/04/93/33/1294049333.db2.gz PRIHXPHBFLMBNX-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc([C@H]2CCCO2)n1 ZINC000165076444 1294355639 /nfs/dbraw/zinc/35/56/39/1294355639.db2.gz JEUIQVDZMFSTKF-GFCCVEGCSA-N -1 1 337.332 3.294 20 5 EGBDMM CCc1ccc(C(=O)N2CCc3cc(C)c([N+](=O)[O-])cc32)c([O-])c1 ZINC000787212768 1305707490 /nfs/dbraw/zinc/70/74/90/1305707490.db2.gz FEPWXYKHDOUTQI-UHFFFAOYSA-N -1 1 326.352 3.374 20 5 EGBDMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809814938 1317906787 /nfs/dbraw/zinc/90/67/87/1317906787.db2.gz HUQSNQKZMVQDCV-UHFFFAOYSA-N -1 1 338.788 3.100 20 5 EGBDMM C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000928381445 1328297800 /nfs/dbraw/zinc/29/78/00/1328297800.db2.gz CPYWSJKWKVDOHC-DOMZBBRYSA-N -1 1 341.367 3.104 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2nccnc2OCc2ccccc2)ccc1[O-] ZINC001210392328 1372340571 /nfs/dbraw/zinc/34/05/71/1372340571.db2.gz BKFCWXHWWIVUBW-UHFFFAOYSA-N -1 1 338.323 3.413 20 5 EGBDMM CCOC(=O)c1cnc(Cl)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393531 1372341237 /nfs/dbraw/zinc/34/12/37/1372341237.db2.gz DXRUANVFKOOADN-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM CCOC(=O)c1cc(Cl)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393769 1372341417 /nfs/dbraw/zinc/34/14/17/1372341417.db2.gz IJBCZMWNCVZKMJ-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM C[C@@H]1CCc2sc(Nc3ccc([O-])c([N+](=O)[O-])c3)c(C(N)=O)c2C1 ZINC001210396404 1372342224 /nfs/dbraw/zinc/34/22/24/1372342224.db2.gz QWUGRKDSAZYTNG-MRVPVSSYSA-N -1 1 347.396 3.329 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001212893291 1372791496 /nfs/dbraw/zinc/79/14/96/1372791496.db2.gz WDIZHRVQVDMDPI-UHFFFAOYSA-N -1 1 340.343 3.025 20 5 EGBDMM C[C@@H](c1ccccn1)N1CCC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225626855 1375134749 /nfs/dbraw/zinc/13/47/49/1375134749.db2.gz WSVYVAKYRMAAMO-KBPBESRZSA-N -1 1 343.383 3.300 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ccccc1 ZINC001226307744 1375236591 /nfs/dbraw/zinc/23/65/91/1375236591.db2.gz PFSJIJBSJBMZPT-JTQLQIEISA-N -1 1 332.312 3.012 20 5 EGBDMM CCOC[C@H](C)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306784 1375418101 /nfs/dbraw/zinc/41/81/01/1375418101.db2.gz NHQBBLAZHTZPPB-JTQLQIEISA-N -1 1 330.336 3.161 20 5 EGBDMM O=[N+]([O-])C[C@H](Oc1cc([O-])c(Cl)cc1Cl)c1cccnc1 ZINC001229412155 1375829828 /nfs/dbraw/zinc/82/98/28/1375829828.db2.gz ZIOSEPWBPUJZHO-ZDUSSCGKSA-N -1 1 329.139 3.491 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCn4ccnc43)ccc12 ZINC001229515752 1375849850 /nfs/dbraw/zinc/84/98/50/1375849850.db2.gz FLYHPGMFUATSTD-OAHLLOKOSA-N -1 1 334.331 3.372 20 5 EGBDMM CCO[C@H](C)COc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229807016 1375897041 /nfs/dbraw/zinc/89/70/41/1375897041.db2.gz YNZUVTBKGHNYJE-SNVBAGLBSA-N -1 1 330.336 3.161 20 5 EGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3c([nH]2)c(F)c(F)c(F)c3F)c1 ZINC001251389218 1377085392 /nfs/dbraw/zinc/08/53/92/1377085392.db2.gz CJQUBCUMDJBBJA-UHFFFAOYSA-N -1 1 327.193 3.400 20 5 EGBDMM COc1ncnc([N-][C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001159762926 1381892984 /nfs/dbraw/zinc/89/29/84/1381892984.db2.gz BYBBBSZKMQYGSK-JTQLQIEISA-N -1 1 328.250 3.109 20 5 EGBDMM Cc1nc2ccc(F)cn2c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678480 1385656186 /nfs/dbraw/zinc/65/61/86/1385656186.db2.gz QKUNLRUYNJALQO-UHFFFAOYSA-N -1 1 330.275 3.132 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2ccccc2-c2nnn[n-]2)cc1OC(F)F ZINC000826499544 1423908415 /nfs/dbraw/zinc/90/84/15/1423908415.db2.gz MSJSAMMEWVMRFM-UHFFFAOYSA-N -1 1 349.253 3.169 20 5 EGBDMM CSc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000821983420 1425838983 /nfs/dbraw/zinc/83/89/83/1425838983.db2.gz HNDKVVKYDPKEGC-UHFFFAOYSA-N -1 1 328.357 3.240 20 5 EGBDMM COc1cc(CSc2ccccc2-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC000826180237 1426688573 /nfs/dbraw/zinc/68/85/73/1426688573.db2.gz YVQQKFYJEMCOSX-UHFFFAOYSA-N -1 1 343.368 3.076 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000823648040 1427561529 /nfs/dbraw/zinc/56/15/29/1427561529.db2.gz SFZYYXSAHJQBJM-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM C[C@@H](Sc1cc(-c2nnn[n-]2)ccn1)c1ccccc1[N+](=O)[O-] ZINC000820548663 1429883173 /nfs/dbraw/zinc/88/31/73/1429883173.db2.gz DYISCPYIZYXHNZ-SECBINFHSA-N -1 1 328.357 3.023 20 5 EGBDMM Cc1cc(C)cc(CSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000822196297 1429948761 /nfs/dbraw/zinc/94/87/61/1429948761.db2.gz CZGICCKDLQBORB-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM O=C([O-])CCC1CCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000854240994 955906275 /nfs/dbraw/zinc/90/62/75/955906275.db2.gz HAGUDWZYTNNXCM-UHFFFAOYSA-N -1 1 326.780 3.325 20 5 EGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2cc(C(=O)[O-])ccc2C1 ZINC001593716725 996232331 /nfs/dbraw/zinc/23/23/31/996232331.db2.gz BVUGALRFOKFKBP-LBPRGKRZSA-N -1 1 326.352 3.412 20 5 EGBDMM O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000347901659 141212391 /nfs/dbraw/zinc/21/23/91/141212391.db2.gz OIKMZEHIISMOEA-UHFFFAOYSA-N -1 1 349.306 3.378 20 5 EGBDMM Cc1ccccc1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119506972 152210393 /nfs/dbraw/zinc/21/03/93/152210393.db2.gz WFVMBROEPAHDQS-UHFFFAOYSA-N -1 1 340.788 3.035 20 5 EGBDMM Cc1onc(-c2ccncc2)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000119521817 152211224 /nfs/dbraw/zinc/21/12/24/152211224.db2.gz QNFKPWICYYNYBI-UHFFFAOYSA-N -1 1 342.286 3.345 20 5 EGBDMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187025953 153006984 /nfs/dbraw/zinc/00/69/84/153006984.db2.gz YTIVLPXUCIGSIF-GFCCVEGCSA-N -1 1 343.383 3.182 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)s1 ZINC000344060406 164094254 /nfs/dbraw/zinc/09/42/54/164094254.db2.gz MUYWONUMGDPMNG-UHFFFAOYSA-N -1 1 332.341 3.397 20 5 EGBDMM O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000354940747 166069703 /nfs/dbraw/zinc/06/97/03/166069703.db2.gz PVVKKAJULURATA-UHFFFAOYSA-N -1 1 338.323 3.149 20 5 EGBDMM CC1CCN(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)CC1 ZINC000352093289 165232034 /nfs/dbraw/zinc/23/20/34/165232034.db2.gz OHWXNVARWULFFX-UHFFFAOYSA-N -1 1 328.372 3.412 20 5 EGBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000193537891 266040953 /nfs/dbraw/zinc/04/09/53/266040953.db2.gz MEVUNEJPJFQXKC-UHFFFAOYSA-N -1 1 349.774 3.056 20 5 EGBDMM CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])N(C)Cc1ccccc1 ZINC000339351937 280082926 /nfs/dbraw/zinc/08/29/26/280082926.db2.gz FQVXTZCMLMBQLV-INIZCTEOSA-N -1 1 343.383 3.150 20 5 EGBDMM O=C(c1ccc([O-])cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000372210745 304526905 /nfs/dbraw/zinc/52/69/05/304526905.db2.gz IGZUUQACBHXANA-UHFFFAOYSA-N -1 1 326.352 3.400 20 5 EGBDMM C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000600673133 460563871 /nfs/dbraw/zinc/56/38/71/460563871.db2.gz CTFDTBGXDZTQCQ-AOOOYVTPSA-N -1 1 328.315 3.016 20 5 EGBDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000600673133 460563876 /nfs/dbraw/zinc/56/38/76/460563876.db2.gz CTFDTBGXDZTQCQ-AOOOYVTPSA-N -1 1 328.315 3.016 20 5 EGBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccccc1[N+](=O)[O-] ZINC000042090723 453992806 /nfs/dbraw/zinc/99/28/06/453992806.db2.gz QKNSRFSJHPPKEE-UHFFFAOYSA-N -1 1 326.337 3.366 20 5 EGBDMM Cc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)s1 ZINC000188284367 456035477 /nfs/dbraw/zinc/03/54/77/456035477.db2.gz FQYCORXUBHCZAY-UHFFFAOYSA-N -1 1 335.385 3.116 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)cc1[N+](=O)[O-] ZINC000323880555 456657798 /nfs/dbraw/zinc/65/77/98/456657798.db2.gz VJKGBHFDPPXOAZ-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000361861715 457915648 /nfs/dbraw/zinc/91/56/48/457915648.db2.gz GDBDRLAYJBZYBG-NSHDSACASA-N -1 1 341.367 3.065 20 5 EGBDMM COc1ccc([O-])c(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c1 ZINC000436952281 458412500 /nfs/dbraw/zinc/41/25/00/458412500.db2.gz WDHOOSSGVUCPGG-UHFFFAOYSA-N -1 1 341.323 3.258 20 5 EGBDMM CCOC(=O)Nc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000495356809 458841058 /nfs/dbraw/zinc/84/10/58/458841058.db2.gz GZOWNLILIGVQJD-UHFFFAOYSA-N -1 1 343.299 3.208 20 5 EGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594734442 459145019 /nfs/dbraw/zinc/14/50/19/459145019.db2.gz ZUMFUPQQIFQTSZ-MXWKQRLJSA-N -1 1 346.305 3.241 20 5 EGBDMM CCOc1cc(CN(C)Cc2ccc(C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000569251675 459422304 /nfs/dbraw/zinc/42/23/04/459422304.db2.gz WCCZRLXWBOPBNI-UHFFFAOYSA-N -1 1 344.367 3.324 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000542735674 459586375 /nfs/dbraw/zinc/58/63/75/459586375.db2.gz RSKHSVYDPHQUCY-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCSCc1cc(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])no1 ZINC000184819123 529197829 /nfs/dbraw/zinc/19/78/29/529197829.db2.gz HRWMSKPXPXKQGC-UHFFFAOYSA-N -1 1 337.357 3.097 20 5 EGBDMM CC(C)c1cccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000820197165 607162201 /nfs/dbraw/zinc/16/22/01/607162201.db2.gz GYKDNFFFSHJAJX-UHFFFAOYSA-N -1 1 325.332 3.037 20 5 EGBDMM CC(C)c1cccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000820197165 607162202 /nfs/dbraw/zinc/16/22/02/607162202.db2.gz GYKDNFFFSHJAJX-UHFFFAOYSA-N -1 1 325.332 3.037 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(Cl)c2)ccc1F ZINC000007405662 1291073216 /nfs/dbraw/zinc/07/32/16/1291073216.db2.gz YWTMSHHRSWHIDM-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000014256029 1291139832 /nfs/dbraw/zinc/13/98/32/1291139832.db2.gz YYTQKYGDBCEOCK-UHFFFAOYSA-N -1 1 338.360 3.487 20 5 EGBDMM CC(C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000874698717 1298042944 /nfs/dbraw/zinc/04/29/44/1298042944.db2.gz KGJPYFVNXOLNPP-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM O=C(OCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000773570082 1303708819 /nfs/dbraw/zinc/70/88/19/1303708819.db2.gz MPTNJVYZKFTQTP-UHFFFAOYSA-N -1 1 325.679 3.450 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)s1 ZINC000788217825 1305897449 /nfs/dbraw/zinc/89/74/49/1305897449.db2.gz VYBKSQNTMSLEDE-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM CO[C@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000800991900 1310849015 /nfs/dbraw/zinc/84/90/15/1310849015.db2.gz CQFRSLSGMSMXDE-ZCFIWIBFSA-N -1 1 342.764 3.059 20 5 EGBDMM O=C(OCc1c(F)cc([N+](=O)[O-])cc1F)c1ccc([O-])cc1F ZINC000803417171 1317123371 /nfs/dbraw/zinc/12/33/71/1317123371.db2.gz CUULFCVWBLPZPY-UHFFFAOYSA-N -1 1 327.214 3.075 20 5 EGBDMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809809800 1317905773 /nfs/dbraw/zinc/90/57/73/1317905773.db2.gz AEUIWYXBWAARNN-SFYZADRCSA-N -1 1 338.788 3.100 20 5 EGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC=CCC1 ZINC000815001568 1318864916 /nfs/dbraw/zinc/86/49/16/1318864916.db2.gz PDKNQNMRRBSDGS-VIFPVBQESA-N -1 1 348.783 3.022 20 5 EGBDMM Cc1ccc(C)c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000848525540 1321969163 /nfs/dbraw/zinc/96/91/63/1321969163.db2.gz PSAKGWRZUPIGAY-UHFFFAOYSA-N -1 1 344.392 3.260 20 5 EGBDMM COc1ccc(Cn2nccc2Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210393023 1372341568 /nfs/dbraw/zinc/34/15/68/1372341568.db2.gz LQLFUZOMSRDYCO-UHFFFAOYSA-N -1 1 340.339 3.297 20 5 EGBDMM COc1ccccc1-n1nccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396560 1372342462 /nfs/dbraw/zinc/34/24/62/1372342462.db2.gz UWTQKAFDKQFQFP-UHFFFAOYSA-N -1 1 326.312 3.238 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(C(F)(F)F)c2F)no1 ZINC001212893017 1372791150 /nfs/dbraw/zinc/79/11/50/1372791150.db2.gz ITANBBJZWXKIJW-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM C[C@H](c1ccccn1)N1CCC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225626861 1375134692 /nfs/dbraw/zinc/13/46/92/1375134692.db2.gz WSVYVAKYRMAAMO-ZIAGYGMSSA-N -1 1 343.383 3.300 20 5 EGBDMM O=C(c1ccc([O-])cc1)c1ccc(O[C@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001225808727 1375158580 /nfs/dbraw/zinc/15/85/80/1375158580.db2.gz RDAAAZAYQHTJIA-QGZVFWFLSA-N -1 1 327.336 3.057 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC(C)C)C(C)C ZINC001226310682 1375237316 /nfs/dbraw/zinc/23/73/16/1375237316.db2.gz PYPGYWSPMKGYJO-GFCCVEGCSA-N -1 1 340.376 3.322 20 5 EGBDMM O=[N+]([O-])c1ccccc1[C@@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228636488 1375623452 /nfs/dbraw/zinc/62/34/52/1375623452.db2.gz NIPIKDFYVQVLEZ-HNNXBMFYSA-N -1 1 340.364 3.237 20 5 EGBDMM Cc1nc(OC2CC(c3ccccc3Cl)C2)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229382971 1375823454 /nfs/dbraw/zinc/82/34/54/1375823454.db2.gz XZTCECSZMPCSKH-UHFFFAOYSA-N -1 1 335.747 3.377 20 5 EGBDMM Cc1ccc(N2CCC[C@@H](Oc3cc([N+](=O)[O-])c(C)cc3[O-])C2)nc1 ZINC001229755672 1375887799 /nfs/dbraw/zinc/88/77/99/1375887799.db2.gz ZKEBAWAUYDPNBK-CQSZACIVSA-N -1 1 343.383 3.360 20 5 EGBDMM O=[N+]([O-])c1cnc(Cl)nc1[N-][C@H](c1cccnc1)C(F)(F)F ZINC001156153014 1380531571 /nfs/dbraw/zinc/53/15/71/1380531571.db2.gz BELKAXZZDYYPLC-MRVPVSSYSA-N -1 1 333.657 3.149 20 5 EGBDMM Cc1nc(Cl)c([N+](=O)[O-])c([N-][C@H](c2cccnc2)C(F)(F)F)n1 ZINC001156154209 1380532164 /nfs/dbraw/zinc/53/21/64/1380532164.db2.gz DVYLPTWCSMQMBH-SECBINFHSA-N -1 1 347.684 3.457 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2ncc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826498046 1423373722 /nfs/dbraw/zinc/37/37/22/1423373722.db2.gz FLPYFXGZXPTQOW-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c(C)c1 ZINC000735500014 1424010215 /nfs/dbraw/zinc/01/02/15/1424010215.db2.gz VXZIUHFSDINKJM-UHFFFAOYSA-N -1 1 339.311 3.078 20 5 EGBDMM O=[N+]([O-])c1cc(COc2ccc(-c3nnn[n-]3)cc2F)ccc1Cl ZINC000823634518 1429744355 /nfs/dbraw/zinc/74/43/55/1429744355.db2.gz JFXFCYYBXWAGON-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CN(Cc1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821613287 1426502576 /nfs/dbraw/zinc/50/25/76/1426502576.db2.gz GXHRGZKYQIMAJW-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM C[C@H]1Cc2ccccc2[C@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736296518 1427477311 /nfs/dbraw/zinc/47/73/11/1427477311.db2.gz IRSNPHVBJLCQLU-QFYYESIMSA-N -1 1 336.355 3.120 20 5 EGBDMM CCC[C@@H](Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccn1 ZINC000736435765 1427928265 /nfs/dbraw/zinc/92/82/65/1427928265.db2.gz MIXFQZBCJCZLDW-OAHLLOKOSA-N -1 1 339.359 3.123 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823639512 1443720509 /nfs/dbraw/zinc/72/05/09/1443720509.db2.gz BOVDNQQSPKCSSD-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM C[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593205146 994209179 /nfs/dbraw/zinc/20/91/79/994209179.db2.gz XZNJOMRXWILGTK-STQMWFEESA-N -1 1 344.367 3.470 20 5 EGBDMM C[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593298511 994715976 /nfs/dbraw/zinc/71/59/76/994715976.db2.gz KGKGONPOIBABFK-LLVKDONJSA-N -1 1 348.330 3.048 20 5 EGBDMM CC1CCN(CCNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC001594423164 999578033 /nfs/dbraw/zinc/57/80/33/999578033.db2.gz NKHSWPGEUYAEFU-UHFFFAOYSA-N -1 1 341.795 3.090 20 5 EGBDMM CC(C)C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000262689391 245122353 /nfs/dbraw/zinc/12/23/53/245122353.db2.gz FRBFJDMDWUSSIX-HNNXBMFYSA-N -1 1 332.356 3.444 20 5 EGBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000354577794 141309447 /nfs/dbraw/zinc/30/94/47/141309447.db2.gz KNXKWZZLVGXJSC-NXEZZACHSA-N -1 1 332.809 3.105 20 5 EGBDMM Cc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000005756067 275117071 /nfs/dbraw/zinc/11/70/71/275117071.db2.gz STTPDHACYGNQIS-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CCCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1 ZINC000341566812 276294915 /nfs/dbraw/zinc/29/49/15/276294915.db2.gz QDGKZQAZQOAHTL-UHFFFAOYSA-N -1 1 339.355 3.313 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000132872843 307663991 /nfs/dbraw/zinc/66/39/91/307663991.db2.gz CTOFMNGXJFGJMQ-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298863578 308645311 /nfs/dbraw/zinc/64/53/11/308645311.db2.gz UAELQHJLENJMDG-UHFFFAOYSA-N -1 1 339.355 3.251 20 5 EGBDMM Cc1ccc(NC(=O)C(C)(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000264810194 455286198 /nfs/dbraw/zinc/28/61/98/455286198.db2.gz DKOINZFZXSCTEZ-UHFFFAOYSA-N -1 1 344.371 3.468 20 5 EGBDMM CCCc1cc(=O)[n-]c(SCc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000083090542 453938433 /nfs/dbraw/zinc/93/84/33/453938433.db2.gz NAPFWMRVIWALQS-UHFFFAOYSA-N -1 1 346.368 3.064 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000135604074 454693061 /nfs/dbraw/zinc/69/30/61/454693061.db2.gz JDAAMLPZJGJQLQ-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cccc1[N+](=O)[O-] ZINC000135664908 454697149 /nfs/dbraw/zinc/69/71/49/454697149.db2.gz LCMXWSDLSHYPKO-JTQLQIEISA-N -1 1 348.380 3.027 20 5 EGBDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185697455 455599125 /nfs/dbraw/zinc/59/91/25/455599125.db2.gz LVMMAILJKDJGKS-TZMCWYRMSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185697440 455599664 /nfs/dbraw/zinc/59/96/64/455599664.db2.gz LVMMAILJKDJGKS-JSGCOSHPSA-N -1 1 341.367 3.022 20 5 EGBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCc2ccccc21 ZINC000277772074 455661151 /nfs/dbraw/zinc/66/11/51/455661151.db2.gz SKGBCFBQULNQLZ-OAHLLOKOSA-N -1 1 341.367 3.235 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NCC1CC1 ZINC000301283888 456081382 /nfs/dbraw/zinc/08/13/82/456081382.db2.gz URVQHIWFPIAARS-UHFFFAOYSA-N -1 1 347.396 3.218 20 5 EGBDMM CC(C)c1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000189092371 456224628 /nfs/dbraw/zinc/22/46/28/456224628.db2.gz JLTNFDOPQNRAIH-UHFFFAOYSA-N -1 1 343.265 3.107 20 5 EGBDMM CC[C@H]1C[C@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000337586238 456402751 /nfs/dbraw/zinc/40/27/51/456402751.db2.gz AGRWHUKFFNFMCW-SCLBCKFNSA-N -1 1 341.367 3.059 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(Cc2cccnc2)CC1 ZINC000339064907 456923434 /nfs/dbraw/zinc/92/34/34/456923434.db2.gz XFFKFKIPGCQKAT-UHFFFAOYSA-N -1 1 327.384 3.150 20 5 EGBDMM O=C(N[C@H](c1ccccc1)C1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361900917 457943501 /nfs/dbraw/zinc/94/35/01/457943501.db2.gz JCVIYJYDNSSWEY-MRXNPFEDSA-N -1 1 341.367 3.357 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)c(C)c1[N+](=O)[O-] ZINC000598734853 460011537 /nfs/dbraw/zinc/01/15/37/460011537.db2.gz PMBTXJSTOKQPIL-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM CCc1nc(SCc2cc([N+](=O)[O-])ccc2OC)[n-]c(=O)c1C ZINC000576292273 460110973 /nfs/dbraw/zinc/11/09/73/460110973.db2.gz JKCDJUJPJMLUKY-UHFFFAOYSA-N -1 1 335.385 3.262 20 5 EGBDMM CC[C@@](NCc1cc(F)ccc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC000736915031 576059685 /nfs/dbraw/zinc/05/96/85/576059685.db2.gz BJGWLOIHDRAXRE-KRWDZBQOSA-N -1 1 332.331 3.214 20 5 EGBDMM O=C([O-])C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000821510490 598120079 /nfs/dbraw/zinc/12/00/79/598120079.db2.gz GBKBISRMGQRCCT-UHFFFAOYSA-N -1 1 347.396 3.015 20 5 EGBDMM O=C([O-])[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000263414562 604528028 /nfs/dbraw/zinc/52/80/28/604528028.db2.gz MRIBOJXODNWCPY-AWEZNQCLSA-N -1 1 332.381 3.372 20 5 EGBDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([N+](=O)[O-])c1 ZINC000031665923 1291373263 /nfs/dbraw/zinc/37/32/63/1291373263.db2.gz NMNDVXCNYZEKBZ-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CCC[C@@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809805275 1317905604 /nfs/dbraw/zinc/90/56/04/1317905604.db2.gz SSIYPCIJDHNNGT-SSDOTTSWSA-N -1 1 341.216 3.369 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]C2CCCC2)c(Cl)cc1Cl ZINC000791417401 1308988822 /nfs/dbraw/zinc/98/88/22/1308988822.db2.gz BQRAMTBMYXCMDC-UHFFFAOYSA-N -1 1 339.200 3.123 20 5 EGBDMM COc1ccc(C(=O)N2CCCCc3ccc([N+](=O)[O-])cc32)c([O-])c1 ZINC000857665936 1328580007 /nfs/dbraw/zinc/58/00/07/1328580007.db2.gz QMCBDSYVXYBUOA-UHFFFAOYSA-N -1 1 342.351 3.292 20 5 EGBDMM Cc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C(=O)OC(C)(C)C)n1 ZINC001210392917 1372341505 /nfs/dbraw/zinc/34/15/05/1372341505.db2.gz PMOKSAPWIAPXJI-UHFFFAOYSA-N -1 1 334.332 3.332 20 5 EGBDMM O=c1cc[n-]c(O[C@@H]2CC[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225664709 1375140532 /nfs/dbraw/zinc/14/05/32/1375140532.db2.gz RLUCVAOFFNGQEK-UONOGXRCSA-N -1 1 330.340 3.212 20 5 EGBDMM COC(C)(C)C[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228858712 1375696177 /nfs/dbraw/zinc/69/61/77/1375696177.db2.gz GIRWJFYBLIAMDV-ZETCQYMHSA-N -1 1 338.282 3.297 20 5 EGBDMM CCCC(=O)c1ccc([O-])cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001233650078 1376691948 /nfs/dbraw/zinc/69/19/48/1376691948.db2.gz GLGHNUWZYJRYEF-NSHDSACASA-N -1 1 347.371 3.256 20 5 EGBDMM CC(C)[C@@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124830 1376771680 /nfs/dbraw/zinc/77/16/80/1376771680.db2.gz LNULLJCKXKTAIU-SECBINFHSA-N -1 1 330.336 3.486 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000823639639 1426863479 /nfs/dbraw/zinc/86/34/79/1426863479.db2.gz FCGBCXASGVJEGC-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM Cc1cccc([C@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC001605331046 973210720 /nfs/dbraw/zinc/21/07/20/973210720.db2.gz UJSYKDWKCCAQLJ-HNNXBMFYSA-N -1 1 334.759 3.472 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593205144 994210026 /nfs/dbraw/zinc/21/00/26/994210026.db2.gz XZNJOMRXWILGTK-OLZOCXBDSA-N -1 1 344.367 3.470 20 5 EGBDMM COc1ccc(C(=O)[O-])cc1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001599500145 997101475 /nfs/dbraw/zinc/10/14/75/997101475.db2.gz FNSYILNKSLMZDH-NSHDSACASA-N -1 1 330.340 3.152 20 5 EGBDMM CC(C)C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-] ZINC000262715225 245139660 /nfs/dbraw/zinc/13/96/60/245139660.db2.gz RMRAKJZHYREXLP-OAHLLOKOSA-N -1 1 332.356 3.444 20 5 EGBDMM O=C([O-])C1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1 ZINC000263522092 141056221 /nfs/dbraw/zinc/05/62/21/141056221.db2.gz RKHNUHIXCVMABT-UHFFFAOYSA-N -1 1 336.731 3.025 20 5 EGBDMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000350800429 141267472 /nfs/dbraw/zinc/26/74/72/141267472.db2.gz DTKMGIHPMGHSKU-SECBINFHSA-N -1 1 332.809 3.105 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000112850696 307473855 /nfs/dbraw/zinc/47/38/55/307473855.db2.gz KKGSDTFBNWJALE-UHFFFAOYSA-N -1 1 345.380 3.439 20 5 EGBDMM Cc1cc(Br)c([O-])c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000295088711 308289957 /nfs/dbraw/zinc/28/99/57/308289957.db2.gz RYPOURDSAHSJOM-UHFFFAOYSA-N -1 1 345.193 3.237 20 5 EGBDMM CC(C)(C)C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000412821505 309004572 /nfs/dbraw/zinc/00/45/72/309004572.db2.gz KHJDHHSOBUUETP-GFCCVEGCSA-N -1 1 335.404 3.372 20 5 EGBDMM CC1(C)[C@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000422067502 309353724 /nfs/dbraw/zinc/35/37/24/309353724.db2.gz OBHFIGFJPVBEHU-AWEZNQCLSA-N -1 1 341.367 3.104 20 5 EGBDMM O=[N+]([O-])c1cccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445483109 309942307 /nfs/dbraw/zinc/94/23/07/309942307.db2.gz VLCOFZPSNWEGLF-UHFFFAOYSA-N -1 1 331.259 3.069 20 5 EGBDMM O=C([O-])c1cnc(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000600675451 460565535 /nfs/dbraw/zinc/56/55/35/460565535.db2.gz SEWVPIMYVQQMAL-UHFFFAOYSA-N -1 1 347.396 3.129 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000000560020 452623819 /nfs/dbraw/zinc/62/38/19/452623819.db2.gz RNUGYAMXCLOXGV-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000031665427 453851523 /nfs/dbraw/zinc/85/15/23/453851523.db2.gz MKKDLQPVAHDYFC-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CCCCc1nnc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])s1 ZINC000067298072 453920024 /nfs/dbraw/zinc/92/00/24/453920024.db2.gz KOZBTYGZEZGIAO-UHFFFAOYSA-N -1 1 336.373 3.050 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cccc1[N+](=O)[O-] ZINC000135664946 454697208 /nfs/dbraw/zinc/69/72/08/454697208.db2.gz LCMXWSDLSHYPKO-SNVBAGLBSA-N -1 1 348.380 3.027 20 5 EGBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc([N+](=O)[O-])cc1F ZINC000184912122 455471230 /nfs/dbraw/zinc/47/12/30/455471230.db2.gz BHZKGGWYZPPEKI-UHFFFAOYSA-N -1 1 333.323 3.083 20 5 EGBDMM Cc1ccc([C@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)c1 ZINC000277671217 455630188 /nfs/dbraw/zinc/63/01/88/455630188.db2.gz DQDLXPFXZFOKOV-LBPRGKRZSA-N -1 1 329.356 3.145 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1c1ccccc1 ZINC000277945710 455717188 /nfs/dbraw/zinc/71/71/88/455717188.db2.gz CFEZKSVOAYQFCS-CQSZACIVSA-N -1 1 327.340 3.063 20 5 EGBDMM C[C@H]1C[C@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000337574168 456391399 /nfs/dbraw/zinc/39/13/99/456391399.db2.gz GGOSOGDSIQIDCH-XXFAHNHDSA-N -1 1 347.758 3.014 20 5 EGBDMM C[C@@H]1C[C@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000337574167 456391553 /nfs/dbraw/zinc/39/15/53/456391553.db2.gz GGOSOGDSIQIDCH-JDNHERCYSA-N -1 1 347.758 3.014 20 5 EGBDMM Cc1c(Cc2noc(-c3ccc([O-])cc3F)n2)cccc1[N+](=O)[O-] ZINC000436691606 458361167 /nfs/dbraw/zinc/36/11/67/458361167.db2.gz UYBOECLGEOEHDJ-UHFFFAOYSA-N -1 1 329.287 3.389 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000377057876 458451164 /nfs/dbraw/zinc/45/11/64/458451164.db2.gz TWNIXKXJTUXDIE-XVJNWHFHSA-N -1 1 339.351 3.013 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN(CCC(=O)[O-])Cc1ccccc1 ZINC000595280371 459266197 /nfs/dbraw/zinc/26/61/97/459266197.db2.gz FKTJMAKCLMAFKT-UHFFFAOYSA-N -1 1 344.367 3.080 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000574039392 459771875 /nfs/dbraw/zinc/77/18/75/459771875.db2.gz OTECGERLHBBYQN-CHWSQXEVSA-N -1 1 336.388 3.067 20 5 EGBDMM O=C([O-])C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593744849 459972889 /nfs/dbraw/zinc/97/28/89/459972889.db2.gz LNGNDJKJKBSYEH-LLVKDONJSA-N -1 1 346.305 3.443 20 5 EGBDMM Cc1ccc(C)c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)c1[N+](=O)[O-] ZINC000588906022 460000786 /nfs/dbraw/zinc/00/07/86/460000786.db2.gz CNEYPIIIZPIGNC-UHFFFAOYSA-N -1 1 348.371 3.068 20 5 EGBDMM C[C@H]1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000610086687 460061305 /nfs/dbraw/zinc/06/13/05/460061305.db2.gz LXFVFLMCJWRENH-NXEZZACHSA-N -1 1 346.836 3.351 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1F ZINC000740706301 576618283 /nfs/dbraw/zinc/61/82/83/576618283.db2.gz VKKWVLMZOYXSTN-UHFFFAOYSA-N -1 1 347.327 3.083 20 5 EGBDMM CCCCc1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000170786142 1294382187 /nfs/dbraw/zinc/38/21/87/1294382187.db2.gz VHCCTWVZROTURR-UHFFFAOYSA-N -1 1 342.327 3.319 20 5 EGBDMM CC(C)(C)OC(=O)N1CCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000769889155 1303189084 /nfs/dbraw/zinc/18/90/84/1303189084.db2.gz OJJHTGGWRITFNB-SNVBAGLBSA-N -1 1 349.347 3.045 20 5 EGBDMM CC[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000780072893 1304635979 /nfs/dbraw/zinc/63/59/79/1304635979.db2.gz VOPGZVKOABTNSS-OAHLLOKOSA-N -1 1 329.308 3.119 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ncnc3c2cnn3-c2ccccc2)ccc1[O-] ZINC001210394482 1372341454 /nfs/dbraw/zinc/34/14/54/1372341454.db2.gz WVPJNSCKSJKFSY-UHFFFAOYSA-N -1 1 348.322 3.173 20 5 EGBDMM COc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Br)n1 ZINC001210393963 1372341632 /nfs/dbraw/zinc/34/16/32/1372341632.db2.gz KUXIAXDLEWOBEP-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM CCOC(=O)c1cc(Nc2cc([O-])c(F)c(F)c2)cc([N+](=O)[O-])c1 ZINC001211374109 1372543010 /nfs/dbraw/zinc/54/30/10/1372543010.db2.gz JLHOZLYCVPVKAG-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM CCCC/C=C/[C@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226311307 1375237524 /nfs/dbraw/zinc/23/75/24/1375237524.db2.gz VOOAMOGLUPHBGC-FBOQAHMBSA-N -1 1 338.360 3.386 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC[C@H](C)[C@H]1C ZINC001226310026 1375237712 /nfs/dbraw/zinc/23/77/12/1375237712.db2.gz LFJBMVPEASLUBO-HOSYDEDBSA-N -1 1 338.360 3.076 20 5 EGBDMM CC/C=C(\C)[C@@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226327877 1375240935 /nfs/dbraw/zinc/24/09/35/1375240935.db2.gz RZEGSJHLHWUPPQ-ZJNQMXKESA-N -1 1 338.360 3.386 20 5 EGBDMM COC(=O)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cccc(Cl)c1 ZINC001229396037 1375827116 /nfs/dbraw/zinc/82/71/16/1375827116.db2.gz PKPCVHPLRNEQIX-AWEZNQCLSA-N -1 1 337.715 3.247 20 5 EGBDMM CCN(CC)C(=O)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC001229394709 1375827124 /nfs/dbraw/zinc/82/71/24/1375827124.db2.gz BGNGCZZOKSCAFJ-QGZVFWFLSA-N -1 1 344.367 3.289 20 5 EGBDMM O=C(c1ccc([O-])cc1)c1ccccc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001231231237 1376215862 /nfs/dbraw/zinc/21/58/62/1376215862.db2.gz SRRLTCQHTJFAKN-QGZVFWFLSA-N -1 1 327.336 3.057 20 5 EGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000736828213 1426441403 /nfs/dbraw/zinc/44/14/03/1426441403.db2.gz JDYBQIGGBBSYAH-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM CCc1ccc(OCc2cccc(-c3nnn[n-]3)c2F)c([N+](=O)[O-])c1 ZINC000825716735 1441936399 /nfs/dbraw/zinc/93/63/99/1441936399.db2.gz AANMRMFDPCVSBK-UHFFFAOYSA-N -1 1 343.318 3.055 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])c(Sc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826263898 1446876992 /nfs/dbraw/zinc/87/69/92/1446876992.db2.gz VGXCYKSFQHATSG-UHFFFAOYSA-N -1 1 346.347 3.077 20 5 EGBDMM C[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)[C@@H]1C(=O)[O-] ZINC001589334915 953985951 /nfs/dbraw/zinc/98/59/51/953985951.db2.gz VAXUNPYGKSAVJF-ZANVPECISA-N -1 1 346.305 3.299 20 5 EGBDMM COc1cccc([C@](C)(CC(=O)[O-])NCc2ccccc2[N+](=O)[O-])c1 ZINC001599656038 994581656 /nfs/dbraw/zinc/58/16/56/994581656.db2.gz RMNFEYKEHFWILO-SFHVURJKSA-N -1 1 344.367 3.083 20 5 EGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593718179 996239347 /nfs/dbraw/zinc/23/93/47/996239347.db2.gz ZUMFUPQQIFQTSZ-GARJFASQSA-N -1 1 346.305 3.241 20 5 EGBDMM O=C(NC(c1ccccc1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186750954 144142377 /nfs/dbraw/zinc/14/23/77/144142377.db2.gz KNIJNWAECGHPRA-UHFFFAOYSA-N -1 1 349.346 3.215 20 5 EGBDMM O=C(Nc1ccc(-n2cccn2)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340131843 155108445 /nfs/dbraw/zinc/10/84/45/155108445.db2.gz RXEJGNIWTWSJHS-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EGBDMM Cc1cc(N2CCSCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000347333930 164482415 /nfs/dbraw/zinc/48/24/15/164482415.db2.gz BCANUDOYHPPKOB-UHFFFAOYSA-N -1 1 346.412 3.037 20 5 EGBDMM CC(C)c1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000188273881 275752950 /nfs/dbraw/zinc/75/29/50/275752950.db2.gz VJTHOHLXWZCWQU-UHFFFAOYSA-N -1 1 341.367 3.017 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000452188367 310217656 /nfs/dbraw/zinc/21/76/56/310217656.db2.gz OWYLTWWDTVVQCA-JTQLQIEISA-N -1 1 327.340 3.064 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)c(C)c1 ZINC000475829044 310818012 /nfs/dbraw/zinc/81/80/12/310818012.db2.gz HFUYOKLOEFOXGG-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000557498683 315514879 /nfs/dbraw/zinc/51/48/79/315514879.db2.gz CYZGVJSXFPETLK-ONEGZZNKSA-N -1 1 348.380 3.437 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc2ccccc2s1 ZINC000189706993 455233438 /nfs/dbraw/zinc/23/34/38/455233438.db2.gz PVXJMHXUAMSBCV-VIFPVBQESA-N -1 1 343.364 3.401 20 5 EGBDMM CC(C)CNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1[N+](=O)[O-] ZINC000008148580 453169134 /nfs/dbraw/zinc/16/91/34/453169134.db2.gz DFGNLQVLXGTXGA-UHFFFAOYSA-N -1 1 349.412 3.464 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(Cl)c1 ZINC000067124777 453904132 /nfs/dbraw/zinc/90/41/32/453904132.db2.gz INVHVKMYRAQKET-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C([N-]c1nnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000054516833 453933200 /nfs/dbraw/zinc/93/32/00/453933200.db2.gz DNNQRRGNJDJHOC-UHFFFAOYSA-N -1 1 334.288 3.098 20 5 EGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1 ZINC000067752994 453962588 /nfs/dbraw/zinc/96/25/88/453962588.db2.gz RWTMZRLFTFWQDQ-UHFFFAOYSA-N -1 1 336.373 3.005 20 5 EGBDMM O=C([N-]c1nnc(Cc2ccccc2)s1)c1csc([N+](=O)[O-])c1 ZINC000044281092 454094888 /nfs/dbraw/zinc/09/48/88/454094888.db2.gz KXVQLXHYMUJOTD-UHFFFAOYSA-N -1 1 346.393 3.351 20 5 EGBDMM CCOc1cc(C(=O)[N-]c2c(C)noc2CC)c([N+](=O)[O-])cc1OC ZINC000089392348 454142983 /nfs/dbraw/zinc/14/29/83/454142983.db2.gz KDTLGRKLFJDRJK-UHFFFAOYSA-N -1 1 349.343 3.113 20 5 EGBDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000089882262 454224392 /nfs/dbraw/zinc/22/43/92/454224392.db2.gz VWYRDNVVNUTOKV-UHFFFAOYSA-N -1 1 348.265 3.367 20 5 EGBDMM CCCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000074983498 454669805 /nfs/dbraw/zinc/66/98/05/454669805.db2.gz RWPDQXMQVVLDCS-UHFFFAOYSA-N -1 1 336.369 3.184 20 5 EGBDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000165005160 454892820 /nfs/dbraw/zinc/89/28/20/454892820.db2.gz VKLFCTUWVDAVPY-UHFFFAOYSA-N -1 1 348.265 3.367 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ncccc1Cl ZINC000180197155 455147364 /nfs/dbraw/zinc/14/73/64/455147364.db2.gz BOXJIDHFWOKPPS-UHFFFAOYSA-N -1 1 341.776 3.061 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)no2)[n-]1 ZINC000280429519 455970553 /nfs/dbraw/zinc/97/05/53/455970553.db2.gz BTABRTQFUJXOAH-UHFFFAOYSA-N -1 1 325.328 3.240 20 5 EGBDMM Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c([N+](=O)[O-])c3)[nH]n2)o1 ZINC000195628138 455991220 /nfs/dbraw/zinc/99/12/20/455991220.db2.gz CJCOJMXVOJPFEU-UHFFFAOYSA-N -1 1 326.312 3.447 20 5 EGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297276287 456168545 /nfs/dbraw/zinc/16/85/45/456168545.db2.gz QEOLWPHLWYXZRL-CABCVRRESA-N -1 1 341.367 3.104 20 5 EGBDMM O=C(Nc1cccc(OCC(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340716249 456644452 /nfs/dbraw/zinc/64/44/52/456644452.db2.gz ZXQFNVPDWSTPQD-UHFFFAOYSA-N -1 1 329.234 3.116 20 5 EGBDMM Cc1cc(C)cc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000410355598 457638523 /nfs/dbraw/zinc/63/85/23/457638523.db2.gz UUOHTEPQGKMGAE-UHFFFAOYSA-N -1 1 334.397 3.462 20 5 EGBDMM CC(C)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000361864691 457917297 /nfs/dbraw/zinc/91/72/97/457917297.db2.gz CVKZELUAJVBEKP-AWEZNQCLSA-N -1 1 329.356 3.213 20 5 EGBDMM Cc1cnc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])s1 ZINC000444824029 457984705 /nfs/dbraw/zinc/98/47/05/457984705.db2.gz FOTXJOUOHHRIQH-UHFFFAOYSA-N -1 1 348.203 3.436 20 5 EGBDMM Cc1ccc2c(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)cn(C)c2c1 ZINC000445626920 458072423 /nfs/dbraw/zinc/07/24/23/458072423.db2.gz CEDQIXIOHNSAMP-UHFFFAOYSA-N -1 1 337.339 3.364 20 5 EGBDMM COc1cc(-c2nc(-c3ccc([O-])cc3F)no2)cc([N+](=O)[O-])c1C ZINC000436869942 458395966 /nfs/dbraw/zinc/39/59/66/458395966.db2.gz CIVZTXGKKMCHAO-UHFFFAOYSA-N -1 1 345.286 3.474 20 5 EGBDMM C[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000568943754 459367910 /nfs/dbraw/zinc/36/79/10/459367910.db2.gz BLJINRSMHWYFFI-JTQLQIEISA-N -1 1 342.380 3.211 20 5 EGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN(CCC(F)(F)F)CC2CC2)c1 ZINC000593744783 459970405 /nfs/dbraw/zinc/97/04/05/459970405.db2.gz WSVOMSQFETUZKF-UHFFFAOYSA-N -1 1 346.305 3.457 20 5 EGBDMM Cc1nc(-c2ccccc2)[nH]c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000611294715 460331394 /nfs/dbraw/zinc/33/13/94/460331394.db2.gz ZDVBSSAGQRYHPK-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccccc1Cl ZINC000186981524 534767369 /nfs/dbraw/zinc/76/73/69/534767369.db2.gz MPBMNHLQFLCGOG-ZDUSSCGKSA-N -1 1 347.758 3.326 20 5 EGBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000742295857 576766851 /nfs/dbraw/zinc/76/68/51/576766851.db2.gz IAPYJMVFAYOZBG-CYBMUJFWSA-N -1 1 343.449 3.263 20 5 EGBDMM CCCCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000742295858 576766895 /nfs/dbraw/zinc/76/68/95/576766895.db2.gz IAPYJMVFAYOZBG-ZDUSSCGKSA-N -1 1 343.449 3.263 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000745000015 576838220 /nfs/dbraw/zinc/83/82/20/576838220.db2.gz UDHDTJJMFJKZRW-UHFFFAOYSA-N -1 1 347.298 3.042 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)CCc2ccccc2)ccc1Cl ZINC000047992170 1291592327 /nfs/dbraw/zinc/59/23/27/1291592327.db2.gz AKGOGJSQHWHNDQ-UHFFFAOYSA-N -1 1 340.788 3.233 20 5 EGBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2F)cc1[N+](=O)[O-] ZINC000084460542 1292703603 /nfs/dbraw/zinc/70/36/03/1292703603.db2.gz KSPJIMZYVFZSFJ-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c1 ZINC000154227673 1294046676 /nfs/dbraw/zinc/04/66/76/1294046676.db2.gz RMNKGJJIIVWBOE-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000754950312 1300250443 /nfs/dbraw/zinc/25/04/43/1300250443.db2.gz QCQVNJCJCVMRCJ-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)cc1F ZINC000771225118 1303377070 /nfs/dbraw/zinc/37/70/70/1303377070.db2.gz TWLTUBVUFRYZBQ-UHFFFAOYSA-N -1 1 349.249 3.208 20 5 EGBDMM Cc1c([N-]c2nc3ccccn3c2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000771929849 1303462125 /nfs/dbraw/zinc/46/21/25/1303462125.db2.gz YKQNWJHYLQIXCS-UHFFFAOYSA-N -1 1 334.339 3.480 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2cccc(C(F)F)c2)ccc1F ZINC000780365061 1304682030 /nfs/dbraw/zinc/68/20/30/1304682030.db2.gz FVQVNBXVSJCVAP-UHFFFAOYSA-N -1 1 346.286 3.472 20 5 EGBDMM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@@]1(C)C(=O)[O-] ZINC000901542552 1317442948 /nfs/dbraw/zinc/44/29/48/1317442948.db2.gz MCDKTDPAGOADCP-XLKFXECMSA-N -1 1 347.198 3.444 20 5 EGBDMM O=C([O-])CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1CC1 ZINC000901972086 1317503912 /nfs/dbraw/zinc/50/39/12/1317503912.db2.gz RYVNKKDBMBLJIZ-UHFFFAOYSA-N -1 1 332.381 3.372 20 5 EGBDMM CC1([N-]S(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)CCC1 ZINC000809395630 1317811269 /nfs/dbraw/zinc/81/12/69/1317811269.db2.gz OIYAPICTTORYFC-UHFFFAOYSA-N -1 1 339.200 3.123 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc(Br)c(F)c2)ccc1[O-] ZINC001210396710 1372342353 /nfs/dbraw/zinc/34/23/53/1372342353.db2.gz XFUDIXZUMYJNTM-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1Nc1nc(Br)ccc1[O-] ZINC001210443770 1372354519 /nfs/dbraw/zinc/35/45/19/1372354519.db2.gz NOBNLWZFIYIPGX-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM CCOC(=O)c1cc(Nc2ncc(Cl)cc2[O-])cc([N+](=O)[O-])c1 ZINC001211367708 1372541741 /nfs/dbraw/zinc/54/17/41/1372541741.db2.gz SXNIIEMNNCKEIM-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3cc(F)c([O-])c(F)c3)c-2cc1=O ZINC001213386689 1372898024 /nfs/dbraw/zinc/89/80/24/1372898024.db2.gz PPUNUHNUBHUSBR-UHFFFAOYSA-N -1 1 339.301 3.057 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CCNCC3(F)F)ccc12 ZINC001218010678 1373535660 /nfs/dbraw/zinc/53/56/60/1373535660.db2.gz RCQBNHJMOTWGCM-INIZCTEOSA-N -1 1 347.317 3.028 20 5 EGBDMM CC(C)Oc1ncc(Cl)cc1COc1[n-]ccc(=O)c1[N+](=O)[O-] ZINC001225664286 1375140679 /nfs/dbraw/zinc/14/06/79/1375140679.db2.gz MKGVJWCMYPRCOP-UHFFFAOYSA-N -1 1 339.735 3.110 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)CCCC(C)C ZINC001226309292 1375236335 /nfs/dbraw/zinc/23/63/35/1375236335.db2.gz FBFCCGABPRTGTA-NSHDSACASA-N -1 1 340.376 3.466 20 5 EGBDMM CCC[C@H](C)[C@@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226322415 1375239425 /nfs/dbraw/zinc/23/94/25/1375239425.db2.gz CYDAXBWQBGKDRK-CMPLNLGQSA-N -1 1 340.376 3.466 20 5 EGBDMM CO[C@H](C)CCOc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227305901 1375418482 /nfs/dbraw/zinc/41/84/82/1375418482.db2.gz BUJMAMCJDGZSQU-SNVBAGLBSA-N -1 1 330.336 3.161 20 5 EGBDMM CCC(=O)c1c(O)cc([O-])cc1O[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001228560933 1375598148 /nfs/dbraw/zinc/59/81/48/1375598148.db2.gz WBTQZIVKHKZOJW-CQSZACIVSA-N -1 1 343.335 3.145 20 5 EGBDMM Cc1nc(O[C@H](C)c2c(Cl)cncc2Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378606 1375823318 /nfs/dbraw/zinc/82/33/18/1375823318.db2.gz HNEAWZIJOUJHQF-RXMQYKEDSA-N -1 1 345.142 3.241 20 5 EGBDMM Cc1cc([O-])c(O[C@H](CC(C)C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC001229751175 1375886014 /nfs/dbraw/zinc/88/60/14/1375886014.db2.gz RLXPHXSUKWRBOU-OAHLLOKOSA-N -1 1 325.361 3.354 20 5 EGBDMM O=[N+]([O-])c1ccc2nc(NC3CCCCC3)cc(-c3nnn[n-]3)c2c1 ZINC000738366650 1428767698 /nfs/dbraw/zinc/76/76/98/1428767698.db2.gz GTRWGXBVUGOGRA-UHFFFAOYSA-N -1 1 339.359 3.068 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000823630116 1429423893 /nfs/dbraw/zinc/42/38/93/1429423893.db2.gz SBZHOVFOWWDTFL-NQBHXWOUSA-N -1 1 328.376 3.156 20 5 EGBDMM O=[N+]([O-])c1ccc(CNc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000823634708 1424928650 /nfs/dbraw/zinc/92/86/50/1424928650.db2.gz KKFYIPGOXCSFAO-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)cc1 ZINC000826498418 1442358363 /nfs/dbraw/zinc/35/83/63/1442358363.db2.gz TZBLPJCYBHTEFZ-UHFFFAOYSA-N -1 1 345.359 3.347 20 5 EGBDMM CCS[C@H]1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821453685 1447000760 /nfs/dbraw/zinc/00/07/60/1447000760.db2.gz BHTLFKQECFNUPM-RYUDHWBXSA-N -1 1 348.432 3.251 20 5 EGBDMM CC(C)c1ccc(CN[C@H](C(=O)[O-])c2cccc(O)c2)cc1[N+](=O)[O-] ZINC001591957085 976527121 /nfs/dbraw/zinc/52/71/21/976527121.db2.gz BGLOBJZNCNNMGV-KRWDZBQOSA-N -1 1 344.367 3.339 20 5 EGBDMM CC[C@](NCc1ccc(F)cc1[N+](=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001595301361 980437690 /nfs/dbraw/zinc/43/76/90/980437690.db2.gz XXEBDRGUAOJZEK-QGZVFWFLSA-N -1 1 332.331 3.214 20 5 EGBDMM CC(C)(NCc1ccc(C(=O)[O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC001590871444 990778575 /nfs/dbraw/zinc/77/85/75/990778575.db2.gz VPHBBVBWZLTICQ-UHFFFAOYSA-N -1 1 332.331 3.457 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC001593204849 994208941 /nfs/dbraw/zinc/20/89/41/994208941.db2.gz WIYNWVBSLKEVPG-QWHCGFSZSA-N -1 1 344.367 3.470 20 5 EGBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001594207533 998800156 /nfs/dbraw/zinc/80/01/56/998800156.db2.gz FIRZCGHQAYZDJQ-PEGIJTEDSA-N -1 1 326.780 3.322 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000267400045 251022794 /nfs/dbraw/zinc/02/27/94/251022794.db2.gz XDBBFTYXBZABIJ-UHFFFAOYSA-N -1 1 326.765 3.305 20 5 EGBDMM O=C(Nc1cc(F)cc(NCC(F)(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000352096600 165233315 /nfs/dbraw/zinc/23/33/15/165233315.db2.gz GAVVSWKKIMMFAL-UHFFFAOYSA-N -1 1 346.240 3.289 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(Br)c3)no2)[n-]1 ZINC000356020867 166377441 /nfs/dbraw/zinc/37/74/41/166377441.db2.gz LCJWLXSSSYEWIU-UHFFFAOYSA-N -1 1 349.144 3.326 20 5 EGBDMM COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000422033685 309352169 /nfs/dbraw/zinc/35/21/69/309352169.db2.gz HXWPNQYEGNIHQC-ZDUSSCGKSA-N -1 1 343.383 3.407 20 5 EGBDMM O=C([O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(F)c1 ZINC000426727226 309513817 /nfs/dbraw/zinc/51/38/17/309513817.db2.gz NQCDTXNXYLQRLO-AWEZNQCLSA-N -1 1 338.722 3.303 20 5 EGBDMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000436188631 309749009 /nfs/dbraw/zinc/74/90/09/309749009.db2.gz RVCFUTBFJRRLCW-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000512958405 312199059 /nfs/dbraw/zinc/19/90/59/312199059.db2.gz HHWLNRSMZUCNCB-QWRGUYRKSA-N -1 1 346.836 3.353 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000032587596 453878675 /nfs/dbraw/zinc/87/86/75/453878675.db2.gz KDSUYNKQFSZJOJ-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1 ZINC000091054480 454372518 /nfs/dbraw/zinc/37/25/18/454372518.db2.gz AYHLTYFDGLNWHP-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CC(C)c1cc(C(=O)[N-]c2cc3c(cc2[N+](=O)[O-])OCCCO3)no1 ZINC000179223398 455021749 /nfs/dbraw/zinc/02/17/49/455021749.db2.gz KWWUOKXOABZUMX-UHFFFAOYSA-N -1 1 347.327 3.120 20 5 EGBDMM O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343448421 456627354 /nfs/dbraw/zinc/62/73/54/456627354.db2.gz LRDAVHHVWKGXBZ-UHFFFAOYSA-N -1 1 346.343 3.362 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(COc3ccc(Cl)c(F)c3)no2)[n-]1 ZINC000340861646 456726544 /nfs/dbraw/zinc/72/65/44/456726544.db2.gz MCDXGPNNFOUCPO-UHFFFAOYSA-N -1 1 338.682 3.344 20 5 EGBDMM C[C@H]1CN(Cc2ccccc2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338998195 456893621 /nfs/dbraw/zinc/89/36/21/456893621.db2.gz YAHYHZSSFJQLOA-HNNXBMFYSA-N -1 1 341.411 3.007 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000355503316 457381987 /nfs/dbraw/zinc/38/19/87/457381987.db2.gz FOTCHBLUDATDCR-LJQANCHMSA-N -1 1 342.395 3.074 20 5 EGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2c1cccc2C(F)(F)F ZINC000352600389 457495251 /nfs/dbraw/zinc/49/52/51/457495251.db2.gz PZGXZZKFAQDOHF-UHFFFAOYSA-N -1 1 325.246 3.145 20 5 EGBDMM O=C([O-])C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1nc2ccccc2o1 ZINC000448114036 458390737 /nfs/dbraw/zinc/39/07/37/458390737.db2.gz PERJBGUFTVWMLO-XFFZJAGNSA-N -1 1 340.291 3.457 20 5 EGBDMM CC1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000518660755 458884696 /nfs/dbraw/zinc/88/46/96/458884696.db2.gz GUNSXUXJYWHRQG-UHFFFAOYSA-N -1 1 332.809 3.249 20 5 EGBDMM O=C(Nc1cc(F)ccc1N1CCCCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000608881041 459892174 /nfs/dbraw/zinc/89/21/74/459892174.db2.gz OMHDNHDXXWUVBF-UHFFFAOYSA-N -1 1 332.335 3.305 20 5 EGBDMM O=c1cc(C(F)F)nc(SCCOc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000575096814 459925262 /nfs/dbraw/zinc/92/52/62/459925262.db2.gz CWOWDANVGHHDTP-UHFFFAOYSA-N -1 1 343.311 3.199 20 5 EGBDMM CN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 ZINC000593733675 459968122 /nfs/dbraw/zinc/96/81/22/459968122.db2.gz YNYMFJYFGZEYSW-QGZVFWFLSA-N -1 1 326.352 3.412 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000832481365 601653097 /nfs/dbraw/zinc/65/30/97/601653097.db2.gz CPEOXHYMLLDJON-YVEFUNNKSA-N -1 1 344.367 3.155 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cs1 ZINC000120116578 1293305538 /nfs/dbraw/zinc/30/55/38/1293305538.db2.gz WLWVVUROEQZTBN-UHFFFAOYSA-N -1 1 336.753 3.250 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cs1 ZINC000120241179 1293312646 /nfs/dbraw/zinc/31/26/46/1293312646.db2.gz UEISKDAQEWZEPT-UHFFFAOYSA-N -1 1 336.753 3.250 20 5 EGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000134063859 1293761107 /nfs/dbraw/zinc/76/11/07/1293761107.db2.gz CWPYRIVCZDAXPG-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1csc([N+](=O)[O-])c1 ZINC000800146400 1310681223 /nfs/dbraw/zinc/68/12/23/1310681223.db2.gz SXFIGFWIMIWOMU-UHFFFAOYSA-N -1 1 325.277 3.264 20 5 EGBDMM Cc1ccsc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000800930529 1310838819 /nfs/dbraw/zinc/83/88/19/1310838819.db2.gz NNZQLJMGVLPMEI-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC=CCC1 ZINC000815001567 1318864714 /nfs/dbraw/zinc/86/47/14/1318864714.db2.gz PDKNQNMRRBSDGS-SECBINFHSA-N -1 1 348.783 3.022 20 5 EGBDMM O=c1cc[n-]c(O[C@H]2CC=C[C@@H]2COCc2ccccc2)c1[N+](=O)[O-] ZINC001225666701 1375140727 /nfs/dbraw/zinc/14/07/27/1375140727.db2.gz LCAKXRJUQZMCEL-ZBFHGGJFSA-N -1 1 342.351 3.236 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CCC(C)(C)CC1 ZINC001226307712 1375236548 /nfs/dbraw/zinc/23/65/48/1375236548.db2.gz OJPAISXXIHKVCW-UHFFFAOYSA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1CCCCCCC1 ZINC001226311312 1375237511 /nfs/dbraw/zinc/23/75/11/1375237511.db2.gz VPEWGGKNEMINFB-UHFFFAOYSA-N -1 1 338.360 3.364 20 5 EGBDMM COCC(=O)c1ccc([O-])cc1O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001227173343 1375402601 /nfs/dbraw/zinc/40/26/01/1375402601.db2.gz XSZDNEQAVHHGED-LLVKDONJSA-N -1 1 331.324 3.270 20 5 EGBDMM Cc1nc(O[C@@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376392 1375822041 /nfs/dbraw/zinc/82/20/41/1375822041.db2.gz UGKRDYPPINYMBC-JTQLQIEISA-N -1 1 329.234 3.081 20 5 EGBDMM C=CC(=O)OC[C@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513821 1375849423 /nfs/dbraw/zinc/84/94/23/1375849423.db2.gz BKHSMAVMQDHLGC-NSHDSACASA-N -1 1 340.331 3.148 20 5 EGBDMM COC(=O)[C@@H]([N-]c1ccc(C(C)(C)C)cc1[N+](=O)[O-])C(F)(F)F ZINC001171014387 1384430220 /nfs/dbraw/zinc/43/02/20/1384430220.db2.gz FDAOYTJLUDETAI-LLVKDONJSA-N -1 1 334.294 3.408 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1Oc1cccc(F)c1-c1nnn[n-]1 ZINC000738360348 1425131730 /nfs/dbraw/zinc/13/17/30/1425131730.db2.gz OUYRPZRUDOTOFF-UHFFFAOYSA-N -1 1 335.682 3.360 20 5 EGBDMM CCS[C@@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821453686 1425136333 /nfs/dbraw/zinc/13/63/33/1425136333.db2.gz BHTLFKQECFNUPM-VXGBXAGGSA-N -1 1 348.432 3.251 20 5 EGBDMM Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1F ZINC000822229313 1425295697 /nfs/dbraw/zinc/29/56/97/1425295697.db2.gz RMYMPAFIOCDWOL-JTQLQIEISA-N -1 1 342.334 3.396 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000823639566 1425366636 /nfs/dbraw/zinc/36/66/36/1425366636.db2.gz DSJIXPSLPFKROX-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@@H]2CCc3ccc(F)cc32)c(-c2nnn[n-]2)c1 ZINC000738371645 1427570613 /nfs/dbraw/zinc/57/06/13/1427570613.db2.gz VUNGTGKHOSPRRC-CQSZACIVSA-N -1 1 340.318 3.013 20 5 EGBDMM CCCCCCNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000736445479 1427670052 /nfs/dbraw/zinc/67/00/52/1427670052.db2.gz BFYDGBNYADCXRS-UHFFFAOYSA-N -1 1 341.375 3.315 20 5 EGBDMM O=[N+]([O-])c1cccc2ccc(C=Cc3ccccc3-c3nnn[n-]3)nc21 ZINC000826500227 1427738628 /nfs/dbraw/zinc/73/86/28/1427738628.db2.gz OXXKZEWRAYXLFM-NTMALXAHSA-N -1 1 344.334 3.494 20 5 EGBDMM Cc1ccc(C[C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)s1 ZINC000737336566 1430022756 /nfs/dbraw/zinc/02/27/56/1430022756.db2.gz ZHQUDIBUUVLHFF-SECBINFHSA-N -1 1 344.400 3.188 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823639676 1442278587 /nfs/dbraw/zinc/27/85/87/1442278587.db2.gz FOXLPEUWDAIZIJ-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM CC(C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)CC1 ZINC000735750119 1443382428 /nfs/dbraw/zinc/38/24/28/1443382428.db2.gz PSWTUQZWJDIPQV-GFCCVEGCSA-N -1 1 330.392 3.037 20 5 EGBDMM C[C@H](CCc1ccccc1)Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000820254423 1447122743 /nfs/dbraw/zinc/12/27/43/1447122743.db2.gz PMTFZAOKRGJVNO-GFCCVEGCSA-N -1 1 338.371 3.208 20 5 EGBDMM C[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC001603461565 973301060 /nfs/dbraw/zinc/30/10/60/973301060.db2.gz QVDIVQIGUSSYES-BXKDBHETSA-N -1 1 346.305 3.156 20 5 EGBDMM CN(Cc1c2ccccc2[nH]c1C(=O)[O-])Cc1ccccc1[N+](=O)[O-] ZINC001598531066 992781500 /nfs/dbraw/zinc/78/15/00/992781500.db2.gz REPKQCPHGHPWNM-UHFFFAOYSA-N -1 1 339.351 3.406 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593204848 994208920 /nfs/dbraw/zinc/20/89/20/994208920.db2.gz WIYNWVBSLKEVPG-OLZOCXBDSA-N -1 1 344.367 3.470 20 5 EGBDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1 ZINC000055547334 202693916 /nfs/dbraw/zinc/69/39/16/202693916.db2.gz OFDINIBAYLWNPY-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193641095 240248758 /nfs/dbraw/zinc/24/87/58/240248758.db2.gz LAAHESIAPQRSCH-HZMBPMFUSA-N -1 1 345.330 3.058 20 5 EGBDMM Cc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005260203 206500904 /nfs/dbraw/zinc/50/09/04/206500904.db2.gz SMZZVLVYSAXXIO-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncsc3c2)cc1[N+](=O)[O-] ZINC000194157680 266095596 /nfs/dbraw/zinc/09/55/96/266095596.db2.gz KNWPCNYFZNMQCJ-UHFFFAOYSA-N -1 1 349.393 3.314 20 5 EGBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)c1ccc(F)cc1 ZINC000445000802 309934467 /nfs/dbraw/zinc/93/44/67/309934467.db2.gz PCMOFTMUQRRWKJ-SNVBAGLBSA-N -1 1 333.319 3.058 20 5 EGBDMM CCc1ccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cc1[N+](=O)[O-] ZINC000472552890 310767599 /nfs/dbraw/zinc/76/75/99/310767599.db2.gz CSOMDNJMXDSSNY-UHFFFAOYSA-N -1 1 342.380 3.283 20 5 EGBDMM O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1cccc([N+](=O)[O-])c1 ZINC000534554458 313987520 /nfs/dbraw/zinc/98/75/20/313987520.db2.gz OSFTXSKRAAPFJI-UHFFFAOYSA-N -1 1 348.771 3.374 20 5 EGBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccsc1Cl ZINC000189746365 455237164 /nfs/dbraw/zinc/23/71/64/455237164.db2.gz FHIBUNNPGGVOJL-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM O=C(Nc1ccc(Br)cc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000037011351 453932750 /nfs/dbraw/zinc/93/27/50/453932750.db2.gz AKKOUOMBVLTRGC-UHFFFAOYSA-N -1 1 328.097 3.077 20 5 EGBDMM Cc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000131033907 454232083 /nfs/dbraw/zinc/23/20/83/454232083.db2.gz XBBZXKCXQKVHIM-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000079106550 454369065 /nfs/dbraw/zinc/36/90/65/454369065.db2.gz YHSQKBZDKJXLLZ-SNVBAGLBSA-N -1 1 338.389 3.022 20 5 EGBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182841203 455176206 /nfs/dbraw/zinc/17/62/06/455176206.db2.gz ZARCZUBJXPRBNY-UHFFFAOYSA-N -1 1 342.229 3.293 20 5 EGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1O ZINC000436896100 458400909 /nfs/dbraw/zinc/40/09/09/458400909.db2.gz LBMNCXOYUYAMIS-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM COC(=O)c1c[n-]c(SCc2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000432672169 458769746 /nfs/dbraw/zinc/76/97/46/458769746.db2.gz SKVAMAOOBYAISF-UHFFFAOYSA-N -1 1 327.749 3.050 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)ccc1[N+](=O)[O-] ZINC000590597573 459158310 /nfs/dbraw/zinc/15/83/10/459158310.db2.gz FRRYRSVVKGCLNJ-UHFFFAOYSA-N -1 1 342.760 3.063 20 5 EGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000593738468 459969234 /nfs/dbraw/zinc/96/92/34/459969234.db2.gz SJCDYCKSIGARFG-GJZGRUSLSA-N -1 1 336.413 3.153 20 5 EGBDMM CN(C)C(=O)c1ccc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)cc1 ZINC000614115164 460019245 /nfs/dbraw/zinc/01/92/45/460019245.db2.gz KULBEQOUJJORBG-UHFFFAOYSA-N -1 1 343.386 3.445 20 5 EGBDMM CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1Cl ZINC000604261673 460398062 /nfs/dbraw/zinc/39/80/62/460398062.db2.gz ZDUFNKCFNWOWLX-UHFFFAOYSA-N -1 1 337.719 3.005 20 5 EGBDMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742326150 576768770 /nfs/dbraw/zinc/76/87/70/576768770.db2.gz MEUJDPDHMPYOMQ-UWVGGRQHSA-N -1 1 334.825 3.351 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000744496132 576829954 /nfs/dbraw/zinc/82/99/54/576829954.db2.gz TUIOXNLYESTXDN-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM CCc1c(C)[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c1=O ZINC000871958198 1296630968 /nfs/dbraw/zinc/63/09/68/1296630968.db2.gz AHDWITCZMGKFLA-VIFPVBQESA-N -1 1 326.150 3.106 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(C)noc1C(F)(F)F ZINC000750162574 1299349225 /nfs/dbraw/zinc/34/92/25/1299349225.db2.gz HNVQLKJLMIOIRB-UHFFFAOYSA-N -1 1 345.233 3.171 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3c(Cl)nc4sccn43)no2)[n-]1 ZINC000771312320 1303387900 /nfs/dbraw/zinc/38/79/00/1303387900.db2.gz OIZINXMPUBRKCR-UHFFFAOYSA-N -1 1 336.720 3.003 20 5 EGBDMM O=C(Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)c1ccc([O-])cc1F ZINC000777801329 1304349046 /nfs/dbraw/zinc/34/90/46/1304349046.db2.gz YOIZYRRHCAZALR-UHFFFAOYSA-N -1 1 342.286 3.082 20 5 EGBDMM O=C(OCc1csc(-c2ccoc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074142 1304635470 /nfs/dbraw/zinc/63/54/70/1304635470.db2.gz HCFGVVUVIOYTRC-UHFFFAOYSA-N -1 1 346.320 3.374 20 5 EGBDMM O=C(OCc1ccccc1OC(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075522 1304635648 /nfs/dbraw/zinc/63/56/48/1304635648.db2.gz LJHWIZFFWWCAOP-UHFFFAOYSA-N -1 1 339.250 3.259 20 5 EGBDMM CC(C)(C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000795558326 1309780270 /nfs/dbraw/zinc/78/02/70/1309780270.db2.gz AVOKMLXPPAWIDJ-UHFFFAOYSA-N -1 1 343.335 3.004 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000800051998 1310662564 /nfs/dbraw/zinc/66/25/64/1310662564.db2.gz XQJVVUCGQBREST-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM Cc1cc(N[C@H]2CN(C)Cc3ccccc32)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910365828 1318619028 /nfs/dbraw/zinc/61/90/28/1318619028.db2.gz XEUJDCHWZJJVMG-INIZCTEOSA-N -1 1 341.367 3.200 20 5 EGBDMM COc1cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c(C(C)=O)cc1OC ZINC001201222721 1369498750 /nfs/dbraw/zinc/49/87/50/1369498750.db2.gz PYNAKPZVCZXSDJ-UHFFFAOYSA-N -1 1 332.312 3.264 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc(Br)c(Cl)n2)ccc1[O-] ZINC001210392184 1372340172 /nfs/dbraw/zinc/34/01/72/1372340172.db2.gz CXWAZFVQVOLALS-UHFFFAOYSA-N -1 1 345.540 3.250 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ncc(Cl)nc2Br)ccc1[O-] ZINC001210392770 1372341308 /nfs/dbraw/zinc/34/13/08/1372341308.db2.gz JKPLFJCDADZDCW-UHFFFAOYSA-N -1 1 345.540 3.250 20 5 EGBDMM CCOC(=O)c1cc2cc(N)ccc2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210400185 1372342961 /nfs/dbraw/zinc/34/29/61/1372342961.db2.gz DYVFYUYZKKPCBS-UHFFFAOYSA-N -1 1 341.323 3.003 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001212893144 1372791127 /nfs/dbraw/zinc/79/11/27/1372791127.db2.gz ODTOQYPYKZZCPZ-UHFFFAOYSA-N -1 1 326.099 3.342 20 5 EGBDMM Cc1cccc(-c2noc(-c3n[n-]c(C(F)(F)F)c3[N+](=O)[O-])n2)c1 ZINC001212972578 1372809250 /nfs/dbraw/zinc/80/92/50/1372809250.db2.gz DWWWEBZOAISEIK-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM CC(C)OCCOc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306081 1375418494 /nfs/dbraw/zinc/41/84/94/1375418494.db2.gz FNRKSCAUKHMXIW-UHFFFAOYSA-N -1 1 330.336 3.161 20 5 EGBDMM Cc1ccc(N2CCC(Oc3cc([N+](=O)[O-])ccc3[O-])CC2)nc1 ZINC001229394957 1375827153 /nfs/dbraw/zinc/82/71/53/1375827153.db2.gz COBONBICEGECRI-UHFFFAOYSA-N -1 1 329.356 3.052 20 5 EGBDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229397284 1375828527 /nfs/dbraw/zinc/82/85/27/1375828527.db2.gz GTUGCUACRPGTHS-TXEJJXNPSA-N -1 1 338.360 3.077 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCc4nccn4C3)ccc12 ZINC001229513725 1375849877 /nfs/dbraw/zinc/84/98/77/1375849877.db2.gz CBNJNRKPPMNONU-CQSZACIVSA-N -1 1 348.358 3.242 20 5 EGBDMM COC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1cccc(F)c1 ZINC001229750128 1375886250 /nfs/dbraw/zinc/88/62/50/1375886250.db2.gz KHYWHJXHRMUUGC-OAHLLOKOSA-N -1 1 335.287 3.041 20 5 EGBDMM COCCCn1c2ccccc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251385460 1377085571 /nfs/dbraw/zinc/08/55/71/1377085571.db2.gz ATKWKTXLEVDWNW-UHFFFAOYSA-N -1 1 327.340 3.354 20 5 EGBDMM CCOCc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000736627473 1428867414 /nfs/dbraw/zinc/86/74/14/1428867414.db2.gz VRDNAKYDVLUMKQ-UHFFFAOYSA-N -1 1 340.343 3.055 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823640077 1441800698 /nfs/dbraw/zinc/80/06/98/1441800698.db2.gz RCQWFTGZBRMMHN-SDDRHHMPSA-N -1 1 328.376 3.156 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@]2(CC=CCC2)C1 ZINC000738357968 1447298708 /nfs/dbraw/zinc/29/87/08/1447298708.db2.gz JJHQEUXJGICRMD-QGZVFWFLSA-N -1 1 340.387 3.102 20 5 EGBDMM CCc1cc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)ccc1Cl ZINC000821475835 1447301819 /nfs/dbraw/zinc/30/18/19/1447301819.db2.gz AUARJZTVDAPBPX-UHFFFAOYSA-N -1 1 346.734 3.178 20 5 EGBDMM O=C([O-])CC[C@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261605713 961383083 /nfs/dbraw/zinc/38/30/83/961383083.db2.gz CVRZZKMIBHQGCD-LLVKDONJSA-N -1 1 326.780 3.325 20 5 EGBDMM O=C([O-])[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001605982832 973018676 /nfs/dbraw/zinc/01/86/76/973018676.db2.gz DTFLHRGTZHMKJC-GDBMZVCRSA-N -1 1 330.315 3.137 20 5 EGBDMM CC1(C)CC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000351737399 144299183 /nfs/dbraw/zinc/29/91/83/144299183.db2.gz ITANIYZSTRHHJG-AWEZNQCLSA-N -1 1 341.367 3.238 20 5 EGBDMM CCOc1cccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000337123684 163135161 /nfs/dbraw/zinc/13/51/61/163135161.db2.gz CKNBTQKMEUOZPV-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3cc(F)cc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000344222365 164129944 /nfs/dbraw/zinc/12/99/44/164129944.db2.gz XSJKIFIOXLWZEK-UHFFFAOYSA-N -1 1 346.343 3.168 20 5 EGBDMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cc([N+](=O)[O-])c1 ZINC000358923985 167007246 /nfs/dbraw/zinc/00/72/46/167007246.db2.gz PUUIREHBNKFFNG-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000359844550 167246649 /nfs/dbraw/zinc/24/66/49/167246649.db2.gz DTBKFRNKFVRRBN-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1[N+](=O)[O-] ZINC000366964089 168162282 /nfs/dbraw/zinc/16/22/82/168162282.db2.gz XPEVUKVMMACITQ-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM C[C@H](c1ccccc1Cl)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193403854 266030017 /nfs/dbraw/zinc/03/00/17/266030017.db2.gz VCTPIVUERBLISW-SECBINFHSA-N -1 1 335.747 3.182 20 5 EGBDMM Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000279120302 275305524 /nfs/dbraw/zinc/30/55/24/275305524.db2.gz XDWVUZQUCFIDGM-SWLSCSKDSA-N -1 1 341.367 3.022 20 5 EGBDMM CCCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000347830156 308883303 /nfs/dbraw/zinc/88/33/03/308883303.db2.gz MOFOJJZEZQPQJR-UHFFFAOYSA-N -1 1 332.809 3.107 20 5 EGBDMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000427262878 309526131 /nfs/dbraw/zinc/52/61/31/309526131.db2.gz NLHNLOVBKQYBPC-NSHDSACASA-N -1 1 332.809 3.105 20 5 EGBDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184893295 455467556 /nfs/dbraw/zinc/46/75/56/455467556.db2.gz NETHSGPVEUSERE-UHFFFAOYSA-N -1 1 348.265 3.367 20 5 EGBDMM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340474430 456480448 /nfs/dbraw/zinc/48/04/48/456480448.db2.gz IWJMCQLAGXDSCN-UHFFFAOYSA-N -1 1 331.662 3.430 20 5 EGBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCCN1C1CCCC1 ZINC000332019394 457290453 /nfs/dbraw/zinc/29/04/53/457290453.db2.gz FUUFSTSYYXHCHG-HNNXBMFYSA-N -1 1 333.388 3.036 20 5 EGBDMM CO[C@@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1Cl ZINC000357546480 457588213 /nfs/dbraw/zinc/58/82/13/457588213.db2.gz JLWZJVBLQANLMF-GFCCVEGCSA-N -1 1 334.719 3.362 20 5 EGBDMM CSc1nsc([N-]C(=O)c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000357679994 457652488 /nfs/dbraw/zinc/65/24/88/457652488.db2.gz CXDMTXDTRQMNHY-UHFFFAOYSA-N -1 1 342.427 3.142 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436592930 458340797 /nfs/dbraw/zinc/34/07/97/458340797.db2.gz ZMNIEVSCHXMOOH-INIZCTEOSA-N -1 1 348.355 3.327 20 5 EGBDMM CC(C)c1c(Cc2ccccc2)[n-]n(-c2ccc([N+](=O)[O-])cn2)c1=O ZINC000601933849 460951361 /nfs/dbraw/zinc/95/13/61/460951361.db2.gz UVLNACZRSIVMFT-KRWDZBQOSA-N -1 1 338.367 3.207 20 5 EGBDMM C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370699383 547789885 /nfs/dbraw/zinc/78/98/85/547789885.db2.gz LPTUBSFSCNHLGP-JSGCOSHPSA-N -1 1 341.367 3.104 20 5 EGBDMM CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728935264 574788480 /nfs/dbraw/zinc/78/84/80/574788480.db2.gz BSAIWFMDBYMJRF-UHFFFAOYSA-N -1 1 346.424 3.473 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000120172094 1293308922 /nfs/dbraw/zinc/30/89/22/1293308922.db2.gz OTUIGBIACMBQJJ-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1cccc(C)c1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132264319 1293714287 /nfs/dbraw/zinc/71/42/87/1293714287.db2.gz MGXPLOSQJSUSCA-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM COc1cc(/C=C\c2ncc(/C=C\C(=O)[O-])s2)cc([N+](=O)[O-])c1O ZINC000748441176 1299008512 /nfs/dbraw/zinc/00/85/12/1299008512.db2.gz JMXZTMQNFYZEOF-JVLMNHKTSA-N -1 1 348.336 3.034 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cc(Cl)c4c(c3)OCCO4)no2)[n-]1 ZINC000761412549 1301457252 /nfs/dbraw/zinc/45/72/52/1301457252.db2.gz JANWBQZFBAJERP-UHFFFAOYSA-N -1 1 348.702 3.065 20 5 EGBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 ZINC000800991799 1310849472 /nfs/dbraw/zinc/84/94/72/1310849472.db2.gz CQFRSLSGMSMXDE-LURJTMIESA-N -1 1 342.764 3.059 20 5 EGBDMM C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000928381449 1328298341 /nfs/dbraw/zinc/29/83/41/1328298341.db2.gz CPYWSJKWKVDOHC-SWLSCSKDSA-N -1 1 341.367 3.104 20 5 EGBDMM CCOC(=O)c1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC001210393665 1372341904 /nfs/dbraw/zinc/34/19/04/1372341904.db2.gz GONBJFLAPABOLD-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM COc1ccc2cccc(-c3noc(-c4[n-]cnc4[N+](=O)[O-])n3)c2c1 ZINC001212893047 1372791626 /nfs/dbraw/zinc/79/16/26/1372791626.db2.gz KCNDAPXKOFNRCO-UHFFFAOYSA-N -1 1 337.295 3.197 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001212893311 1372791657 /nfs/dbraw/zinc/79/16/57/1372791657.db2.gz XHRVIZBDIYXIEG-UHFFFAOYSA-N -1 1 334.295 3.097 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC)C(CC)CC ZINC001226311295 1375237601 /nfs/dbraw/zinc/23/76/01/1375237601.db2.gz VHHMTTIHMMTOBW-GFCCVEGCSA-N -1 1 340.376 3.466 20 5 EGBDMM CCCCOC[C@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395867 1375827347 /nfs/dbraw/zinc/82/73/47/1375827347.db2.gz MHMDFNRFOTYWEJ-STQMWFEESA-N -1 1 327.377 3.290 20 5 EGBDMM O=[N+]([O-])c1ccc(SCCCc2ccccc2)c(-c2nnn[n-]2)c1 ZINC000738366714 1429772958 /nfs/dbraw/zinc/77/29/58/1429772958.db2.gz ICNQUFSFNVXICF-UHFFFAOYSA-N -1 1 341.396 3.500 20 5 EGBDMM CO[C@H](C)c1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000736962754 1441780820 /nfs/dbraw/zinc/78/08/20/1441780820.db2.gz PXQGHTIZZGNYHU-SNVBAGLBSA-N -1 1 340.343 3.226 20 5 EGBDMM CC(C)(C)[C@@H]1CSCCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001589734930 987981640 /nfs/dbraw/zinc/98/16/40/987981640.db2.gz LGQCVGYJDAZUSB-AWEZNQCLSA-N -1 1 338.429 3.257 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c2ncccc12 ZINC000184766182 144098858 /nfs/dbraw/zinc/09/88/58/144098858.db2.gz ZPEVXQSWMIONDH-UHFFFAOYSA-N -1 1 347.327 3.083 20 5 EGBDMM O=[N+]([O-])c1ccc(CCSc2nc(-c3ccccn3)n[nH]2)cc1 ZINC000117115662 152087193 /nfs/dbraw/zinc/08/71/93/152087193.db2.gz LKZRINSXXXNBIC-UHFFFAOYSA-N -1 1 327.369 3.110 20 5 EGBDMM O=C(NC1(c2ccc(Cl)cc2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188279329 153009374 /nfs/dbraw/zinc/00/93/74/153009374.db2.gz SOCUFAYWGIWGFO-UHFFFAOYSA-N -1 1 347.758 3.158 20 5 EGBDMM CC(=O)Nc1ccc([O-])c(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000121659958 162245902 /nfs/dbraw/zinc/24/59/02/162245902.db2.gz WAERYMLGWHSIGS-UHFFFAOYSA-N -1 1 343.339 3.128 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000123290010 162254980 /nfs/dbraw/zinc/25/49/80/162254980.db2.gz PWHFQVYOERUFOD-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2ccc3[nH]ccc3c2)s1 ZINC000302166531 308731676 /nfs/dbraw/zinc/73/16/76/308731676.db2.gz LABKUZNMYRBOAW-UHFFFAOYSA-N -1 1 337.382 3.285 20 5 EGBDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000421144522 309314986 /nfs/dbraw/zinc/31/49/86/309314986.db2.gz VTBSCNKDRSKRKD-ZDUSSCGKSA-N -1 1 344.433 3.014 20 5 EGBDMM C[C@H](CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1)C(=O)[O-] ZINC000570100701 317007809 /nfs/dbraw/zinc/00/78/09/317007809.db2.gz VFSXQMNLMMETPC-GFCCVEGCSA-N -1 1 334.397 3.379 20 5 EGBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)c2C)o1 ZINC000161441960 455570304 /nfs/dbraw/zinc/57/03/04/455570304.db2.gz NIMXCBKDZWOSPM-UHFFFAOYSA-N -1 1 342.311 3.153 20 5 EGBDMM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000261703321 455931714 /nfs/dbraw/zinc/93/17/14/455931714.db2.gz KDRVNUGZUVQRJW-ZBINZKHDSA-N -1 1 338.791 3.466 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)c1C ZINC000303203952 456452045 /nfs/dbraw/zinc/45/20/45/456452045.db2.gz PAVSYJLCMONOBG-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1OCC(F)(F)F ZINC000340724071 456649400 /nfs/dbraw/zinc/64/94/00/456649400.db2.gz SDYOGZBHHQVNLU-UHFFFAOYSA-N -1 1 343.261 3.425 20 5 EGBDMM O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445479818 458055051 /nfs/dbraw/zinc/05/50/51/458055051.db2.gz KRRWERWCKCWLBU-UHFFFAOYSA-N -1 1 330.275 3.102 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000594734174 459144960 /nfs/dbraw/zinc/14/49/60/459144960.db2.gz RFVZTPUZBMDHIQ-PMPSAXMXSA-N -1 1 348.399 3.069 20 5 EGBDMM CCN(Cc1ccc(OC)cc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593740974 459970911 /nfs/dbraw/zinc/97/09/11/459970911.db2.gz YEAVDOYUWQVSRL-UHFFFAOYSA-N -1 1 344.367 3.324 20 5 EGBDMM COc1cccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000611343923 460340210 /nfs/dbraw/zinc/34/02/10/460340210.db2.gz ZSMBLEJODDNYMW-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=C(NCCc1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])c(F)c1 ZINC000613524377 460981808 /nfs/dbraw/zinc/98/18/08/460981808.db2.gz OTYLINJRMBNKQF-UHFFFAOYSA-N -1 1 338.722 3.065 20 5 EGBDMM CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742326152 576768772 /nfs/dbraw/zinc/76/87/72/576768772.db2.gz MEUJDPDHMPYOMQ-VHSXEESVSA-N -1 1 334.825 3.351 20 5 EGBDMM CC[C@](NCc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC000828988777 601353371 /nfs/dbraw/zinc/35/33/71/601353371.db2.gz DHRDHSVHMMBXMV-QGZVFWFLSA-N -1 1 332.331 3.214 20 5 EGBDMM O=C([N-]c1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000040420322 1291409362 /nfs/dbraw/zinc/40/93/62/1291409362.db2.gz DQDLPXSVXUMJKK-UHFFFAOYSA-N -1 1 341.201 3.173 20 5 EGBDMM CC(C)(C)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000830172894 1292678173 /nfs/dbraw/zinc/67/81/73/1292678173.db2.gz LOJYYRVMOYCSLH-UHFFFAOYSA-N -1 1 341.216 3.226 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cs1 ZINC000120120741 1293305871 /nfs/dbraw/zinc/30/58/71/1293305871.db2.gz JMEFXRLQRFHLBC-UHFFFAOYSA-N -1 1 336.753 3.250 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c(F)c1 ZINC000126181184 1293527552 /nfs/dbraw/zinc/52/75/52/1293527552.db2.gz OXRFHKNXWPJTLT-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CC(C)C(=O)Nc1cccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000772990195 1303602759 /nfs/dbraw/zinc/60/27/59/1303602759.db2.gz OTCPCZKMDQRTMP-UHFFFAOYSA-N -1 1 344.323 3.114 20 5 EGBDMM CC(C)C(=O)Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000773273286 1303653639 /nfs/dbraw/zinc/65/36/39/1303653639.db2.gz MNZGVOSHOVBZHW-UHFFFAOYSA-N -1 1 344.323 3.114 20 5 EGBDMM COc1cc(Br)cnc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392901 1372341792 /nfs/dbraw/zinc/34/17/92/1372341792.db2.gz PFSYRPSZYOXOMM-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cc(Br)cn3ccnc23)ccc1[O-] ZINC001210392801 1372341828 /nfs/dbraw/zinc/34/18/28/1372341828.db2.gz JWKFPHIOAZKDSM-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(C(F)(F)F)c(F)c2)no1 ZINC001212892995 1372791160 /nfs/dbraw/zinc/79/11/60/1372791160.db2.gz HSHSNWRRXLMWKQ-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM CCOc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1Cl ZINC001212892888 1372791351 /nfs/dbraw/zinc/79/13/51/1372791351.db2.gz ATFMUJFEIUVKKT-UHFFFAOYSA-N -1 1 335.707 3.087 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001212893192 1372791439 /nfs/dbraw/zinc/79/14/39/1372791439.db2.gz QOAWITUHOGMWKZ-UHFFFAOYSA-N -1 1 326.099 3.342 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC=CCCC1 ZINC001226311319 1375237297 /nfs/dbraw/zinc/23/72/97/1375237297.db2.gz VUEYQUSKGJBKFF-LLVKDONJSA-N -1 1 336.344 3.140 20 5 EGBDMM CCC[C@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])[C@H](C)CC ZINC001226310125 1375237535 /nfs/dbraw/zinc/23/75/35/1375237535.db2.gz MXDLODGEGFKCHJ-PWSUYJOCSA-N -1 1 340.376 3.466 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC)C(CC)CC ZINC001226311296 1375237807 /nfs/dbraw/zinc/23/78/07/1375237807.db2.gz VHHMTTIHMMTOBW-LBPRGKRZSA-N -1 1 340.376 3.466 20 5 EGBDMM O=c1c2cc(OC[C@@H]3CCC=CO3)c([O-])cc2oc2cccc(O)c12 ZINC001227306131 1375418443 /nfs/dbraw/zinc/41/84/43/1375418443.db2.gz GFROYLXDCOXKKM-NSHDSACASA-N -1 1 340.331 3.429 20 5 EGBDMM CN(C(=O)OC(C)(C)C)[C@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229397283 1375827877 /nfs/dbraw/zinc/82/78/77/1375827877.db2.gz GTUGCUACRPGTHS-HAQNSBGRSA-N -1 1 338.360 3.077 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CCc4nccn4C3)ccc12 ZINC001229513723 1375849521 /nfs/dbraw/zinc/84/95/21/1375849521.db2.gz CBNJNRKPPMNONU-AWEZNQCLSA-N -1 1 348.358 3.242 20 5 EGBDMM Cc1ccc(N2CCC[C@H](Oc3cc([N+](=O)[O-])c(C)cc3[O-])C2)nc1 ZINC001229755671 1375887397 /nfs/dbraw/zinc/88/73/97/1375887397.db2.gz ZKEBAWAUYDPNBK-AWEZNQCLSA-N -1 1 343.383 3.360 20 5 EGBDMM O=[N+]([O-])c1cccc(CCNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000826499676 1428834608 /nfs/dbraw/zinc/83/46/08/1428834608.db2.gz RVZANUZNMLGFSL-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM COc1ccccc1CSc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737154087 1425171040 /nfs/dbraw/zinc/17/10/40/1425171040.db2.gz ZPOOYSYGLPOGHX-UHFFFAOYSA-N -1 1 343.368 3.076 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822195399 1425630630 /nfs/dbraw/zinc/63/06/30/1425630630.db2.gz QRDCNFCEDIATGK-UHFFFAOYSA-N -1 1 342.334 3.143 20 5 EGBDMM C[C@@H](CCc1ccccc1)Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824406563 1425771184 /nfs/dbraw/zinc/77/11/84/1425771184.db2.gz NCRUIRBSNLTXGY-LBPRGKRZSA-N -1 1 338.371 3.208 20 5 EGBDMM O=[N+]([O-])c1cc(F)ccc1Sc1ccc(-c2nnn[n-]2)cc1F ZINC000823634139 1428177195 /nfs/dbraw/zinc/17/71/95/1428177195.db2.gz AYFTVPOWBJCTAG-UHFFFAOYSA-N -1 1 335.295 3.204 20 5 EGBDMM O=C([O-])c1ccccc1C1CCN(Cc2cccnc2[N+](=O)[O-])CC1 ZINC000903405856 969576659 /nfs/dbraw/zinc/57/66/59/969576659.db2.gz YKAKTOYQXQENFW-UHFFFAOYSA-N -1 1 341.367 3.068 20 5 EGBDMM CC[C@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)on1 ZINC000121629815 152362990 /nfs/dbraw/zinc/36/29/90/152362990.db2.gz HWHHGEYCZPOLQB-VIFPVBQESA-N -1 1 347.327 3.135 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(CC(C)C)s2)c1F ZINC000277448955 267794285 /nfs/dbraw/zinc/79/42/85/267794285.db2.gz OBWNORYTQXLYMS-UHFFFAOYSA-N -1 1 338.364 3.345 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1NC1CCC1 ZINC000501225701 311941294 /nfs/dbraw/zinc/94/12/94/311941294.db2.gz PRHMNYUTXSSXFZ-UHFFFAOYSA-N -1 1 347.396 3.360 20 5 EGBDMM COc1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000058168648 454167814 /nfs/dbraw/zinc/16/78/14/454167814.db2.gz AHCYCFREJPYSNX-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000079106552 454369365 /nfs/dbraw/zinc/36/93/65/454369365.db2.gz YHSQKBZDKJXLLZ-JTQLQIEISA-N -1 1 338.389 3.022 20 5 EGBDMM CC(C)N(Cc1cccc(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188484085 456070877 /nfs/dbraw/zinc/07/08/77/456070877.db2.gz SNYJLIBDPMLOSL-UHFFFAOYSA-N -1 1 349.774 3.400 20 5 EGBDMM O=C(Nc1cccc(OCc2ccccn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340745579 456664101 /nfs/dbraw/zinc/66/41/01/456664101.db2.gz ZDMWWSZHQDJMNJ-UHFFFAOYSA-N -1 1 338.323 3.149 20 5 EGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1csc([N+](=O)[O-])c1 ZINC000339137657 456959428 /nfs/dbraw/zinc/95/94/28/456959428.db2.gz UGVSZFVMBSUSHO-UHFFFAOYSA-N -1 1 330.325 3.004 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(-c4ccccc4)nc3)no2)[n-]1 ZINC000356512701 457030320 /nfs/dbraw/zinc/03/03/20/457030320.db2.gz BEDGLUASHFVQKC-UHFFFAOYSA-N -1 1 334.295 3.097 20 5 EGBDMM CC(=O)c1cc(F)c([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000347129973 457245272 /nfs/dbraw/zinc/24/52/72/457245272.db2.gz JJXOHBSUAUOWBM-UHFFFAOYSA-N -1 1 338.241 3.467 20 5 EGBDMM O=C(Nc1ccccc1NCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000354546978 457282013 /nfs/dbraw/zinc/28/20/13/457282013.db2.gz ZHDPMRSQIGVQBP-UHFFFAOYSA-N -1 1 328.250 3.149 20 5 EGBDMM COc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)c2ccccc2n1 ZINC000357186492 457364586 /nfs/dbraw/zinc/36/45/86/457364586.db2.gz KFWZWXYCROIIDO-UHFFFAOYSA-N -1 1 337.295 3.197 20 5 EGBDMM CC(C)(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000445025177 458007833 /nfs/dbraw/zinc/00/78/33/458007833.db2.gz ZSXJOKSECULJSU-AWEZNQCLSA-N -1 1 347.346 3.352 20 5 EGBDMM CCO[C@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000593744391 459971412 /nfs/dbraw/zinc/97/14/12/459971412.db2.gz RUWNONNSHNZIOQ-HOTGVXAUSA-N -1 1 348.399 3.073 20 5 EGBDMM CC[C@@H](C)N(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187546315 529349378 /nfs/dbraw/zinc/34/93/78/529349378.db2.gz NNKMJAYGICIFOU-GFCCVEGCSA-N -1 1 329.356 3.136 20 5 EGBDMM C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370699384 547790281 /nfs/dbraw/zinc/79/02/81/547790281.db2.gz LPTUBSFSCNHLGP-OCCSQVGLSA-N -1 1 341.367 3.104 20 5 EGBDMM CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000728936752 574788475 /nfs/dbraw/zinc/78/84/75/574788475.db2.gz RPCBRTIAEIXUDH-VXGBXAGGSA-N -1 1 344.408 3.227 20 5 EGBDMM CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000728936749 574788488 /nfs/dbraw/zinc/78/84/88/574788488.db2.gz RPCBRTIAEIXUDH-RYUDHWBXSA-N -1 1 344.408 3.227 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(C)c1 ZINC000731782676 575207094 /nfs/dbraw/zinc/20/70/94/575207094.db2.gz KGNFNMQYZIVMRR-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM CC(C)(C)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739977873 576527479 /nfs/dbraw/zinc/52/74/79/576527479.db2.gz REEWEGQXSAYNST-UHFFFAOYSA-N -1 1 334.825 3.353 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])ccc2F)c1 ZINC000744775714 576834237 /nfs/dbraw/zinc/83/42/37/576834237.db2.gz BGVLCYUOCNARIH-UHFFFAOYSA-N -1 1 347.298 3.042 20 5 EGBDMM CC(C)c1nc([C@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833513071 605006904 /nfs/dbraw/zinc/00/69/04/605006904.db2.gz ZRTPSYISDPVLNC-STUBTGCMSA-N -1 1 345.359 3.107 20 5 EGBDMM O=[N+]([O-])c1cc(NCc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000823634227 606644274 /nfs/dbraw/zinc/64/42/74/606644274.db2.gz DYVBIPXNBZIXIX-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829737358 1292613175 /nfs/dbraw/zinc/61/31/75/1292613175.db2.gz XNKCJEBSQHBWOU-UHFFFAOYSA-N -1 1 348.380 3.245 20 5 EGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[N+](=O)[O-] ZINC000134092352 1293762450 /nfs/dbraw/zinc/76/24/50/1293762450.db2.gz OSLHBRPMHYGBMU-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)cc1 ZINC000193982150 1295930246 /nfs/dbraw/zinc/93/02/46/1295930246.db2.gz NINNIWPQPTVXOM-UHFFFAOYSA-N -1 1 330.365 3.324 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1C ZINC000747840894 1298870552 /nfs/dbraw/zinc/87/05/52/1298870552.db2.gz RNAPINFJAUCHKM-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM Cc1cc(F)cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)c1[N+](=O)[O-] ZINC000760434174 1301271537 /nfs/dbraw/zinc/27/15/37/1301271537.db2.gz XIHMJARIGRETHV-UHFFFAOYSA-N -1 1 337.238 3.342 20 5 EGBDMM O=C(OCc1ncc(-c2cccs2)o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077412 1304635533 /nfs/dbraw/zinc/63/55/33/1304635533.db2.gz YIRHGYSNTQXIJJ-UHFFFAOYSA-N -1 1 346.320 3.374 20 5 EGBDMM CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809809799 1317905258 /nfs/dbraw/zinc/90/52/58/1317905258.db2.gz AEUIWYXBWAARNN-JGVFFNPUSA-N -1 1 338.788 3.100 20 5 EGBDMM CCCCC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920315605 1322162770 /nfs/dbraw/zinc/16/27/70/1322162770.db2.gz XQHICTXZABENHC-JTQLQIEISA-N -1 1 334.825 3.495 20 5 EGBDMM CCOC(=O)c1cc2ccc(N)cc2n1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC001210399622 1372343064 /nfs/dbraw/zinc/34/30/64/1372343064.db2.gz WEMIJFKMRICJFE-UHFFFAOYSA-N -1 1 341.323 3.003 20 5 EGBDMM CCOC(=O)c1cc(Nc2cc(F)c([O-])c(F)c2)cc([N+](=O)[O-])c1 ZINC001211373982 1372542927 /nfs/dbraw/zinc/54/29/27/1372542927.db2.gz CHUPVTBSNNWZEI-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(C(F)(F)F)cc2F)no1 ZINC001212893369 1372791108 /nfs/dbraw/zinc/79/11/08/1372791108.db2.gz ZVXDGKNSLOWEKE-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CNCC(F)(F)C3)ccc12 ZINC001218273674 1373587091 /nfs/dbraw/zinc/58/70/91/1373587091.db2.gz APXLBQFVOIQQIX-GFCCVEGCSA-N -1 1 347.317 3.028 20 5 EGBDMM COC(=O)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccc(F)cc1 ZINC001229751229 1375886569 /nfs/dbraw/zinc/88/65/69/1375886569.db2.gz TWHXMLGKGDYXBN-HNNXBMFYSA-N -1 1 335.287 3.041 20 5 EGBDMM CCCCc1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736466791 1425144840 /nfs/dbraw/zinc/14/48/40/1425144840.db2.gz NPPZYPKRDMRWHS-UHFFFAOYSA-N -1 1 339.359 3.256 20 5 EGBDMM O=[N+]([O-])c1ccccc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823648591 1441849673 /nfs/dbraw/zinc/84/96/73/1441849673.db2.gz XOZDKJVIXMKBCY-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM Cc1ccc2c(c1)[C@@H](Nc1ccc(-c3nnn[n-]3)cc1[N+](=O)[O-])CC2 ZINC000737371910 1444002152 /nfs/dbraw/zinc/00/21/52/1444002152.db2.gz PPPFDHUPQPEBMR-AWEZNQCLSA-N -1 1 336.355 3.183 20 5 EGBDMM Cc1cccc([C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C(=O)[O-])c1 ZINC001605331047 973210263 /nfs/dbraw/zinc/21/02/63/973210263.db2.gz UJSYKDWKCCAQLJ-OAHLLOKOSA-N -1 1 334.759 3.472 20 5 EGBDMM C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])C[C@H]1CC(=O)[O-] ZINC000902559310 980932035 /nfs/dbraw/zinc/93/20/35/980932035.db2.gz ITWNEBDSJUOQHA-RKDXNWHRSA-N -1 1 347.198 3.444 20 5 EGBDMM CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C(=O)[O-])cc1F ZINC001598501064 992435895 /nfs/dbraw/zinc/43/58/95/992435895.db2.gz BZTMJRFXKZBCJM-UHFFFAOYSA-N -1 1 332.331 3.107 20 5 EGBDMM CCOC(=O)c1c(C)c(C)sc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000070696408 202337369 /nfs/dbraw/zinc/33/73/69/202337369.db2.gz RBBZCAMZONUCCK-UHFFFAOYSA-N -1 1 338.341 3.295 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1 ZINC000174988751 144055284 /nfs/dbraw/zinc/05/52/84/144055284.db2.gz SSQXCDGWGKNASB-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM COc1cccc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000351501761 144270621 /nfs/dbraw/zinc/27/06/21/144270621.db2.gz YPTMNYMTBLVNOI-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccccc3Br)no2)[n-]1 ZINC000355892803 166340135 /nfs/dbraw/zinc/34/01/35/166340135.db2.gz OVGWNOFPWSGHLW-UHFFFAOYSA-N -1 1 349.144 3.326 20 5 EGBDMM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc([N+](=O)[O-])[n-]1 ZINC000298892469 308647553 /nfs/dbraw/zinc/64/75/53/308647553.db2.gz XXTVDCSYBKCNLI-UHFFFAOYSA-N -1 1 329.312 3.217 20 5 EGBDMM O=C(Nc1cc(F)cc(Cl)c1O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436901618 309780173 /nfs/dbraw/zinc/78/01/73/309780173.db2.gz CFJXJXJHQAXYFI-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000505785580 312034521 /nfs/dbraw/zinc/03/45/21/312034521.db2.gz VJQXWWWPCBGXGV-OAHLLOKOSA-N -1 1 347.346 3.304 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCc2cccc(Cl)c2)cc1 ZINC000506833139 312054993 /nfs/dbraw/zinc/05/49/93/312054993.db2.gz PYIIMMIEPIVUCF-UHFFFAOYSA-N -1 1 340.788 3.233 20 5 EGBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H]1C ZINC000516784374 312341913 /nfs/dbraw/zinc/34/19/13/312341913.db2.gz WGOKKNSDGDUSSR-JFGNBEQYSA-N -1 1 346.836 3.351 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000518657149 312424465 /nfs/dbraw/zinc/42/44/65/312424465.db2.gz HDTIRMTVDTVSEE-UHFFFAOYSA-N -1 1 346.836 3.497 20 5 EGBDMM CC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1[O-] ZINC000552069857 315195347 /nfs/dbraw/zinc/19/53/47/315195347.db2.gz NCGNUKTYCWYJII-UHFFFAOYSA-N -1 1 334.715 3.409 20 5 EGBDMM CCc1nc(SCc2ccc([N+](=O)[O-])cc2OC)[n-]c(=O)c1C ZINC000565549303 316338792 /nfs/dbraw/zinc/33/87/92/316338792.db2.gz LEVSDCFUKVLHFZ-UHFFFAOYSA-N -1 1 335.385 3.262 20 5 EGBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000176432174 323329647 /nfs/dbraw/zinc/32/96/47/323329647.db2.gz JTQHJQHEGVOJCB-UHFFFAOYSA-N -1 1 337.129 3.315 20 5 EGBDMM CSc1nsc([N-]C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n1 ZINC000084629029 454002191 /nfs/dbraw/zinc/00/21/91/454002191.db2.gz FFVDICIWZRFRCA-UHFFFAOYSA-N -1 1 330.778 3.074 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)c1 ZINC000047521568 454381430 /nfs/dbraw/zinc/38/14/30/454381430.db2.gz SOMDTEWWQAHFSV-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000093092687 454682081 /nfs/dbraw/zinc/68/20/81/454682081.db2.gz OIAUFBXDQKJILZ-UHFFFAOYSA-N -1 1 330.315 3.244 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC000135937041 454709894 /nfs/dbraw/zinc/70/98/94/454709894.db2.gz CDLMATKHPBTUAT-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM Cc1conc1[N-]C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000154586296 454910092 /nfs/dbraw/zinc/91/00/92/454910092.db2.gz YKYRBEJSHQATCS-UHFFFAOYSA-N -1 1 345.233 3.085 20 5 EGBDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000192731716 455680644 /nfs/dbraw/zinc/68/06/44/455680644.db2.gz VPDIPIGURKIZJT-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM CC[C@@H]1C[C@@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000337586236 456402920 /nfs/dbraw/zinc/40/29/20/456402920.db2.gz AGRWHUKFFNFMCW-ACJLOTCBSA-N -1 1 341.367 3.059 20 5 EGBDMM O=C(Nc1ccnn1-c1cccc(Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343436458 456620523 /nfs/dbraw/zinc/62/05/23/456620523.db2.gz CUPHZJORQPHSQB-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EGBDMM CN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1CCCN(c2ccccc2)C1 ZINC000353885904 456951169 /nfs/dbraw/zinc/95/11/69/456951169.db2.gz UMVFDEDWHXGLOY-QGZVFWFLSA-N -1 1 341.411 3.401 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)c1C ZINC000360043387 457220396 /nfs/dbraw/zinc/22/03/96/457220396.db2.gz XZOCPFWYYBKFAL-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2Cl)c(F)c1 ZINC000342641326 457423180 /nfs/dbraw/zinc/42/31/80/457423180.db2.gz QUMVCHKYAZXVIT-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000392993222 457462455 /nfs/dbraw/zinc/46/24/55/457462455.db2.gz ZNBKKMUFPTWJRW-UHFFFAOYSA-N -1 1 342.286 3.082 20 5 EGBDMM CC(C)c1ccc(CCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445007905 458004396 /nfs/dbraw/zinc/00/43/96/458004396.db2.gz KSAHKFKCVGUVIL-UHFFFAOYSA-N -1 1 343.383 3.181 20 5 EGBDMM COc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000445456171 458052262 /nfs/dbraw/zinc/05/22/62/458052262.db2.gz SLNVIDSOGJCHFI-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1[O-] ZINC000436822913 458388529 /nfs/dbraw/zinc/38/85/29/458388529.db2.gz XYCRNKZZPFNHML-UHFFFAOYSA-N -1 1 336.347 3.426 20 5 EGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000462306331 458609809 /nfs/dbraw/zinc/60/98/09/458609809.db2.gz AGHGBUKAOYTYQE-JTQLQIEISA-N -1 1 346.836 3.495 20 5 EGBDMM O=C([O-])CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CCC1 ZINC000594539498 459084516 /nfs/dbraw/zinc/08/45/16/459084516.db2.gz AEPAAPPKAHTEMS-UHFFFAOYSA-N -1 1 330.340 3.294 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C2CCCCC2)C1 ZINC000598471887 459906959 /nfs/dbraw/zinc/90/69/59/459906959.db2.gz NWKJNYUTKMURKV-CYBMUJFWSA-N -1 1 333.388 3.128 20 5 EGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000619752170 460430342 /nfs/dbraw/zinc/43/03/42/460430342.db2.gz KKXRIIFOKFEGAW-QMMMGPOBSA-N -1 1 346.817 3.349 20 5 EGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccsc1 ZINC000619752169 460430829 /nfs/dbraw/zinc/43/08/29/460430829.db2.gz KKXRIIFOKFEGAW-MRVPVSSYSA-N -1 1 346.817 3.349 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000342431139 518189416 /nfs/dbraw/zinc/18/94/16/518189416.db2.gz KUHJTWUJLGYGQU-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ccco1 ZINC000187156084 534767341 /nfs/dbraw/zinc/76/73/41/534767341.db2.gz QRLVIAHDNZSNNH-GFCCVEGCSA-N -1 1 331.328 3.046 20 5 EGBDMM Cc1[nH]nc(C(=O)[N-]c2ccccc2SC(F)(F)F)c1[N+](=O)[O-] ZINC000729355136 574845939 /nfs/dbraw/zinc/84/59/39/574845939.db2.gz YCPRTKHWPJHODD-UHFFFAOYSA-N -1 1 346.290 3.491 20 5 EGBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc2ccsc21 ZINC000826497504 607737841 /nfs/dbraw/zinc/73/78/41/607737841.db2.gz JHIVCBMQBIMPLS-UHFFFAOYSA-N -1 1 339.340 3.128 20 5 EGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc2ccsc21 ZINC000826497504 607737842 /nfs/dbraw/zinc/73/78/42/607737842.db2.gz JHIVCBMQBIMPLS-UHFFFAOYSA-N -1 1 339.340 3.128 20 5 EGBDMM COc1cc(/C=C/c2ncc(/C=C/C(=O)[O-])s2)cc([N+](=O)[O-])c1O ZINC000748441180 1299007611 /nfs/dbraw/zinc/00/76/11/1299007611.db2.gz JMXZTMQNFYZEOF-ZUVMSYQZSA-N -1 1 348.336 3.034 20 5 EGBDMM CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000768564976 1302935611 /nfs/dbraw/zinc/93/56/11/1302935611.db2.gz RFKRNYXIVHTLLR-SNVBAGLBSA-N -1 1 332.809 3.105 20 5 EGBDMM CCC[C@H](C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809805276 1317905624 /nfs/dbraw/zinc/90/56/24/1317905624.db2.gz SSIYPCIJDHNNGT-ZETCQYMHSA-N -1 1 341.216 3.369 20 5 EGBDMM CC(C)=CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000809836482 1317907730 /nfs/dbraw/zinc/90/77/30/1317907730.db2.gz MLUQLEAANFICOX-UHFFFAOYSA-N -1 1 339.200 3.146 20 5 EGBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c([O-])cccc1Cl ZINC000804176322 1317203430 /nfs/dbraw/zinc/20/34/30/1317203430.db2.gz KJVBNSSDJOHOFD-UHFFFAOYSA-N -1 1 334.759 3.269 20 5 EGBDMM CC(C)CN(CC(=O)[O-])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000901589772 1317450760 /nfs/dbraw/zinc/45/07/60/1317450760.db2.gz FTGMWWNRORUFTR-UHFFFAOYSA-N -1 1 332.356 3.397 20 5 EGBDMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809809798 1317905354 /nfs/dbraw/zinc/90/53/54/1317905354.db2.gz AEUIWYXBWAARNN-HTQZYQBOSA-N -1 1 338.788 3.100 20 5 EGBDMM CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815009531 1318866405 /nfs/dbraw/zinc/86/64/05/1318866405.db2.gz KNFQZWOOHJQJHP-UHFFFAOYSA-N -1 1 338.788 3.100 20 5 EGBDMM O=[N+]([O-])c1cccc(Nc2nc(Br)ccc2[O-])c1F ZINC001210379244 1372337745 /nfs/dbraw/zinc/33/77/45/1372337745.db2.gz VLKWTJZGBZGWBF-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccn3c(Br)cnc3c2)ccc1[O-] ZINC001210396256 1372341693 /nfs/dbraw/zinc/34/16/93/1372341693.db2.gz PLUXMEPRVGWTMI-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM C[C@H](Oc1nc[n-]c(=O)c1[N+](=O)[O-])c1ccccc1OC(F)(F)F ZINC001228140080 1375520186 /nfs/dbraw/zinc/52/01/86/1375520186.db2.gz FOEJKQCKYVQRAI-ZETCQYMHSA-N -1 1 345.233 3.129 20 5 EGBDMM O=C(c1ccco1)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC001229396787 1375827795 /nfs/dbraw/zinc/82/77/95/1375827795.db2.gz YUNVVYCIGQPESM-MRXNPFEDSA-N -1 1 329.264 3.489 20 5 EGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)no1 ZINC001229399167 1375827921 /nfs/dbraw/zinc/82/79/21/1375827921.db2.gz GRMOWSFWWJBJPJ-ZCFIWIBFSA-N -1 1 329.106 3.191 20 5 EGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 ZINC001251386017 1377085626 /nfs/dbraw/zinc/08/56/26/1377085626.db2.gz QCPINJLTRPIFHW-UHFFFAOYSA-N -1 1 327.296 3.005 20 5 EGBDMM COc1nc([N-][C@@H](c2ccccc2)C(F)(F)F)nc(C)c1[N+](=O)[O-] ZINC001170882287 1384403714 /nfs/dbraw/zinc/40/37/14/1384403714.db2.gz GCOLTORKUJLGIV-NSHDSACASA-N -1 1 342.277 3.417 20 5 EGBDMM CC(C)c1ccc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820192304 1425636774 /nfs/dbraw/zinc/63/67/74/1425636774.db2.gz ISEYKYPQAJWUIK-UHFFFAOYSA-N -1 1 342.384 3.445 20 5 EGBDMM C[C@@H](N[C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000820409725 1423834539 /nfs/dbraw/zinc/83/45/39/1423834539.db2.gz ABRRMAHVWTXXOE-NWDGAFQWSA-N -1 1 338.371 3.187 20 5 EGBDMM C[C@@H](N[C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1ccccc1[N+](=O)[O-] ZINC000820409725 1423834546 /nfs/dbraw/zinc/83/45/46/1423834546.db2.gz ABRRMAHVWTXXOE-NWDGAFQWSA-N -1 1 338.371 3.187 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2cccc(F)c2-c2nnn[n-]2)cc1Cl ZINC000738366684 1429758653 /nfs/dbraw/zinc/75/86/53/1429758653.db2.gz HNVRUBKXSRNRNB-UHFFFAOYSA-N -1 1 335.682 3.360 20 5 EGBDMM CC(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735928695 1425712151 /nfs/dbraw/zinc/71/21/51/1425712151.db2.gz QJBAJOYLTDJMMJ-UHFFFAOYSA-N -1 1 325.332 3.037 20 5 EGBDMM CCC[C@]1(C)CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821028429 1426315422 /nfs/dbraw/zinc/31/54/22/1426315422.db2.gz VQAGXMQCNDICLN-MRXNPFEDSA-N -1 1 330.392 3.182 20 5 EGBDMM CC(C)(C)c1ccc(Nc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000735648864 1442166518 /nfs/dbraw/zinc/16/65/18/1442166518.db2.gz ICZBJRTVLIEBJO-UHFFFAOYSA-N -1 1 339.359 3.211 20 5 EGBDMM CCC[C@@]1(C)CCCN(c2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821028428 1443404864 /nfs/dbraw/zinc/40/48/64/1443404864.db2.gz VQAGXMQCNDICLN-INIZCTEOSA-N -1 1 330.392 3.182 20 5 EGBDMM CCCCNc1cc(NCCCC)c([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000736460372 1446114057 /nfs/dbraw/zinc/11/40/57/1446114057.db2.gz GMNXPFVCGNHBKX-UHFFFAOYSA-N -1 1 333.396 3.199 20 5 EGBDMM C[C@@](NCc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001603248723 972417103 /nfs/dbraw/zinc/41/71/03/972417103.db2.gz PFHWTCJANPNGBV-INIZCTEOSA-N -1 1 334.759 3.338 20 5 EGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000261605714 961383016 /nfs/dbraw/zinc/38/30/16/961383016.db2.gz CVRZZKMIBHQGCD-NSHDSACASA-N -1 1 326.780 3.325 20 5 EGBDMM Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000910362240 981892087 /nfs/dbraw/zinc/89/20/87/981892087.db2.gz CNXLDJFXIASMCU-MRXNPFEDSA-N -1 1 341.367 3.200 20 5 EGBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001589468606 986933002 /nfs/dbraw/zinc/93/30/02/986933002.db2.gz KNNRUYJJKQMREZ-BDJLRTHQSA-N -1 1 332.331 3.286 20 5 EGBDMM COc1cccc([C@@H](N[C@H](C)c2ccccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001599658766 994623708 /nfs/dbraw/zinc/62/37/08/994623708.db2.gz DYMJTXVEZKKAOY-BDJLRTHQSA-N -1 1 330.340 3.080 20 5 EGBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001594208612 998806846 /nfs/dbraw/zinc/80/68/46/998806846.db2.gz UXQAADYTPKDUSS-UWVGGRQHSA-N -1 1 326.780 3.322 20 5 EGBDMM CSc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000031555850 201068516 /nfs/dbraw/zinc/06/85/16/201068516.db2.gz RNIZUIRMEZHKCE-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM O=c1[n-]c(Oc2cccc([N+](=O)[O-])c2)nc2c1cnn2-c1ccccc1 ZINC000301352684 206474187 /nfs/dbraw/zinc/47/41/87/206474187.db2.gz NFISPYJFXFFMLZ-UHFFFAOYSA-N -1 1 349.306 3.222 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000361592091 144333239 /nfs/dbraw/zinc/33/32/39/144333239.db2.gz VKAXWTQHYFNPOR-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1c(F)ccc(O)c1F ZINC000343856667 164051504 /nfs/dbraw/zinc/05/15/04/164051504.db2.gz SVXYOGVBJDTTOG-UHFFFAOYSA-N -1 1 344.657 3.190 20 5 EGBDMM O=C([N-]c1cc(F)c(OC(F)F)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000344297922 164149515 /nfs/dbraw/zinc/14/95/15/164149515.db2.gz ZUTCBWIPTYIXLD-UHFFFAOYSA-N -1 1 334.181 3.320 20 5 EGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000194631957 266133766 /nfs/dbraw/zinc/13/37/66/266133766.db2.gz CNEJVNIDQXUJRL-UHFFFAOYSA-N -1 1 348.380 3.184 20 5 EGBDMM CC(C)c1[nH]nc(C(=O)[N-]c2cc(F)c(F)cc2F)c1[N+](=O)[O-] ZINC000433756501 309695203 /nfs/dbraw/zinc/69/52/03/309695203.db2.gz LGDGUQRNVBDDBF-UHFFFAOYSA-N -1 1 328.250 3.111 20 5 EGBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000462306332 310598081 /nfs/dbraw/zinc/59/80/81/310598081.db2.gz AGHGBUKAOYTYQE-SNVBAGLBSA-N -1 1 346.836 3.495 20 5 EGBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000500100309 311918286 /nfs/dbraw/zinc/91/82/86/311918286.db2.gz RZLGHORRFPDJFV-JFGNBEQYSA-N -1 1 346.836 3.351 20 5 EGBDMM O=C(Nc1cc(Cc2ccccc2)ccc1O)c1ccc([N+](=O)[O-])[n-]1 ZINC000535420937 314045903 /nfs/dbraw/zinc/04/59/03/314045903.db2.gz XFBNWGRLCIOTJK-UHFFFAOYSA-N -1 1 337.335 3.472 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000558411129 315565831 /nfs/dbraw/zinc/56/58/31/315565831.db2.gz HHIUJBCUOXZRAR-UHFFFAOYSA-N -1 1 344.323 3.154 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)c1 ZINC000007053272 453023455 /nfs/dbraw/zinc/02/34/55/453023455.db2.gz JOHRWJUWRCBIPX-UHFFFAOYSA-N -1 1 332.381 3.274 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000018889515 453652527 /nfs/dbraw/zinc/65/25/27/453652527.db2.gz WSPBILAQSIUNQC-UHFFFAOYSA-N -1 1 326.765 3.305 20 5 EGBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2cccs2)n[nH]1 ZINC000089530964 454160232 /nfs/dbraw/zinc/16/02/32/454160232.db2.gz NBZFIMVAPORVEE-UHFFFAOYSA-N -1 1 330.325 3.004 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000170708393 454961602 /nfs/dbraw/zinc/96/16/02/454961602.db2.gz ALOIMQDYOGLEFI-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341571035 456877610 /nfs/dbraw/zinc/87/76/10/456877610.db2.gz ZZPXJIRYPKEABU-LBPRGKRZSA-N -1 1 349.774 3.100 20 5 EGBDMM CO[C@H](c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)c1ccccc1Cl ZINC000357546481 457588291 /nfs/dbraw/zinc/58/82/91/457588291.db2.gz JLWZJVBLQANLMF-LBPRGKRZSA-N -1 1 334.719 3.362 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1 ZINC000358185452 457845018 /nfs/dbraw/zinc/84/50/18/457845018.db2.gz IBHDZDOPIGJIOG-UHFFFAOYSA-N -1 1 332.263 3.026 20 5 EGBDMM CC(C)c1[nH]nc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1[N+](=O)[O-] ZINC000445483219 458055589 /nfs/dbraw/zinc/05/55/89/458055589.db2.gz SGKOSTSKSUNEQB-UHFFFAOYSA-N -1 1 333.279 3.003 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000521415774 459150537 /nfs/dbraw/zinc/15/05/37/459150537.db2.gz KBRPHVMMHDYPDA-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000541800291 459493346 /nfs/dbraw/zinc/49/33/46/459493346.db2.gz VTESKBXREAWDIY-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CC(C)CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000610264456 460099476 /nfs/dbraw/zinc/09/94/76/460099476.db2.gz XUQSVAKGNMOMNQ-ZDUSSCGKSA-N -1 1 343.449 3.119 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826498829 607450937 /nfs/dbraw/zinc/45/09/37/607450937.db2.gz LIYGVURLVJPGPR-OAHLLOKOSA-N -1 1 336.355 3.116 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccccc2)cc1-c1nn[n-]n1 ZINC000826498829 607450938 /nfs/dbraw/zinc/45/09/38/607450938.db2.gz LIYGVURLVJPGPR-OAHLLOKOSA-N -1 1 336.355 3.116 20 5 EGBDMM CC(C)(C)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000819957807 607160809 /nfs/dbraw/zinc/16/08/09/607160809.db2.gz FDLMAUNSMAGCCU-UHFFFAOYSA-N -1 1 340.343 3.260 20 5 EGBDMM CC(C)(C)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000819957807 607160811 /nfs/dbraw/zinc/16/08/11/607160811.db2.gz FDLMAUNSMAGCCU-UHFFFAOYSA-N -1 1 340.343 3.260 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccnc2Cl)c1C ZINC000152159589 1293956979 /nfs/dbraw/zinc/95/69/79/1293956979.db2.gz VCKQAFTWSBQYSU-UHFFFAOYSA-N -1 1 341.776 3.061 20 5 EGBDMM O=[N+]([O-])c1cc(F)cnc1-c1noc(-c2cc([O-])cc(Cl)c2)n1 ZINC001216702374 1373334205 /nfs/dbraw/zinc/33/42/05/1373334205.db2.gz PNURBMWWWXVENQ-UHFFFAOYSA-N -1 1 336.666 3.205 20 5 EGBDMM CC[C@H](COC)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306420 1375418409 /nfs/dbraw/zinc/41/84/09/1375418409.db2.gz JWPCERAPJKXSIF-SNVBAGLBSA-N -1 1 330.336 3.161 20 5 EGBDMM C[C@H](Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12)C1CC1 ZINC001234120694 1376769701 /nfs/dbraw/zinc/76/97/01/1376769701.db2.gz VGKRMCOCQDDUCB-QMMMGPOBSA-N -1 1 328.320 3.240 20 5 EGBDMM O=[N+]([O-])c1cc([O-])cc(-c2nc3cc(-n4ccnc4)c(F)cc3[nH]2)c1 ZINC001251389301 1377085435 /nfs/dbraw/zinc/08/54/35/1377085435.db2.gz GNGJNPGKKKGNDK-UHFFFAOYSA-N -1 1 339.286 3.169 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000826293185 1426709960 /nfs/dbraw/zinc/70/99/60/1426709960.db2.gz DZKJCMOEEGKHDD-LLVKDONJSA-N -1 1 325.328 3.223 20 5 EGBDMM C[C@H](Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000820555320 1427743682 /nfs/dbraw/zinc/74/36/82/1427743682.db2.gz JDMOZOQSPOTEKZ-QMMMGPOBSA-N -1 1 346.347 3.162 20 5 EGBDMM CCC(CC)(CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])SC ZINC000820887959 1429959410 /nfs/dbraw/zinc/95/94/10/1429959410.db2.gz ZDATZUVFAPYVBG-UHFFFAOYSA-N -1 1 336.421 3.109 20 5 EGBDMM C[C@H](Nc1cccc(F)c1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820461662 1442147869 /nfs/dbraw/zinc/14/78/69/1442147869.db2.gz PEJCNYSZQWEOAH-VIFPVBQESA-N -1 1 328.307 3.087 20 5 EGBDMM CCC(CC)[C@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC000825096739 1443215664 /nfs/dbraw/zinc/21/56/64/1443215664.db2.gz QEZLDYGJLQUFAO-HNNXBMFYSA-N -1 1 348.407 3.028 20 5 EGBDMM C[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000736298978 1446236650 /nfs/dbraw/zinc/23/66/50/1446236650.db2.gz RKIYGWATFNKEAJ-HWPZZCPQSA-N -1 1 336.355 3.120 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820409723 1446341575 /nfs/dbraw/zinc/34/15/75/1446341575.db2.gz ABRRMAHVWTXXOE-NEPJUHHUSA-N -1 1 338.371 3.187 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820409723 1446341577 /nfs/dbraw/zinc/34/15/77/1446341577.db2.gz ABRRMAHVWTXXOE-NEPJUHHUSA-N -1 1 338.371 3.187 20 5 EGBDMM C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@]1(C)C(=O)[O-] ZINC001599930020 985294518 /nfs/dbraw/zinc/29/45/18/985294518.db2.gz KFRNFPXGOUDVHP-XPTSAGLGSA-N -1 1 346.305 3.156 20 5 EGBDMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001599500143 997101530 /nfs/dbraw/zinc/10/15/30/997101530.db2.gz FNSYILNKSLMZDH-LLVKDONJSA-N -1 1 330.340 3.152 20 5 EGBDMM CN(Cc1csc2ccccc12)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186941824 144147743 /nfs/dbraw/zinc/14/77/43/144147743.db2.gz QZPBHXXMFBUWCD-UHFFFAOYSA-N -1 1 343.364 3.182 20 5 EGBDMM C[C@H](c1cccc(Cl)c1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188153453 144169341 /nfs/dbraw/zinc/16/93/41/144169341.db2.gz VHQUFIFJQOBJGW-SECBINFHSA-N -1 1 335.747 3.182 20 5 EGBDMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187025939 153006717 /nfs/dbraw/zinc/00/67/17/153006717.db2.gz YTIVLPXUCIGSIF-LBPRGKRZSA-N -1 1 343.383 3.182 20 5 EGBDMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303062569 154036191 /nfs/dbraw/zinc/03/61/91/154036191.db2.gz UYDLZHYAOILVGK-LBPRGKRZSA-N -1 1 343.383 3.182 20 5 EGBDMM O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000362073036 157008215 /nfs/dbraw/zinc/00/82/15/157008215.db2.gz SVXLWFYERYFULS-UHFFFAOYSA-N -1 1 349.759 3.347 20 5 EGBDMM Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000180742863 275203834 /nfs/dbraw/zinc/20/38/34/275203834.db2.gz OXJPVDDKWHFDGQ-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000106006500 301863687 /nfs/dbraw/zinc/86/36/87/301863687.db2.gz SGAZGFUPJNXGMR-NSHDSACASA-N -1 1 348.380 3.027 20 5 EGBDMM Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1C ZINC000323261972 308768560 /nfs/dbraw/zinc/76/85/60/308768560.db2.gz CGIBAAKGCKYJQJ-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=C(NCCCCc1ccc([N+](=O)[O-])cc1)c1c([O-])cccc1F ZINC000436510940 309758027 /nfs/dbraw/zinc/75/80/27/309758027.db2.gz JTERJRCUDFQYEO-UHFFFAOYSA-N -1 1 332.331 3.192 20 5 EGBDMM CC(C)CN(Cc1ccccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444999653 309934470 /nfs/dbraw/zinc/93/44/70/309934470.db2.gz WRJPONSKENQQJD-UHFFFAOYSA-N -1 1 347.346 3.133 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000463433245 310612674 /nfs/dbraw/zinc/61/26/74/310612674.db2.gz ZQWHLAAKTPZACZ-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000492977026 311313602 /nfs/dbraw/zinc/31/36/02/311313602.db2.gz OIVMYHTVRVLQLJ-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000512958403 312198980 /nfs/dbraw/zinc/19/89/80/312198980.db2.gz HHWLNRSMZUCNCB-GHMZBOCLSA-N -1 1 346.836 3.353 20 5 EGBDMM CN(CC(=O)Nc1ccc([O-])c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000173379547 455276513 /nfs/dbraw/zinc/27/65/13/455276513.db2.gz RBVBAEXCPDYYKL-UHFFFAOYSA-N -1 1 335.747 3.029 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1O ZINC000126089434 454869573 /nfs/dbraw/zinc/86/95/73/454869573.db2.gz USLGOYCXLJFOOX-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000192731437 455680996 /nfs/dbraw/zinc/68/09/96/455680996.db2.gz GAPSUCSPCXSUNS-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM COC(=O)c1cc([N-]C(=O)c2cc(C(C)C)no2)c(C)c([N+](=O)[O-])c1 ZINC000276897131 456614135 /nfs/dbraw/zinc/61/41/35/456614135.db2.gz NVBOOBUIEYHABA-UHFFFAOYSA-N -1 1 347.327 3.054 20 5 EGBDMM Cc1noc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353509094 456723336 /nfs/dbraw/zinc/72/33/36/456723336.db2.gz YSKDEGBUAHTMFB-UHFFFAOYSA-N -1 1 327.243 3.053 20 5 EGBDMM COc1c(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cnc2ccccc21 ZINC000356894967 457205360 /nfs/dbraw/zinc/20/53/60/457205360.db2.gz OMGXUAYMLQQTTF-UHFFFAOYSA-N -1 1 337.295 3.197 20 5 EGBDMM CC[C@@H](C)Oc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccn1 ZINC000357335517 457454517 /nfs/dbraw/zinc/45/45/17/457454517.db2.gz QUWUVWFBIPRRLR-SECBINFHSA-N -1 1 329.316 3.212 20 5 EGBDMM COc1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1[N+](=O)[O-] ZINC000436882004 458399362 /nfs/dbraw/zinc/39/93/62/458399362.db2.gz ZQYGFZHEMUIIIW-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM CCSCc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC000471787020 458729955 /nfs/dbraw/zinc/72/99/55/458729955.db2.gz LKIWDDSVUJOQBK-UHFFFAOYSA-N -1 1 325.321 3.227 20 5 EGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000573690442 459720021 /nfs/dbraw/zinc/72/00/21/459720021.db2.gz XRXNFSZURWDSOX-ZDUSSCGKSA-N -1 1 344.367 3.251 20 5 EGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1CCc2cccc(C(=O)[O-])c2C1 ZINC000593754335 459975322 /nfs/dbraw/zinc/97/53/22/459975322.db2.gz WQZXYDBFHMDNJA-LBPRGKRZSA-N -1 1 326.352 3.412 20 5 EGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000742304859 576767508 /nfs/dbraw/zinc/76/75/08/576767508.db2.gz ZJSLWMBXNQRPHM-SNVBAGLBSA-N -1 1 346.836 3.495 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(F)ccc2[N+](=O)[O-])c1 ZINC000744878852 576836174 /nfs/dbraw/zinc/83/61/74/576836174.db2.gz YXXDQMZGNLBTRM-UHFFFAOYSA-N -1 1 347.298 3.042 20 5 EGBDMM C[C@H](CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000827454833 601305556 /nfs/dbraw/zinc/30/55/56/601305556.db2.gz GYKUKRHNRCMOGW-CYBMUJFWSA-N -1 1 346.358 3.457 20 5 EGBDMM C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000833555207 604675126 /nfs/dbraw/zinc/67/51/26/604675126.db2.gz SEFWCCFBQWJTJH-INIZCTEOSA-N -1 1 347.396 3.015 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000077688189 1292481682 /nfs/dbraw/zinc/48/16/82/1292481682.db2.gz QVFHAPJLMVWANZ-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129545636 1293626724 /nfs/dbraw/zinc/62/67/24/1293626724.db2.gz BUTVMXOEUFTGQI-UHFFFAOYSA-N -1 1 335.747 3.272 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(C)c1 ZINC000132258827 1293714067 /nfs/dbraw/zinc/71/40/67/1293714067.db2.gz BSQLGZIJBWCCMW-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000192726246 1295793836 /nfs/dbraw/zinc/79/38/36/1295793836.db2.gz SSVJNEXWIZFJTQ-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3c2CCCC3)c1 ZINC000748639571 1299053197 /nfs/dbraw/zinc/05/31/97/1299053197.db2.gz KHBJQRNAAMEKRP-UHFFFAOYSA-N -1 1 332.381 3.274 20 5 EGBDMM Cc1ccccc1CSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000769421472 1303111107 /nfs/dbraw/zinc/11/11/07/1303111107.db2.gz POHNLTQZGMEPOY-UHFFFAOYSA-N -1 1 344.392 3.093 20 5 EGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] ZINC000784216468 1305208707 /nfs/dbraw/zinc/20/87/07/1305208707.db2.gz QURSYGIPOJAWJD-SECBINFHSA-N -1 1 332.268 3.127 20 5 EGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000788159454 1305885345 /nfs/dbraw/zinc/88/53/45/1305885345.db2.gz XYFXDYLCTISGOX-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1Cl ZINC000788218080 1305900078 /nfs/dbraw/zinc/90/00/78/1305900078.db2.gz YIINLNIBLGFPQB-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1cccc(F)c1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000800052196 1310662707 /nfs/dbraw/zinc/66/27/07/1310662707.db2.gz KMHMHGYHFUXCCC-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=C([O-])CCN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000901971777 1317503727 /nfs/dbraw/zinc/50/37/27/1317503727.db2.gz KWCNGHSBZGMTHV-UHFFFAOYSA-N -1 1 347.396 3.157 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000917055596 1319746226 /nfs/dbraw/zinc/74/62/26/1319746226.db2.gz DOGMRNULDFLRCI-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM CCOC(=O)c1cc2ccc(N)cc2n1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201222879 1369498419 /nfs/dbraw/zinc/49/84/19/1369498419.db2.gz RBDRQMCLMCYJBF-UHFFFAOYSA-N -1 1 341.323 3.003 20 5 EGBDMM Nc1ccc2n(-c3cc([O-])cc([N+](=O)[O-])c3)c3ccccc3cc-2c1=O ZINC001201230026 1369499839 /nfs/dbraw/zinc/49/98/39/1369499839.db2.gz UTHKRFNWUBGXBI-UHFFFAOYSA-N -1 1 347.330 3.292 20 5 EGBDMM O=[N+]([O-])c1ccccc1[N-]c1nc(Br)cn2ccnc12 ZINC001206144593 1370971099 /nfs/dbraw/zinc/97/10/99/1370971099.db2.gz OJQYWOLSSBVYFF-UHFFFAOYSA-N -1 1 334.133 3.144 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3cccc([O-])c3Cl)c-2cc1=O ZINC001210860291 1372442333 /nfs/dbraw/zinc/44/23/33/1372442333.db2.gz VIYFTUFFERVJAZ-UHFFFAOYSA-N -1 1 337.766 3.432 20 5 EGBDMM CCC[C@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])C(C)C ZINC001226309355 1375236622 /nfs/dbraw/zinc/23/66/22/1375236622.db2.gz FFGHLFSMMPHRCN-NSHDSACASA-N -1 1 326.349 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCCC[C@H]1CC ZINC001226309683 1375236672 /nfs/dbraw/zinc/23/66/72/1375236672.db2.gz HUMFBAHFZAUKJT-ZYHUDNBSSA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CCCC(C)C ZINC001226309291 1375236812 /nfs/dbraw/zinc/23/68/12/1375236812.db2.gz FBFCCGABPRTGTA-LLVKDONJSA-N -1 1 340.376 3.466 20 5 EGBDMM CCC[C@@H](Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-])[C@@H](C)CC ZINC001226310123 1375237726 /nfs/dbraw/zinc/23/77/26/1375237726.db2.gz MXDLODGEGFKCHJ-CMPLNLGQSA-N -1 1 340.376 3.466 20 5 EGBDMM CCCCOC[C@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860434 1375696640 /nfs/dbraw/zinc/69/66/40/1375696640.db2.gz UOGZNCHQBBDWPO-QMMMGPOBSA-N -1 1 338.282 3.298 20 5 EGBDMM Cc1ccc([C@H](Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001229377548 1375823743 /nfs/dbraw/zinc/82/37/43/1375823743.db2.gz CMCFPFHHHGNJTK-NSHDSACASA-N -1 1 343.261 3.390 20 5 EGBDMM Cc1ccc(N2CCC[C@@H](Oc3cc([N+](=O)[O-])ccc3[O-])C2)nc1 ZINC001229396383 1375826619 /nfs/dbraw/zinc/82/66/19/1375826619.db2.gz SNZBLDZVTFAWSC-CQSZACIVSA-N -1 1 329.356 3.052 20 5 EGBDMM CCOC(=O)[C@@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1 ZINC001229749653 1375884780 /nfs/dbraw/zinc/88/47/80/1375884780.db2.gz GJZJIYGQEAGHPT-INIZCTEOSA-N -1 1 331.324 3.292 20 5 EGBDMM COc1cccc(OC[C@H](C)Oc2cc([N+](=O)[O-])c(C)cc2[O-])c1 ZINC001229752613 1375885701 /nfs/dbraw/zinc/88/57/01/1375885701.db2.gz CGLNBZVSQZYRJJ-LBPRGKRZSA-N -1 1 333.340 3.464 20 5 EGBDMM CC[C@@H](Nc1nccc(C)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825149492 1428323712 /nfs/dbraw/zinc/32/37/12/1428323712.db2.gz YUJBOTYZZRFJAA-CYBMUJFWSA-N -1 1 339.359 3.042 20 5 EGBDMM O=[N+]([O-])c1ccccc1CCNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823647918 1429706417 /nfs/dbraw/zinc/70/64/17/1429706417.db2.gz PWBALLIHSIKBPY-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM CCc1ccc(Oc2ccc(Cl)c(-c3nnn[n-]3)n2)c([N+](=O)[O-])c1 ZINC000821486361 1427238254 /nfs/dbraw/zinc/23/82/54/1427238254.db2.gz DHYBIOUZKLORBC-UHFFFAOYSA-N -1 1 346.734 3.178 20 5 EGBDMM CC(C)Oc1ccc(Oc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000735912620 1428186801 /nfs/dbraw/zinc/18/68/01/1428186801.db2.gz GQUDVCRNTZEFFR-UHFFFAOYSA-N -1 1 341.327 3.354 20 5 EGBDMM O=C([O-])Cc1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000846236925 979417302 /nfs/dbraw/zinc/41/73/02/979417302.db2.gz NAMIYWFRYBZASW-UHFFFAOYSA-N -1 1 340.379 3.387 20 5 EGBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001594207534 998800302 /nfs/dbraw/zinc/80/03/02/998800302.db2.gz FIRZCGHQAYZDJQ-UWVGGRQHSA-N -1 1 326.780 3.322 20 5 EGBDMM CC(C)n1c(CCNc2ncc([N+](=O)[O-])cc2Cl)n[n-]c1=S ZINC000075092946 203300053 /nfs/dbraw/zinc/30/00/53/203300053.db2.gz HMNGYKKQDAATCI-UHFFFAOYSA-N -1 1 342.812 3.133 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1scnc1C(F)(F)F ZINC000096749140 162044626 /nfs/dbraw/zinc/04/46/26/162044626.db2.gz SLHQGXWVLHQXNF-UHFFFAOYSA-N -1 1 347.274 3.331 20 5 EGBDMM O=C([N-]c1nnc(-c2ccccc2)s1)c1csc([N+](=O)[O-])c1 ZINC000344066679 164095560 /nfs/dbraw/zinc/09/55/60/164095560.db2.gz SDCZWEPYCDQLSF-UHFFFAOYSA-N -1 1 332.366 3.427 20 5 EGBDMM CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000346016520 164318819 /nfs/dbraw/zinc/31/88/19/164318819.db2.gz AQXUARGEIYXMIZ-UHFFFAOYSA-N -1 1 342.277 3.260 20 5 EGBDMM Cc1csc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000357789369 293048785 /nfs/dbraw/zinc/04/87/85/293048785.db2.gz CMOBYZDYWLFETN-UHFFFAOYSA-N -1 1 348.203 3.436 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)cc1F ZINC000165133868 307929104 /nfs/dbraw/zinc/92/91/04/307929104.db2.gz RRBLCJCAXAOTGP-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297276292 308516856 /nfs/dbraw/zinc/51/68/56/308516856.db2.gz QEOLWPHLWYXZRL-LSDHHAIUSA-N -1 1 341.367 3.104 20 5 EGBDMM Cc1noc(C)c1[N-]C(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000429824103 309590899 /nfs/dbraw/zinc/59/08/99/309590899.db2.gz CVPMORNGVXWOQP-UHFFFAOYSA-N -1 1 340.133 3.214 20 5 EGBDMM O=[N+]([O-])c1cccc(OCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445458132 309941505 /nfs/dbraw/zinc/94/15/05/309941505.db2.gz VLGQHFMXBNTTTO-UHFFFAOYSA-N -1 1 331.259 3.069 20 5 EGBDMM O=[N+]([O-])c1cccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)c1 ZINC000507597600 312078786 /nfs/dbraw/zinc/07/87/86/312078786.db2.gz SAWRMXSODSTDOE-UHFFFAOYSA-N -1 1 347.802 3.276 20 5 EGBDMM C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000512958406 312198883 /nfs/dbraw/zinc/19/88/83/312198883.db2.gz HHWLNRSMZUCNCB-WDEREUQCSA-N -1 1 346.836 3.353 20 5 EGBDMM CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516344252 312320900 /nfs/dbraw/zinc/32/09/00/312320900.db2.gz INCGHOBYUANFKH-PWSUYJOCSA-N -1 1 346.836 3.495 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000543858139 314660385 /nfs/dbraw/zinc/66/03/85/314660385.db2.gz GRPCRJBKBDPHJC-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1csc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000092788009 454632361 /nfs/dbraw/zinc/63/23/61/454632361.db2.gz RSXVVUGKZNUTEF-GFCCVEGCSA-N -1 1 333.413 3.445 20 5 EGBDMM CCCc1[nH]nc(C(=O)[N-]c2cc(-c3ccccc3)on2)c1[N+](=O)[O-] ZINC000176643767 454767623 /nfs/dbraw/zinc/76/76/23/454767623.db2.gz VOYNHILUBNQTIY-UHFFFAOYSA-N -1 1 341.327 3.178 20 5 EGBDMM CC(C)c1nnc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])s1 ZINC000267347803 455543838 /nfs/dbraw/zinc/54/38/38/455543838.db2.gz LEGFVLPQCKPMTI-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000192731739 455681085 /nfs/dbraw/zinc/68/10/85/455681085.db2.gz AYXOUWAOKIPEBA-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM CCc1cc(=O)[n-]c(SCc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000188097735 455996676 /nfs/dbraw/zinc/99/66/76/455996676.db2.gz OCQMFBBIYGRUDD-UHFFFAOYSA-N -1 1 325.777 3.186 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](COc2ccccc2)C1 ZINC000339080970 456931176 /nfs/dbraw/zinc/93/11/76/456931176.db2.gz UFVGEOHBHCBGHU-CQSZACIVSA-N -1 1 328.368 3.201 20 5 EGBDMM CSc1nsc([N-]C(=O)c2cccc(SC)c2[N+](=O)[O-])n1 ZINC000362721176 457060656 /nfs/dbraw/zinc/06/06/56/457060656.db2.gz FLRYGODLMGYCRA-UHFFFAOYSA-N -1 1 342.427 3.142 20 5 EGBDMM O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1)c1ccoc1 ZINC000354446318 457228434 /nfs/dbraw/zinc/22/84/34/457228434.db2.gz VTTWRBZDKHKWCT-UHFFFAOYSA-N -1 1 340.295 3.021 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCCCF)cc1C(F)(F)F ZINC000342468549 457320274 /nfs/dbraw/zinc/32/02/74/457320274.db2.gz ZXFZSZMLUDGNCJ-UHFFFAOYSA-N -1 1 344.286 3.105 20 5 EGBDMM COc1ccc2c(c1)CCC[C@@H]2c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357604849 457619039 /nfs/dbraw/zinc/61/90/39/457619039.db2.gz UFIXOGZDNFDRBZ-ZDUSSCGKSA-N -1 1 340.339 3.450 20 5 EGBDMM COc1c(-c2nc(-c3ccc([O-])cc3F)no2)cccc1[N+](=O)[O-] ZINC000436871880 458397493 /nfs/dbraw/zinc/39/74/93/458397493.db2.gz JEBRNVDSTFQYSE-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cc(C)ccc1C ZINC000437020688 458422703 /nfs/dbraw/zinc/42/27/03/458422703.db2.gz QDJPVICOUFDDMW-UHFFFAOYSA-N -1 1 339.355 3.286 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@](C)(C(=O)[O-])C1 ZINC000573617295 459705659 /nfs/dbraw/zinc/70/56/59/459705659.db2.gz TZYPKKWCIQDHQH-KRWDZBQOSA-N -1 1 336.388 3.069 20 5 EGBDMM COc1ccc([C@H](C)N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000593732404 459967126 /nfs/dbraw/zinc/96/71/26/459967126.db2.gz KWLRJLNJNFXAFL-LBPRGKRZSA-N -1 1 344.367 3.495 20 5 EGBDMM CC(C)(C)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000610086203 460061320 /nfs/dbraw/zinc/06/13/20/460061320.db2.gz GJLMOAFUUVVPFI-UHFFFAOYSA-N -1 1 334.825 3.353 20 5 EGBDMM C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735083961 575601124 /nfs/dbraw/zinc/60/11/24/575601124.db2.gz YXWJZPUWYXNJMY-IWIIMEHWSA-N -1 1 346.836 3.351 20 5 EGBDMM C[C@H](Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736190342 575910221 /nfs/dbraw/zinc/91/02/21/575910221.db2.gz DCVPDSSAGLGHKZ-QMMMGPOBSA-N -1 1 346.347 3.162 20 5 EGBDMM CC(=O)c1csc(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)c1 ZINC000106606279 1293052080 /nfs/dbraw/zinc/05/20/80/1293052080.db2.gz BBMRJKWKMJLZBC-UHFFFAOYSA-N -1 1 326.280 3.389 20 5 EGBDMM C[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1Cl ZINC000119342451 1293266752 /nfs/dbraw/zinc/26/67/52/1293266752.db2.gz IMQQYJFMXCHDAM-QMMMGPOBSA-N -1 1 346.817 3.349 20 5 EGBDMM CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132262905 1293714024 /nfs/dbraw/zinc/71/40/24/1293714024.db2.gz NWBJMMIYECLBDJ-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM O=C1[N-]C(=O)C(=Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)S1 ZINC000874927514 1298166774 /nfs/dbraw/zinc/16/67/74/1298166774.db2.gz IZMBDTBFJIHTRJ-YHYXMXQVSA-N -1 1 333.350 3.042 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000758115725 1300788314 /nfs/dbraw/zinc/78/83/14/1300788314.db2.gz ZTNVZMQOFSEACX-UHFFFAOYSA-N -1 1 347.298 3.042 20 5 EGBDMM O=C(OCc1ncc(-c2ccccc2)o1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049751 1303036084 /nfs/dbraw/zinc/03/60/84/1303036084.db2.gz VSKYPKIEXCRAJZ-UHFFFAOYSA-N -1 1 340.291 3.312 20 5 EGBDMM Cc1cc(C)c(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c(C)c1 ZINC000780072944 1304635462 /nfs/dbraw/zinc/63/54/62/1304635462.db2.gz WAZCXSZVNVOCHH-UHFFFAOYSA-N -1 1 343.335 3.265 20 5 EGBDMM O=C(OCc1cc(-c2ccccc2)no1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076526 1304635587 /nfs/dbraw/zinc/63/55/87/1304635587.db2.gz RHQFWIFVQBVEBL-UHFFFAOYSA-N -1 1 340.291 3.312 20 5 EGBDMM O=[N+]([O-])c1cccc([N+](=O)[O-])c1[N-]c1ccn(-c2ccccc2)n1 ZINC000804426308 1317235095 /nfs/dbraw/zinc/23/50/95/1317235095.db2.gz HTZGDABXJRMJAQ-UHFFFAOYSA-N -1 1 325.284 3.432 20 5 EGBDMM CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827593 1317907477 /nfs/dbraw/zinc/90/74/77/1317907477.db2.gz ASFIPGQZPNMLFD-MRVPVSSYSA-N -1 1 338.788 3.100 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1Nc1cc2ccc([O-])cc2oc1=O ZINC001210444694 1372355218 /nfs/dbraw/zinc/35/52/18/1372355218.db2.gz PZBSKAWJJCQINZ-UHFFFAOYSA-N -1 1 328.280 3.159 20 5 EGBDMM CCOC(=O)c1cc(Nc2cc(F)c([O-])cc2F)cc([N+](=O)[O-])c1 ZINC001211374283 1372542981 /nfs/dbraw/zinc/54/29/81/1372542981.db2.gz NHWNUWUUAKYOJU-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001226309341 1375236766 /nfs/dbraw/zinc/23/67/66/1375236766.db2.gz FDSMBWUTAKLRCK-OUAUKWLOSA-N -1 1 338.360 3.076 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1nccs1 ZINC001228857972 1375695042 /nfs/dbraw/zinc/69/50/42/1375695042.db2.gz AAHOKSYCPUAEDK-YFKPBYRVSA-N -1 1 335.263 3.311 20 5 EGBDMM O=[N+]([O-])c1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000738358249 1427062240 /nfs/dbraw/zinc/06/22/40/1427062240.db2.gz CWXJDWRNNLWDCC-UHFFFAOYSA-N -1 1 345.359 3.347 20 5 EGBDMM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822221453 1429308813 /nfs/dbraw/zinc/30/88/13/1429308813.db2.gz PEZUSIYZJWCMRK-UHFFFAOYSA-N -1 1 345.746 3.316 20 5 EGBDMM CC(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820191999 1429700207 /nfs/dbraw/zinc/70/02/07/1429700207.db2.gz DGYQCWOXKWNAAT-UHFFFAOYSA-N -1 1 325.332 3.037 20 5 EGBDMM Cc1ccc([C@@H](C)CNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737321674 1429999167 /nfs/dbraw/zinc/99/91/67/1429999167.db2.gz UVIRRERLLQLPEI-LBPRGKRZSA-N -1 1 338.371 3.299 20 5 EGBDMM O=[N+]([O-])c1cccc(CSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000738366676 1442326921 /nfs/dbraw/zinc/32/69/21/1442326921.db2.gz HFUUYGBZCZTUGS-UHFFFAOYSA-N -1 1 345.359 3.347 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(CSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000738360557 1446371502 /nfs/dbraw/zinc/37/15/02/1446371502.db2.gz QVCHZIGRCFOUFU-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM Cc1cccc([C@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001605331001 973209952 /nfs/dbraw/zinc/20/99/52/973209952.db2.gz TXXIBFMFMGXZRZ-HNNXBMFYSA-N -1 1 334.759 3.472 20 5 EGBDMM O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(O)cc([N+](=O)[O-])c1 ZINC000354600525 141313185 /nfs/dbraw/zinc/31/31/85/141313185.db2.gz MBKVKXADOOTZGM-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC2(C1)CCCCCC2 ZINC000187146469 144153578 /nfs/dbraw/zinc/15/35/78/144153578.db2.gz CPELIHKQEYFKIA-UHFFFAOYSA-N -1 1 333.388 3.272 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(F)c(Cl)c2)cc1 ZINC000194649947 266134800 /nfs/dbraw/zinc/13/48/00/266134800.db2.gz BHDNPWLIRRHFRL-UHFFFAOYSA-N -1 1 344.751 3.329 20 5 EGBDMM CCc1cc(=O)[n-]c(SCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000195069410 266158804 /nfs/dbraw/zinc/15/88/04/266158804.db2.gz NGJPSECYWQUHMB-UHFFFAOYSA-N -1 1 325.777 3.186 20 5 EGBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccccc1 ZINC000107307960 275171408 /nfs/dbraw/zinc/17/14/08/275171408.db2.gz JAANQOJKQIKJJL-JTQLQIEISA-N -1 1 340.788 3.288 20 5 EGBDMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361911570 280687097 /nfs/dbraw/zinc/68/70/97/280687097.db2.gz LCLFQAIYEGMRNM-LBPRGKRZSA-N -1 1 345.355 3.040 20 5 EGBDMM Cc1cc(F)c(Br)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000235855229 301294950 /nfs/dbraw/zinc/29/49/50/301294950.db2.gz DMMIWLPNQPLPJX-UHFFFAOYSA-N -1 1 342.124 3.385 20 5 EGBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000564128788 316115937 /nfs/dbraw/zinc/11/59/37/316115937.db2.gz IDPSVOWLGMXRBD-UHFFFAOYSA-N -1 1 334.397 3.462 20 5 EGBDMM O=C([N-]c1nc(-c2ccccc2)ns1)c1csc([N+](=O)[O-])c1 ZINC000055410589 453982932 /nfs/dbraw/zinc/98/29/32/453982932.db2.gz PYICJAQTGKFONU-UHFFFAOYSA-N -1 1 332.366 3.427 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cccc1[N+](=O)[O-] ZINC000119679230 454213128 /nfs/dbraw/zinc/21/31/28/454213128.db2.gz LUAPKYLRQHUPPU-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1O ZINC000047383629 454366423 /nfs/dbraw/zinc/36/64/23/454366423.db2.gz WGGYBZGPSNJCJX-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM CC(C)COC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000299214522 456634228 /nfs/dbraw/zinc/63/42/28/456634228.db2.gz JEHHQZLSOGGTBI-UHFFFAOYSA-N -1 1 346.343 3.380 20 5 EGBDMM CC[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341571032 456877367 /nfs/dbraw/zinc/87/73/67/456877367.db2.gz ZZPXJIRYPKEABU-GFCCVEGCSA-N -1 1 349.774 3.100 20 5 EGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OCC(F)(F)F)c1 ZINC000347097221 457227227 /nfs/dbraw/zinc/22/72/27/457227227.db2.gz KXGSRGXSTMJKFO-UHFFFAOYSA-N -1 1 343.261 3.425 20 5 EGBDMM CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465487593 458827827 /nfs/dbraw/zinc/82/78/27/458827827.db2.gz DUNRPXSJGXGXSJ-KOLCDFICSA-N -1 1 332.809 3.105 20 5 EGBDMM O=C([O-])c1coc(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000583945999 459624261 /nfs/dbraw/zinc/62/42/61/459624261.db2.gz MJNNKNKOPKYTOK-CYBMUJFWSA-N -1 1 330.340 3.266 20 5 EGBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000574727111 459860102 /nfs/dbraw/zinc/86/01/02/459860102.db2.gz ZMTVNKCOKHNDNF-UHFFFAOYSA-N -1 1 344.323 3.154 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](C2CCCCC2)C1 ZINC000598776513 460029443 /nfs/dbraw/zinc/02/94/43/460029443.db2.gz MEASDGANHSLELJ-CYBMUJFWSA-N -1 1 333.388 3.128 20 5 EGBDMM Cc1cnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c([N+](=O)[O-])c1 ZINC000611143483 460295687 /nfs/dbraw/zinc/29/56/87/460295687.db2.gz XWIGOCCQGXGKMR-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccccc1)CC1CCC1 ZINC000187090632 534767971 /nfs/dbraw/zinc/76/79/71/534767971.db2.gz WYQKAFGOXYMYDO-UHFFFAOYSA-N -1 1 341.367 3.138 20 5 EGBDMM CC(C)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000820198523 599248845 /nfs/dbraw/zinc/24/88/45/599248845.db2.gz ZEBWKVYNHDKIAX-UHFFFAOYSA-N -1 1 326.316 3.086 20 5 EGBDMM CC(C)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000820198523 599248846 /nfs/dbraw/zinc/24/88/46/599248846.db2.gz ZEBWKVYNHDKIAX-UHFFFAOYSA-N -1 1 326.316 3.086 20 5 EGBDMM O=[N+]([O-])c1cc(COc2cccc(F)c2-c2nnn[n-]2)ccc1Cl ZINC000826497755 607866536 /nfs/dbraw/zinc/86/65/36/607866536.db2.gz SWUMAHNFIQFQKH-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cc(COc2cccc(F)c2-c2nn[n-]n2)ccc1Cl ZINC000826497755 607866537 /nfs/dbraw/zinc/86/65/37/607866537.db2.gz SWUMAHNFIQFQKH-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000014256982 1291140514 /nfs/dbraw/zinc/14/05/14/1291140514.db2.gz WZUQSDNSFISBKZ-UHFFFAOYSA-N -1 1 349.412 3.242 20 5 EGBDMM O=C(O[C@H]1CCCc2ccccc2C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075027 1304635751 /nfs/dbraw/zinc/63/57/51/1304635751.db2.gz IUPXWXIZAFEJDZ-INIZCTEOSA-N -1 1 341.319 3.045 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1Cl ZINC000788216421 1305898380 /nfs/dbraw/zinc/89/83/80/1305898380.db2.gz KDTIJVSAWKRDEU-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OCc1ccccc1 ZINC000790494585 1306337447 /nfs/dbraw/zinc/33/74/47/1306337447.db2.gz BCWRUVDBLYJOJE-UHFFFAOYSA-N -1 1 338.722 3.178 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])C[C@@H]1C ZINC000903938664 1317751829 /nfs/dbraw/zinc/75/18/29/1317751829.db2.gz CBOPEZMKPBHLDL-STQMWFEESA-N -1 1 336.388 3.067 20 5 EGBDMM Cc1nc([N-]c2ccc([N+](=O)[O-])nc2)nc(Cl)c1Br ZINC001203561206 1370169973 /nfs/dbraw/zinc/16/99/73/1370169973.db2.gz UXECCKBNZGORCA-UHFFFAOYSA-N -1 1 344.556 3.248 20 5 EGBDMM COc1cnc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210394563 1372341254 /nfs/dbraw/zinc/34/12/54/1372341254.db2.gz YPYZDBWCTDMERM-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM NC(=O)c1c(Nc2ccc([O-])c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC001210393462 1372341384 /nfs/dbraw/zinc/34/13/84/1372341384.db2.gz VFFSGJFILXLDGT-UHFFFAOYSA-N -1 1 333.369 3.083 20 5 EGBDMM COc1cc(Br)nc(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210396556 1372342420 /nfs/dbraw/zinc/34/24/20/1372342420.db2.gz UUBCDXRPTLFXHQ-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM O=[N+]([O-])c1c(-c2nc(-c3ccccc3)no2)n[n-]c1C(F)(F)F ZINC001212973315 1372809042 /nfs/dbraw/zinc/80/90/42/1372809042.db2.gz WFYCVMSCMDUMEW-UHFFFAOYSA-N -1 1 325.206 3.054 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccccn1 ZINC001228859672 1375696968 /nfs/dbraw/zinc/69/69/68/1375696968.db2.gz MZPBLCYTUAQLRG-SSDOTTSWSA-N -1 1 329.234 3.249 20 5 EGBDMM Cc1ccc([C@@H](Oc2nc(C)[n-]c(=O)c2[N+](=O)[O-])C(F)(F)F)cc1 ZINC001229377547 1375823063 /nfs/dbraw/zinc/82/30/63/1375823063.db2.gz CMCFPFHHHGNJTK-LLVKDONJSA-N -1 1 343.261 3.390 20 5 EGBDMM COc1cc(C)nc([N-][C@@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001157685011 1381000924 /nfs/dbraw/zinc/00/09/24/1381000924.db2.gz SAPCMPYNPVZUET-LBPRGKRZSA-N -1 1 342.277 3.417 20 5 EGBDMM C[C@@H](c1ccccc1F)N(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736205421 1429511122 /nfs/dbraw/zinc/51/11/22/1429511122.db2.gz VYSKSQZQEYRAAY-JTQLQIEISA-N -1 1 342.334 3.111 20 5 EGBDMM CC[C@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000736370379 1424803630 /nfs/dbraw/zinc/80/36/30/1424803630.db2.gz QJSPTXRDSBXLGY-JTQLQIEISA-N -1 1 345.388 3.103 20 5 EGBDMM C[C@@H](CNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)Cc1cccs1 ZINC000820280963 1425970295 /nfs/dbraw/zinc/97/02/95/1425970295.db2.gz QCIYQXQFBOJYCY-SNVBAGLBSA-N -1 1 344.400 3.127 20 5 EGBDMM C[C@@H](CN(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1ccccc1 ZINC000736002051 1427580538 /nfs/dbraw/zinc/58/05/38/1427580538.db2.gz OPLOCYIVQRFHGB-LBPRGKRZSA-N -1 1 338.371 3.015 20 5 EGBDMM Cc1ccccc1[C@H](C)N(C)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000737424673 1441587315 /nfs/dbraw/zinc/58/73/15/1441587315.db2.gz WQIHLUIYXMQCFC-LBPRGKRZSA-N -1 1 338.371 3.281 20 5 EGBDMM CN(Cc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000736827986 1441719485 /nfs/dbraw/zinc/71/94/85/1441719485.db2.gz FCLKGRYTTNFMKO-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCC[C@@]2(CC=CCC2)C1 ZINC000738357964 1446148746 /nfs/dbraw/zinc/14/87/46/1446148746.db2.gz JJHQEUXJGICRMD-KRWDZBQOSA-N -1 1 340.387 3.102 20 5 EGBDMM CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)CC(=O)[O-] ZINC001333137303 961653045 /nfs/dbraw/zinc/65/30/45/961653045.db2.gz SYFUJOADASLTIV-UHFFFAOYSA-N -1 1 349.412 3.403 20 5 EGBDMM C[C@@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001589468608 986933015 /nfs/dbraw/zinc/93/30/15/986933015.db2.gz KNNRUYJJKQMREZ-BZNIZROVSA-N -1 1 332.331 3.286 20 5 EGBDMM C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CC(=O)[O-] ZINC001598520126 992669785 /nfs/dbraw/zinc/66/97/85/992669785.db2.gz ZINHGMXAQACKSY-UHFFFAOYSA-N -1 1 345.193 3.042 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1O ZINC000055616322 214334497 /nfs/dbraw/zinc/33/44/97/214334497.db2.gz MUGAZRLDKKUTMS-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM CC(C)(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187554480 144161299 /nfs/dbraw/zinc/16/12/99/144161299.db2.gz ASUUOAONONOWQL-CQSZACIVSA-N -1 1 329.356 3.213 20 5 EGBDMM O=C(NC1CC(c2ccccc2Cl)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000341167814 155203084 /nfs/dbraw/zinc/20/30/84/155203084.db2.gz HWPWLSFWJCCIPM-UHFFFAOYSA-N -1 1 347.758 3.025 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000359979270 156862845 /nfs/dbraw/zinc/86/28/45/156862845.db2.gz VWDHLFAGSDHQTF-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2F)n1 ZINC000343673489 164009416 /nfs/dbraw/zinc/00/94/16/164009416.db2.gz RCHWTCJZWGCLGU-UHFFFAOYSA-N -1 1 343.318 3.117 20 5 EGBDMM COc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc(Cl)c1[O-] ZINC000352184297 165273450 /nfs/dbraw/zinc/27/34/50/165273450.db2.gz OXAHCHVASHNNHD-UHFFFAOYSA-N -1 1 340.694 3.354 20 5 EGBDMM COc1ccc2nc(-c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)ccc2c1 ZINC000355773843 166303890 /nfs/dbraw/zinc/30/38/90/166303890.db2.gz RDHDEUUJNPOCER-UHFFFAOYSA-N -1 1 337.295 3.197 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000195450841 266183279 /nfs/dbraw/zinc/18/32/79/266183279.db2.gz ZEQQLRBDHSCLCA-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM Cc1c(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)oc2c1C(=O)CCC2 ZINC000298817746 308642307 /nfs/dbraw/zinc/64/23/07/308642307.db2.gz MISKVXHKBLGYCX-UHFFFAOYSA-N -1 1 332.287 3.407 20 5 EGBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1[O-] ZINC000436592582 309763549 /nfs/dbraw/zinc/76/35/49/309763549.db2.gz WQAXJEVQMSZKGI-UHFFFAOYSA-N -1 1 336.347 3.426 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1[N+](=O)[O-] ZINC000442849940 309888975 /nfs/dbraw/zinc/88/89/75/309888975.db2.gz ONYAJUCLGRIJIC-UHFFFAOYSA-N -1 1 348.336 3.150 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452858450 310246061 /nfs/dbraw/zinc/24/60/61/310246061.db2.gz ROHADBCHATXUPH-CYBMUJFWSA-N -1 1 344.342 3.459 20 5 EGBDMM CCOc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2NC(C)C)on1 ZINC000456161887 310391320 /nfs/dbraw/zinc/39/13/20/310391320.db2.gz JPFODWUGZSRAMV-UHFFFAOYSA-N -1 1 334.332 3.054 20 5 EGBDMM CCCCN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000473073166 310772213 /nfs/dbraw/zinc/77/22/13/310772213.db2.gz OMVDGSVWCWZQGM-UHFFFAOYSA-N -1 1 328.372 3.338 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)c(C)c1 ZINC000055547436 453994302 /nfs/dbraw/zinc/99/43/02/453994302.db2.gz AYPPKSGXZCUXKS-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=C(c1cc(Cl)ccc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251969 454096543 /nfs/dbraw/zinc/09/65/43/454096543.db2.gz HWFXOOVEZXDLKB-UHFFFAOYSA-N -1 1 332.743 3.152 20 5 EGBDMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000131726002 454279980 /nfs/dbraw/zinc/27/99/80/454279980.db2.gz RJHSRTJOQWFCNR-QWHCGFSZSA-N -1 1 341.367 3.022 20 5 EGBDMM COc1ccc([N-]C(=O)c2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])c1 ZINC000078711759 454303386 /nfs/dbraw/zinc/30/33/86/454303386.db2.gz BYDLHXDVLGZNOY-UHFFFAOYSA-N -1 1 344.220 3.412 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cccc3cnccc32)cc1[N+](=O)[O-] ZINC000135604376 454693584 /nfs/dbraw/zinc/69/35/84/454693584.db2.gz WSDBMZSFBQWNBG-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000189031212 456205374 /nfs/dbraw/zinc/20/53/74/456205374.db2.gz LYSOTZSGTBKBAO-CYBMUJFWSA-N -1 1 347.758 3.326 20 5 EGBDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000339073152 456926883 /nfs/dbraw/zinc/92/68/83/456926883.db2.gz VRPFTYIWFAPBAS-ZDUSSCGKSA-N -1 1 338.367 3.337 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(CCCOc3ccc(F)cc3)no2)[n-]1 ZINC000356161891 457497359 /nfs/dbraw/zinc/49/73/59/457497359.db2.gz IMTFHRALLWRGJF-UHFFFAOYSA-N -1 1 332.291 3.124 20 5 EGBDMM Cc1ccccc1[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000445024927 458007984 /nfs/dbraw/zinc/00/79/84/458007984.db2.gz XZBNGQOUYOCMFT-HNNXBMFYSA-N -1 1 329.356 3.131 20 5 EGBDMM C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445217973 458028270 /nfs/dbraw/zinc/02/82/70/458028270.db2.gz VHZCVOOLBOXDCO-BZNIZROVSA-N -1 1 341.367 3.139 20 5 EGBDMM Cc1c(Cc2noc(-c3cc(F)ccc3[O-])n2)cccc1[N+](=O)[O-] ZINC000436945836 458411410 /nfs/dbraw/zinc/41/14/10/458411410.db2.gz QMJVQWWVSMRQCS-UHFFFAOYSA-N -1 1 329.287 3.389 20 5 EGBDMM CCc1nc(SCCOc2ccccc2[N+](=O)[O-])[n-]c(=O)c1C ZINC000521069696 459118790 /nfs/dbraw/zinc/11/87/90/459118790.db2.gz RAEGCTWIZLOCHT-UHFFFAOYSA-N -1 1 335.385 3.132 20 5 EGBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C ZINC000543857812 459707289 /nfs/dbraw/zinc/70/72/89/459707289.db2.gz BKLSPWMRYBKUOL-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM CN(C)[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccsc1 ZINC000566294159 459837812 /nfs/dbraw/zinc/83/78/12/459837812.db2.gz AEHXJCBUXGHQIF-AWEZNQCLSA-N -1 1 335.385 3.069 20 5 EGBDMM O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604076319 460375685 /nfs/dbraw/zinc/37/56/85/460375685.db2.gz QFHDKCQRLYEYGM-UHFFFAOYSA-N -1 1 347.334 3.490 20 5 EGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1O ZINC000612997833 460797620 /nfs/dbraw/zinc/79/76/20/460797620.db2.gz HYLCUBKAMPPRRZ-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM C[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000342778898 518179746 /nfs/dbraw/zinc/17/97/46/518179746.db2.gz KOCTTXDMTATMFE-IUODEOHRSA-N -1 1 341.367 3.309 20 5 EGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000186834086 535801866 /nfs/dbraw/zinc/80/18/66/535801866.db2.gz OCWCHBFXXHVQBR-GFCCVEGCSA-N -1 1 335.747 3.230 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C(=O)[O-])c1ccccc1 ZINC000736494958 575974265 /nfs/dbraw/zinc/97/42/65/575974265.db2.gz SMDRCUIMIKIUTR-KRWDZBQOSA-N -1 1 344.367 3.298 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000736494960 575974358 /nfs/dbraw/zinc/97/43/58/575974358.db2.gz SMDRCUIMIKIUTR-QGZVFWFLSA-N -1 1 344.367 3.298 20 5 EGBDMM O=[N+]([O-])c1c([N-]c2cnn(Cc3ccccc3)c2)nc2ccccn21 ZINC000052488596 1291707407 /nfs/dbraw/zinc/70/74/07/1291707407.db2.gz NOYKFNISUDUGQT-UHFFFAOYSA-N -1 1 334.339 3.231 20 5 EGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132263909 1293713977 /nfs/dbraw/zinc/71/39/77/1293713977.db2.gz MAONOGQKBXMOAG-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1ccc(CN2Cc3ccccc3[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000872159800 1296779522 /nfs/dbraw/zinc/77/95/22/1296779522.db2.gz PDBZNROXIPRJSI-INIZCTEOSA-N -1 1 326.352 3.087 20 5 EGBDMM Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000725816622 1298369159 /nfs/dbraw/zinc/36/91/59/1298369159.db2.gz JJLBWWCVUPUOOO-UHFFFAOYSA-N -1 1 340.788 3.035 20 5 EGBDMM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725816822 1298369312 /nfs/dbraw/zinc/36/93/12/1298369312.db2.gz ZFZOPWMJIFQTGR-KOLCDFICSA-N -1 1 332.809 3.105 20 5 EGBDMM Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)[nH]c1C ZINC000749578687 1299239836 /nfs/dbraw/zinc/23/98/36/1299239836.db2.gz FDUWAZWLRXKLLJ-UHFFFAOYSA-N -1 1 325.328 3.182 20 5 EGBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768796420 1302981779 /nfs/dbraw/zinc/98/17/79/1302981779.db2.gz IGPRTQMXLMEZPU-CQSZACIVSA-N -1 1 340.426 3.332 20 5 EGBDMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000768920170 1303013552 /nfs/dbraw/zinc/01/35/52/1303013552.db2.gz MZUQIWCTAPLUFO-SECBINFHSA-N -1 1 332.809 3.105 20 5 EGBDMM O=C(OCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])cc1F ZINC000773569882 1303709011 /nfs/dbraw/zinc/70/90/11/1303709011.db2.gz XHIJTZKMNRWERA-UHFFFAOYSA-N -1 1 325.679 3.450 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc(F)c(Br)c2)ccc1[O-] ZINC001210392984 1372340980 /nfs/dbraw/zinc/34/09/80/1372340980.db2.gz RKNGVUQBFXGGMF-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc3c(C(F)(F)F)cnn3c2)ccc1[O-] ZINC001210396185 1372341051 /nfs/dbraw/zinc/34/10/51/1372341051.db2.gz LZYFAMJUMIRVKZ-UHFFFAOYSA-N -1 1 339.233 3.106 20 5 EGBDMM CC(C)(C)c1nc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn2n1 ZINC001210395408 1372341524 /nfs/dbraw/zinc/34/15/24/1372341524.db2.gz VQOKDKLTOWWPRD-UHFFFAOYSA-N -1 1 327.344 3.384 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3ccc([O-])c(F)c3F)c-2cc1=O ZINC001212014036 1372646914 /nfs/dbraw/zinc/64/69/14/1372646914.db2.gz WGIUPQLPFZLYOR-UHFFFAOYSA-N -1 1 339.301 3.057 20 5 EGBDMM O=c1cc[n-]c(O[C@@H](c2ccccc2)C2CCOCC2)c1[N+](=O)[O-] ZINC001225667985 1375140546 /nfs/dbraw/zinc/14/05/46/1375140546.db2.gz XQDWMAHSTKBNEX-INIZCTEOSA-N -1 1 330.340 3.242 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1C[C@H](C)C[C@@H](C)C1 ZINC001226309819 1375237057 /nfs/dbraw/zinc/23/70/57/1375237057.db2.gz JXOMLHZCTWMFBG-NXEZZACHSA-N -1 1 338.360 3.076 20 5 EGBDMM COCC(=O)c1ccc([O-])cc1O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227171551 1375401934 /nfs/dbraw/zinc/40/19/34/1375401934.db2.gz FAEOQKOQAPMIDI-LLVKDONJSA-N -1 1 331.324 3.270 20 5 EGBDMM CC(C)Oc1ccc(COc2nc[n-]c(=O)c2[N+](=O)[O-])cc1Cl ZINC001228139872 1375520148 /nfs/dbraw/zinc/52/01/48/1375520148.db2.gz BWDFZRHTXMBNHT-UHFFFAOYSA-N -1 1 339.735 3.110 20 5 EGBDMM C[C@@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC001228859200 1375697593 /nfs/dbraw/zinc/69/75/93/1375697593.db2.gz IZIHQPZROZCZBI-SSDOTTSWSA-N -1 1 329.234 3.249 20 5 EGBDMM CC(C)(C)OC(=O)N1CCC(Oc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001229397769 1375828513 /nfs/dbraw/zinc/82/85/13/1375828513.db2.gz MEHGIYVZDAVRNB-UHFFFAOYSA-N -1 1 338.360 3.079 20 5 EGBDMM O=[N+]([O-])C[C@@H](Oc1cc([O-])c(Cl)cc1Cl)c1cccnc1 ZINC001229412152 1375830609 /nfs/dbraw/zinc/83/06/09/1375830609.db2.gz ZIOSEPWBPUJZHO-CYBMUJFWSA-N -1 1 329.139 3.491 20 5 EGBDMM C[C@@H](O)CCCC(=O)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229513678 1375850154 /nfs/dbraw/zinc/85/01/54/1375850154.db2.gz ALCNWTIIDVTVSR-LLVKDONJSA-N -1 1 342.347 3.108 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC2(CCCCC2)C1 ZINC000738360856 1428214552 /nfs/dbraw/zinc/21/45/52/1428214552.db2.gz ZZEHFTGQUUJAIS-UHFFFAOYSA-N -1 1 342.403 3.326 20 5 EGBDMM O=[N+]([O-])c1cc(N2CCC[C@H]2c2ccccc2)ccc1-c1nnn[n-]1 ZINC000823635193 1429588436 /nfs/dbraw/zinc/58/84/36/1429588436.db2.gz SRLJABKBJWFPRY-HNNXBMFYSA-N -1 1 336.355 3.116 20 5 EGBDMM CC[C@@H](Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])c1nc(C)cs1 ZINC000736370380 1429893656 /nfs/dbraw/zinc/89/36/56/1429893656.db2.gz QJSPTXRDSBXLGY-SNVBAGLBSA-N -1 1 345.388 3.103 20 5 EGBDMM COc1cc(F)c([N+](=O)[O-])c(Sc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826179766 1441917238 /nfs/dbraw/zinc/91/72/38/1441917238.db2.gz DAYLRPANQZFMBJ-UHFFFAOYSA-N -1 1 347.331 3.074 20 5 EGBDMM CCC[C@@H](CC)Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000821014730 1441978590 /nfs/dbraw/zinc/97/85/90/1441978590.db2.gz KIVJHAHPSWHEED-SNVBAGLBSA-N -1 1 341.375 3.314 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(OCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826498361 1442105644 /nfs/dbraw/zinc/10/56/44/1442105644.db2.gz RKLYNKIUGSGQDZ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CCc2ccc(F)cc21 ZINC000738357159 1443232369 /nfs/dbraw/zinc/23/23/69/1443232369.db2.gz DOHMLLTVVFKAGJ-CYBMUJFWSA-N -1 1 340.318 3.013 20 5 EGBDMM CCS[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825669407 1443361291 /nfs/dbraw/zinc/36/12/91/1443361291.db2.gz XJOAMXHYZVGBSQ-TZMCWYRMSA-N -1 1 348.432 3.251 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000823640156 1443971984 /nfs/dbraw/zinc/97/19/84/1443971984.db2.gz VNOJGZVGJGGSLQ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nnn[n-]3)n2)c2ccccc21 ZINC000826499398 948414808 /nfs/dbraw/zinc/41/48/08/948414808.db2.gz HJDJXTOTXUIOQM-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2cccc(-c3nn[n-]n3)n2)c2ccccc21 ZINC000826499398 948414814 /nfs/dbraw/zinc/41/48/14/948414814.db2.gz HJDJXTOTXUIOQM-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM Cc1cccc([C@@H](NCc2ccc(Cl)cc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001594398034 958792551 /nfs/dbraw/zinc/79/25/51/958792551.db2.gz PLQUEJJWZPMAPB-OAHLLOKOSA-N -1 1 334.759 3.472 20 5 EGBDMM C[C@@H]1CCC[C@H](C(=O)[O-])N1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC001594216328 959332723 /nfs/dbraw/zinc/33/27/23/959332723.db2.gz ROESWJPXFMIJOY-NOZJJQNGSA-N -1 1 346.305 3.441 20 5 EGBDMM O=C([O-])Cc1ccccc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000846238101 979417242 /nfs/dbraw/zinc/41/72/42/979417242.db2.gz SRIDSSMXTBKHQY-UHFFFAOYSA-N -1 1 340.379 3.387 20 5 EGBDMM CC(C)[C@@H]1N(Cc2ccc(OCC(=O)[O-])c([N+](=O)[O-])c2)CC12CCC2 ZINC001591100107 991719468 /nfs/dbraw/zinc/71/94/68/991719468.db2.gz SDULIUKBOFBKHX-KRWDZBQOSA-N -1 1 348.399 3.069 20 5 EGBDMM CN(Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)CC(=O)[O-] ZINC001598525831 992719525 /nfs/dbraw/zinc/71/95/25/992719525.db2.gz QSNNNXVZTUXLMA-UHFFFAOYSA-N -1 1 345.193 3.042 20 5 EGBDMM O=C([O-])[C@@H]1CCCCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000263448898 141050019 /nfs/dbraw/zinc/05/00/19/141050019.db2.gz YWNBOIYMMNCXMD-HNNXBMFYSA-N -1 1 330.340 3.294 20 5 EGBDMM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000185857306 144120977 /nfs/dbraw/zinc/12/09/77/144120977.db2.gz BGCZMWTUDIMSDA-HNNXBMFYSA-N -1 1 341.367 3.290 20 5 EGBDMM CCN(Cc1cccc(Cl)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186891710 144146372 /nfs/dbraw/zinc/14/63/72/144146372.db2.gz YWGKEVJMFXHRNG-UHFFFAOYSA-N -1 1 335.747 3.011 20 5 EGBDMM Cc1ccc([O-])c(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000345941575 164300395 /nfs/dbraw/zinc/30/03/95/164300395.db2.gz OWUXFVFTAVTFSV-UHFFFAOYSA-N -1 1 341.245 3.275 20 5 EGBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCCc2cc(OC(F)F)ccc21 ZINC000352007409 165190995 /nfs/dbraw/zinc/19/09/95/165190995.db2.gz XLPACSANYGCTMP-UHFFFAOYSA-N -1 1 337.282 3.117 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000359830932 167243390 /nfs/dbraw/zinc/24/33/90/167243390.db2.gz JIDYGVMVSGJBIE-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2ncsc2c1 ZINC000194156908 266095126 /nfs/dbraw/zinc/09/51/26/266095126.db2.gz USJDWYVRJPOKCK-UHFFFAOYSA-N -1 1 349.393 3.314 20 5 EGBDMM CC(C)(C)OCc1cc(C(=O)[N-]c2ccc([N+](=O)[O-])cc2F)no1 ZINC000274405176 267231484 /nfs/dbraw/zinc/23/14/84/267231484.db2.gz GUKCTKBYAABODR-UHFFFAOYSA-N -1 1 337.307 3.289 20 5 EGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000007405284 453071990 /nfs/dbraw/zinc/07/19/90/453071990.db2.gz BLJAVKYSWLOEDA-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)ccc1F ZINC000091054536 307462204 /nfs/dbraw/zinc/46/22/04/307462204.db2.gz ACNPXFHENWKWJO-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc(C)c1F ZINC000135682531 307705916 /nfs/dbraw/zinc/70/59/16/307705916.db2.gz SLHUNBGSHQEQDA-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)ccc([N+](=O)[O-])c1C ZINC000421231561 309317055 /nfs/dbraw/zinc/31/70/55/309317055.db2.gz JILNWYXJBIMTST-ZDUSSCGKSA-N -1 1 344.433 3.014 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C2CC2)c1 ZINC000452188368 310217681 /nfs/dbraw/zinc/21/76/81/310217681.db2.gz OWYLTWWDTVVQCA-SNVBAGLBSA-N -1 1 327.340 3.064 20 5 EGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491550819 311184396 /nfs/dbraw/zinc/18/43/96/311184396.db2.gz ZCJFTIDIPCDWHT-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1C ZINC000015243653 453562524 /nfs/dbraw/zinc/56/25/24/453562524.db2.gz LOOKTVRRSRKDOF-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000031555848 453849227 /nfs/dbraw/zinc/84/92/27/453849227.db2.gz JYLFWNIDTKOTHQ-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000131726601 454280208 /nfs/dbraw/zinc/28/02/08/454280208.db2.gz RJHSRTJOQWFCNR-OLZOCXBDSA-N -1 1 341.367 3.022 20 5 EGBDMM C[C@H]1CCc2c(sc3[n-]c(-c4ccc([N+](=O)[O-])o4)nc(=O)c23)C1 ZINC000140711253 454823757 /nfs/dbraw/zinc/82/37/57/454823757.db2.gz MZFPOGKHZCDSFQ-ZETCQYMHSA-N -1 1 331.353 3.278 20 5 EGBDMM O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccc([O-])c1Cl)CCO2 ZINC000353571076 456771367 /nfs/dbraw/zinc/77/13/67/456771367.db2.gz YIJSAJPFZXLIAU-UHFFFAOYSA-N -1 1 334.759 3.348 20 5 EGBDMM COc1ccc([N-]C(=O)c2ncsc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000338404207 456800502 /nfs/dbraw/zinc/80/05/02/456800502.db2.gz HOXQKUMEICTYBA-UHFFFAOYSA-N -1 1 347.274 3.331 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](n2ncc3ccccc32)C1 ZINC000339082458 456932353 /nfs/dbraw/zinc/93/23/53/456932353.db2.gz YFPBNKZDVLLADT-HNNXBMFYSA-N -1 1 338.367 3.097 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cc2cccc(F)c2o1 ZINC000356601121 457077802 /nfs/dbraw/zinc/07/78/02/457077802.db2.gz YVYGCEOMXGJXPI-QMMMGPOBSA-N -1 1 345.286 3.072 20 5 EGBDMM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000359911089 457143409 /nfs/dbraw/zinc/14/34/09/457143409.db2.gz PWUHSDNIGUGRFS-UHFFFAOYSA-N -1 1 345.689 3.473 20 5 EGBDMM CC(C)c1nc([C@H]2CCCCN2Cc2cc([O-])ccc2[N+](=O)[O-])n[nH]1 ZINC000331846830 457260634 /nfs/dbraw/zinc/26/06/34/457260634.db2.gz CIKZSCFGMPIFDN-OAHLLOKOSA-N -1 1 345.403 3.269 20 5 EGBDMM O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000342783599 457524981 /nfs/dbraw/zinc/52/49/81/457524981.db2.gz QKHRPDNVLPOBSB-UHFFFAOYSA-N -1 1 328.353 3.223 20 5 EGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000444959411 458000292 /nfs/dbraw/zinc/00/02/92/458000292.db2.gz QCQFOGLDSYDYCJ-OAHLLOKOSA-N -1 1 343.383 3.182 20 5 EGBDMM CCO[C@@H]1C[C@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000593744393 459970773 /nfs/dbraw/zinc/97/07/73/459970773.db2.gz RUWNONNSHNZIOQ-JKSUJKDBSA-N -1 1 348.399 3.073 20 5 EGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC(C)(C)CC(C)(C)C1 ZINC000598099069 460173283 /nfs/dbraw/zinc/17/32/83/460173283.db2.gz VFQGBCCPFALZIJ-UHFFFAOYSA-N -1 1 335.404 3.372 20 5 EGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000742304858 576767634 /nfs/dbraw/zinc/76/76/34/576767634.db2.gz ZJSLWMBXNQRPHM-JTQLQIEISA-N -1 1 346.836 3.495 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000744832212 576835356 /nfs/dbraw/zinc/83/53/56/576835356.db2.gz CDPSKIRIGRQYHB-UHFFFAOYSA-N -1 1 347.298 3.042 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826498792 607449237 /nfs/dbraw/zinc/44/92/37/607449237.db2.gz JXEHRZHNVIQLFZ-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000826498792 607449240 /nfs/dbraw/zinc/44/92/40/607449240.db2.gz JXEHRZHNVIQLFZ-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM CC(C)c1nc([C@H](C)Nc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833513067 605006311 /nfs/dbraw/zinc/00/63/11/605006311.db2.gz ZRTPSYISDPVLNC-BXKUYDPTSA-N -1 1 345.359 3.107 20 5 EGBDMM COCc1nc(C)c(C(=O)[N-]c2cc([N+](=O)[O-])c(F)cc2F)s1 ZINC000121365700 1293367458 /nfs/dbraw/zinc/36/74/58/1293367458.db2.gz ZDGYHMCXOJSRQX-UHFFFAOYSA-N -1 1 343.311 3.037 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc(F)cc2nccnc21 ZINC000193783552 1295911650 /nfs/dbraw/zinc/91/16/50/1295911650.db2.gz GEPWGBWYRDUWFP-UHFFFAOYSA-N -1 1 348.240 3.208 20 5 EGBDMM O=C(OCc1coc(-c2ccccc2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044530 1303036541 /nfs/dbraw/zinc/03/65/41/1303036541.db2.gz ASAIVQGARCWIJO-UHFFFAOYSA-N -1 1 340.291 3.312 20 5 EGBDMM CCCCC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809384259 1317809020 /nfs/dbraw/zinc/80/90/20/1317809020.db2.gz JIBUIOXONPLNBG-UHFFFAOYSA-N -1 1 341.216 3.370 20 5 EGBDMM CC(C)(C)n1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)nc2ccccc21 ZINC001115983568 1370815261 /nfs/dbraw/zinc/81/52/61/1370815261.db2.gz QHVMBJFUDCHKPV-UHFFFAOYSA-N -1 1 327.344 3.280 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccnn2Cc2ccccc2F)ccc1[O-] ZINC001210393475 1372341843 /nfs/dbraw/zinc/34/18/43/1372341843.db2.gz VXKSCISEFNPZKO-UHFFFAOYSA-N -1 1 328.303 3.428 20 5 EGBDMM CC(=O)c1cccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c1[O-] ZINC001211298948 1372524311 /nfs/dbraw/zinc/52/43/11/1372524311.db2.gz SNFFEDZWRPWYRV-UHFFFAOYSA-N -1 1 331.284 3.463 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(F)c(C(F)(F)F)c2)no1 ZINC001212893134 1372791370 /nfs/dbraw/zinc/79/13/70/1372791370.db2.gz NTQXOBYRKNFFCO-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM O=C(c1ccco1)C(Oc1cccc([O-])c1[N+](=O)[O-])c1ccco1 ZINC001225619804 1375133247 /nfs/dbraw/zinc/13/32/47/1375133247.db2.gz JAOVGZQUHKQQIK-MRXNPFEDSA-N -1 1 329.264 3.489 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ccc(C)cc1 ZINC001226310954 1375237456 /nfs/dbraw/zinc/23/74/56/1375237456.db2.gz SGJWSQPWEVUOKT-NSHDSACASA-N -1 1 346.339 3.321 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826293715 1423436591 /nfs/dbraw/zinc/43/65/91/1423436591.db2.gz ZDHDDCDLNHBVJQ-SNVBAGLBSA-N -1 1 343.318 3.362 20 5 EGBDMM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000822221128 1423539242 /nfs/dbraw/zinc/53/92/42/1423539242.db2.gz BLNGCOHDBOHVHY-UHFFFAOYSA-N -1 1 345.746 3.316 20 5 EGBDMM C[C@@H](Sc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1)c1cccs1 ZINC000736190960 1424288371 /nfs/dbraw/zinc/28/83/71/1424288371.db2.gz GEHBMLPVXLMYOI-SSDOTTSWSA-N -1 1 334.386 3.085 20 5 EGBDMM Cc1cc(C)cc(CCNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737253946 1424917640 /nfs/dbraw/zinc/91/76/40/1424917640.db2.gz VIJDRFFOURPCCR-UHFFFAOYSA-N -1 1 338.371 3.046 20 5 EGBDMM CSCc1cccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737187397 1425016162 /nfs/dbraw/zinc/01/61/62/1425016162.db2.gz RLSASEAQLKZRCJ-UHFFFAOYSA-N -1 1 342.384 3.382 20 5 EGBDMM O=[N+]([O-])c1cc(F)ccc1Oc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823635509 1427873147 /nfs/dbraw/zinc/87/31/47/1427873147.db2.gz YZRNOZWYZXQSFJ-UHFFFAOYSA-N -1 1 335.682 3.360 20 5 EGBDMM Cc1c(CSc2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822035395 1441435564 /nfs/dbraw/zinc/43/55/64/1441435564.db2.gz UPRPOZLLNLYNQS-UHFFFAOYSA-N -1 1 327.369 3.376 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000823639540 1442041086 /nfs/dbraw/zinc/04/10/86/1442041086.db2.gz CUYPPCIWRUNYPO-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2cc(Cl)ccc2-c2nnn[n-]2)c(F)c1 ZINC000823635014 1443401662 /nfs/dbraw/zinc/40/16/62/1443401662.db2.gz POXUVFNBRLGLGP-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CCS[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)C1 ZINC000821455872 1443495599 /nfs/dbraw/zinc/49/55/99/1443495599.db2.gz MJYBVAQCAMLTAJ-JQWIXIFHSA-N -1 1 348.432 3.251 20 5 EGBDMM C[C@H]1C[C@@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000337574166 291099332 /nfs/dbraw/zinc/09/93/32/291099332.db2.gz GGOSOGDSIQIDCH-FVMDXXJSSA-N -1 1 347.758 3.014 20 5 EGBDMM O=C(NC1CCC(c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186895081 144146141 /nfs/dbraw/zinc/14/61/41/144146141.db2.gz LSLAVJWZFYNBDC-UHFFFAOYSA-N -1 1 341.367 3.152 20 5 EGBDMM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1[C@H](C)CC[C@@H]1C ZINC000351764867 144303361 /nfs/dbraw/zinc/30/33/61/144303361.db2.gz ROVXSEYCPNXOBB-AEJSXWLSSA-N -1 1 341.795 3.154 20 5 EGBDMM CC(=O)c1cc(F)c([N-]C(=O)c2ccccc2[N+](=O)[O-])c(F)c1F ZINC000355853383 166327817 /nfs/dbraw/zinc/32/78/17/166327817.db2.gz FHMJUJCYTXJGJT-UHFFFAOYSA-N -1 1 338.241 3.467 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000071943057 275151658 /nfs/dbraw/zinc/15/16/58/275151658.db2.gz WURLDUGCDDIXEW-UHFFFAOYSA-N -1 1 331.353 3.185 20 5 EGBDMM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC12CCCCC2 ZINC000274300944 275247547 /nfs/dbraw/zinc/24/75/47/275247547.db2.gz QMNOZXJJGWZRFA-LBPRGKRZSA-N -1 1 333.388 3.128 20 5 EGBDMM O=C(N[C@H](CC1CCC1)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445142986 309936649 /nfs/dbraw/zinc/93/66/49/309936649.db2.gz WOQDWFCIKKAVIJ-OAHLLOKOSA-N -1 1 341.367 3.357 20 5 EGBDMM CC(C)(C)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445173776 309937131 /nfs/dbraw/zinc/93/71/31/309937131.db2.gz AHOSWKMBKXUDTM-UHFFFAOYSA-N -1 1 343.383 3.384 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000516786461 312342263 /nfs/dbraw/zinc/34/22/63/312342263.db2.gz FZZKQZQNWBMXNF-UHFFFAOYSA-N -1 1 344.820 3.417 20 5 EGBDMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518658315 312424928 /nfs/dbraw/zinc/42/49/28/312424928.db2.gz XDVRPDRTMKVCCG-ONGXEEELSA-N -1 1 332.809 3.105 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000549718052 315102069 /nfs/dbraw/zinc/10/20/69/315102069.db2.gz STESWVDKNOITHY-LJQANCHMSA-N -1 1 340.379 3.270 20 5 EGBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000570355415 317044142 /nfs/dbraw/zinc/04/41/42/317044142.db2.gz VJLBJALUCZJKPJ-SNVBAGLBSA-N -1 1 338.389 3.022 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000016094776 453594930 /nfs/dbraw/zinc/59/49/30/453594930.db2.gz QSZVUMIRTAIULU-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000091054445 454372544 /nfs/dbraw/zinc/37/25/44/454372544.db2.gz FQPOHUMKMCWBLN-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1[N+](=O)[O-] ZINC000135601196 454693481 /nfs/dbraw/zinc/69/34/81/454693481.db2.gz MTEYFXHGBOEVAO-NSHDSACASA-N -1 1 348.380 3.027 20 5 EGBDMM Cc1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1C ZINC000185716177 455604655 /nfs/dbraw/zinc/60/46/55/455604655.db2.gz WEMVLUQHWSUFFN-UHFFFAOYSA-N -1 1 341.367 3.117 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000216132277 456027809 /nfs/dbraw/zinc/02/78/09/456027809.db2.gz VYCJSIXXAFUXOW-UHFFFAOYSA-N -1 1 332.381 3.274 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H](n2ncc3ccccc32)C1 ZINC000339082459 456932053 /nfs/dbraw/zinc/93/20/53/456932053.db2.gz YFPBNKZDVLLADT-OAHLLOKOSA-N -1 1 338.367 3.097 20 5 EGBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCCN1C1CCCC1 ZINC000332019399 457290045 /nfs/dbraw/zinc/29/00/45/457290045.db2.gz FUUFSTSYYXHCHG-OAHLLOKOSA-N -1 1 333.388 3.036 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3cc([N+](=O)[O-])ccc3C)[nH][n-]2)s1 ZINC000357351773 457467729 /nfs/dbraw/zinc/46/77/29/457467729.db2.gz KQMZUQOFTITSTD-UHFFFAOYSA-N -1 1 342.380 3.337 20 5 EGBDMM Cc1ccc(F)c(-c2cc(=NC(=O)c3cccc([N+](=O)[O-])c3)[nH][n-]2)c1 ZINC000444787233 457977415 /nfs/dbraw/zinc/97/74/15/457977415.db2.gz QOCZJMJDZCNHKI-UHFFFAOYSA-N -1 1 340.314 3.107 20 5 EGBDMM O=[N+]([O-])c1ccccc1OCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445476300 458053773 /nfs/dbraw/zinc/05/37/73/458053773.db2.gz AXRIIHYDDIMHGK-UHFFFAOYSA-N -1 1 331.259 3.069 20 5 EGBDMM COc1ccccc1C(C)(C)c1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000445691324 458077725 /nfs/dbraw/zinc/07/77/25/458077725.db2.gz OYWSZBUDZCVCBE-UHFFFAOYSA-N -1 1 328.328 3.307 20 5 EGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459295760 458318536 /nfs/dbraw/zinc/31/85/36/458318536.db2.gz GWECISUIGWYKQW-UHFFFAOYSA-N -1 1 342.399 3.378 20 5 EGBDMM CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000442311813 459003703 /nfs/dbraw/zinc/00/37/03/459003703.db2.gz WFPAXMMFNOAKAR-UHFFFAOYSA-N -1 1 348.380 3.109 20 5 EGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N1CCc2cccc(C(=O)[O-])c2C1 ZINC000593754334 459975431 /nfs/dbraw/zinc/97/54/31/459975431.db2.gz WQZXYDBFHMDNJA-GFCCVEGCSA-N -1 1 326.352 3.412 20 5 EGBDMM CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000610136384 460069675 /nfs/dbraw/zinc/06/96/75/460069675.db2.gz LFBMKBRUGXQKII-WDEREUQCSA-N -1 1 346.836 3.495 20 5 EGBDMM Cc1cccc(C)c1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597882477 460093660 /nfs/dbraw/zinc/09/36/60/460093660.db2.gz BXPNVRNQMJXQDR-AWEZNQCLSA-N -1 1 341.367 3.290 20 5 EGBDMM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732519612 575274096 /nfs/dbraw/zinc/27/40/96/575274096.db2.gz RURNGJAIKBTYDX-SSDOTTSWSA-N -1 1 334.719 3.371 20 5 EGBDMM CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742326149 576768811 /nfs/dbraw/zinc/76/88/11/576768811.db2.gz MEUJDPDHMPYOMQ-NXEZZACHSA-N -1 1 334.825 3.351 20 5 EGBDMM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826053401 601657638 /nfs/dbraw/zinc/65/76/38/601657638.db2.gz IVQOGOXTJWGZJJ-ZBEGNZNMSA-N -1 1 332.331 3.286 20 5 EGBDMM O=C(Nc1cccc([O-])c1F)c1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000128256709 1293587303 /nfs/dbraw/zinc/58/73/03/1293587303.db2.gz ZHQIFNOFSHVIKO-UHFFFAOYSA-N -1 1 345.330 3.292 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc(F)cc2nccnc21 ZINC000193721851 1295903953 /nfs/dbraw/zinc/90/39/53/1295903953.db2.gz LZYIGAKOGZWETA-UHFFFAOYSA-N -1 1 330.250 3.069 20 5 EGBDMM CC(C)c1nsc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000874698536 1298042882 /nfs/dbraw/zinc/04/28/82/1298042882.db2.gz GWPALRAWCAJCOB-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM O=[N+]([O-])c1c([N-]c2cnn(-c3ccccc3F)c2)nc2ccccn21 ZINC000756144886 1300445186 /nfs/dbraw/zinc/44/51/86/1300445186.db2.gz CUBIVPPQLKJKFA-UHFFFAOYSA-N -1 1 338.302 3.311 20 5 EGBDMM CC(C)c1cccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000773021659 1303610078 /nfs/dbraw/zinc/61/00/78/1303610078.db2.gz SLUWTWHGDQQSMW-UHFFFAOYSA-N -1 1 340.426 3.258 20 5 EGBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000800951556 1310843442 /nfs/dbraw/zinc/84/34/42/1310843442.db2.gz KBXDHTQJWKMYLD-QMMMGPOBSA-N -1 1 346.817 3.349 20 5 EGBDMM CC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1[O-] ZINC000808188862 1317643155 /nfs/dbraw/zinc/64/31/55/1317643155.db2.gz FFQLEKZIVSMZPJ-UHFFFAOYSA-N -1 1 334.715 3.409 20 5 EGBDMM CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815039350 1318873427 /nfs/dbraw/zinc/87/34/27/1318873427.db2.gz VMHSCXVWFNHOKP-UHFFFAOYSA-N -1 1 336.772 3.022 20 5 EGBDMM CC(C)(C)OC(=O)Nc1cnc(Nc2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC001210393522 1372341639 /nfs/dbraw/zinc/34/16/39/1372341639.db2.gz DKYNMOIIIHAMIG-UHFFFAOYSA-N -1 1 347.331 3.181 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)ccc2C(F)(F)F)no1 ZINC001212893056 1372791196 /nfs/dbraw/zinc/79/11/96/1372791196.db2.gz KLBAMRLCUKBQIF-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c(Nc2ncc(Br)cc2[O-])c1F ZINC001215285663 1373194722 /nfs/dbraw/zinc/19/47/22/1373194722.db2.gz SJYOZSGYRKXGDI-UHFFFAOYSA-N -1 1 346.087 3.480 20 5 EGBDMM CC1(C)CC(=O)CC[C@H]1Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228860985 1375696562 /nfs/dbraw/zinc/69/65/62/1375696562.db2.gz ZEKWTOURBYFBGY-SNVBAGLBSA-N -1 1 348.277 3.241 20 5 EGBDMM Cc1nc(O[C@H](c2ccccc2)C(F)(F)F)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229376393 1375822493 /nfs/dbraw/zinc/82/24/93/1375822493.db2.gz UGKRDYPPINYMBC-SNVBAGLBSA-N -1 1 329.234 3.081 20 5 EGBDMM C[C@@H]1C[C@@H](Oc2cc3c(cc2O)c(=O)oc2cc([O-])ccc23)CCO1 ZINC001229806936 1375897080 /nfs/dbraw/zinc/89/70/80/1375897080.db2.gz XMWIHQZNLXUFDT-PWSUYJOCSA-N -1 1 342.347 3.304 20 5 EGBDMM O=C(c1c([O-])cccc1Cl)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319217382 1386009320 /nfs/dbraw/zinc/00/93/20/1386009320.db2.gz DKDISNBTRFPLDW-UHFFFAOYSA-N -1 1 332.743 3.152 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCCC[C@H]2c2ccco2)c(-c2nnn[n-]2)c1 ZINC000738370904 1426866164 /nfs/dbraw/zinc/86/61/64/1426866164.db2.gz SFCKJFHJXNQJIU-AWEZNQCLSA-N -1 1 340.343 3.100 20 5 EGBDMM Cc1cc(-c2nnn[n-]2)ccc1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822136739 1429474939 /nfs/dbraw/zinc/47/49/39/1429474939.db2.gz PTWVDZJRTKMLLJ-UHFFFAOYSA-N -1 1 345.746 3.316 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823640053 1424623194 /nfs/dbraw/zinc/62/31/94/1424623194.db2.gz QKMRHDRJDXXSAG-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cccc(CNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000738366896 1427814389 /nfs/dbraw/zinc/81/43/89/1427814389.db2.gz JWDFLYQLAVNAQL-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823648326 1441518173 /nfs/dbraw/zinc/51/81/73/1441518173.db2.gz UQOPFDACCMXJDQ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM CC(C)[C@@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820015205 1446477352 /nfs/dbraw/zinc/47/73/52/1446477352.db2.gz BIOHPXSFTWROBP-JTQLQIEISA-N -1 1 341.375 3.027 20 5 EGBDMM O=C([O-])[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001594843612 954106531 /nfs/dbraw/zinc/10/65/31/954106531.db2.gz MQDIQWZZCPYQNW-AWEZNQCLSA-N -1 1 338.722 3.303 20 5 EGBDMM CC(C)N(CCC(=O)[O-])Cc1cccc([N+](=O)[O-])c1Br ZINC000232635817 960288676 /nfs/dbraw/zinc/28/86/76/960288676.db2.gz DDMZRGRHEDLKSN-UHFFFAOYSA-N -1 1 345.193 3.042 20 5 EGBDMM Cc1ccc([C@H]2CCCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187565144 236248184 /nfs/dbraw/zinc/24/81/84/236248184.db2.gz IBYVKUZXBIJELE-CYBMUJFWSA-N -1 1 345.355 3.354 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000187069452 144151459 /nfs/dbraw/zinc/15/14/59/144151459.db2.gz KBXCHIPRVJMBET-CQSZACIVSA-N -1 1 341.367 3.105 20 5 EGBDMM Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000366013452 168071637 /nfs/dbraw/zinc/07/16/37/168071637.db2.gz XLQAFBCOHCBEPS-JSGCOSHPSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000195451082 266183528 /nfs/dbraw/zinc/18/35/28/266183528.db2.gz LHBRTFADVNFXBU-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cc1[N+](=O)[O-] ZINC000135925483 307707928 /nfs/dbraw/zinc/70/79/28/307707928.db2.gz QEXJJQPUZBLHHF-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)Cc2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000446765004 309967870 /nfs/dbraw/zinc/96/78/70/309967870.db2.gz MFLUTYQNMOYKDL-UHFFFAOYSA-N -1 1 340.788 3.499 20 5 EGBDMM COCc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000450987509 310153797 /nfs/dbraw/zinc/15/37/97/310153797.db2.gz WOHZVCWGLQWVFH-UHFFFAOYSA-N -1 1 342.417 3.063 20 5 EGBDMM O=C(c1ccc([O-])cc1F)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452867121 310246656 /nfs/dbraw/zinc/24/66/56/310246656.db2.gz YDJPVGUMSMVCPY-CYBMUJFWSA-N -1 1 344.342 3.459 20 5 EGBDMM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000512759333 312194548 /nfs/dbraw/zinc/19/45/48/312194548.db2.gz BNPSELSFCMXPPZ-JTQLQIEISA-N -1 1 334.825 3.351 20 5 EGBDMM C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000516784372 312342124 /nfs/dbraw/zinc/34/21/24/312342124.db2.gz WGOKKNSDGDUSSR-CKYFFXLPSA-N -1 1 346.836 3.351 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc(C)c1F ZINC000537652526 314200067 /nfs/dbraw/zinc/20/00/67/314200067.db2.gz RSMDMYNLMZAIDP-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000031555843 453849210 /nfs/dbraw/zinc/84/92/10/453849210.db2.gz BCBVXIVSGQQWEI-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000059612420 454260675 /nfs/dbraw/zinc/26/06/75/454260675.db2.gz DJCIOUFQWFMUEC-UHFFFAOYSA-N -1 1 332.381 3.274 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000170708221 454961796 /nfs/dbraw/zinc/96/17/96/454961796.db2.gz KTSDDIMFJMLGAR-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CSc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000179391237 455043845 /nfs/dbraw/zinc/04/38/45/455043845.db2.gz ZVTKZROIBFHCTA-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182163487 455450819 /nfs/dbraw/zinc/45/08/19/455450819.db2.gz BCINRSBRTOTNPZ-UHFFFAOYSA-N -1 1 348.265 3.367 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc1 ZINC000191783659 455519369 /nfs/dbraw/zinc/51/93/69/455519369.db2.gz BGMFPWBFPJFZEQ-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297276290 456169539 /nfs/dbraw/zinc/16/95/39/456169539.db2.gz QEOLWPHLWYXZRL-HUUCEWRRSA-N -1 1 341.367 3.104 20 5 EGBDMM O=C(Nc1ccc(Sc2nncs2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343570221 456713107 /nfs/dbraw/zinc/71/31/07/456713107.db2.gz BVSAXKLWLYSSSY-UHFFFAOYSA-N -1 1 347.381 3.178 20 5 EGBDMM O=C(NC1CC(c2ccc(Cl)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000361153500 457617853 /nfs/dbraw/zinc/61/78/53/457617853.db2.gz MNLSFKRQJKIZDF-UHFFFAOYSA-N -1 1 347.758 3.025 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c(F)cc1[N+](=O)[O-] ZINC000590597464 459157674 /nfs/dbraw/zinc/15/76/74/459157674.db2.gz CIRRVYZWBLCOFV-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM C[C@]1(C(=O)[O-])CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593746982 459972824 /nfs/dbraw/zinc/97/28/24/459972824.db2.gz ZUFLZQNUDWXDGZ-CYBMUJFWSA-N -1 1 332.278 3.053 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(C)c1[N+](=O)[O-] ZINC000598714204 460003702 /nfs/dbraw/zinc/00/37/02/460003702.db2.gz RBDVNKNGSLLZIH-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM CCCc1cc(=O)[n-]c(SCc2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000603722570 460336403 /nfs/dbraw/zinc/33/64/03/460336403.db2.gz FWEQCTFBABJZDR-UHFFFAOYSA-N -1 1 335.385 3.344 20 5 EGBDMM CC(C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cccs1 ZINC000735080973 575600091 /nfs/dbraw/zinc/60/00/91/575600091.db2.gz CCDHUNYTHSIWKG-UHFFFAOYSA-N -1 1 344.389 3.009 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000744530533 576830644 /nfs/dbraw/zinc/83/06/44/576830644.db2.gz WTUJSJGIJDXWQF-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM C[C@H](C(=O)[O-])[C@@H](NCc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000826055169 601655506 /nfs/dbraw/zinc/65/55/06/601655506.db2.gz WLYNANVYGFAUAB-MEDUHNTESA-N -1 1 332.331 3.286 20 5 EGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1[N+](=O)[O-] ZINC000078002364 1292492650 /nfs/dbraw/zinc/49/26/50/1292492650.db2.gz NRGBQGJVSUSCQG-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000768564975 1302935836 /nfs/dbraw/zinc/93/58/36/1302935836.db2.gz RFKRNYXIVHTLLR-JTQLQIEISA-N -1 1 332.809 3.105 20 5 EGBDMM CC(C)[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768796418 1302981978 /nfs/dbraw/zinc/98/19/78/1302981978.db2.gz IGPRTQMXLMEZPU-AWEZNQCLSA-N -1 1 340.426 3.332 20 5 EGBDMM O=C(OCc1coc(-c2cccs2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049772 1303035992 /nfs/dbraw/zinc/03/59/92/1303035992.db2.gz WMMBGCDVYGKSII-UHFFFAOYSA-N -1 1 346.320 3.374 20 5 EGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC000784216454 1305208492 /nfs/dbraw/zinc/20/84/92/1305208492.db2.gz QNNINNYXDWSCKL-SECBINFHSA-N -1 1 349.726 3.382 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000800052420 1310665109 /nfs/dbraw/zinc/66/51/09/1310665109.db2.gz WEBJSHFELLFUBJ-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CO[C@@H](C)c1nsc([N-]C(=O)c2cccc(Cl)c2[N+](=O)[O-])n1 ZINC000800989066 1310847985 /nfs/dbraw/zinc/84/79/85/1310847985.db2.gz WOWXWNPNVAEDDI-LURJTMIESA-N -1 1 342.764 3.059 20 5 EGBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CC=CCC2)cc1Cl ZINC000809811851 1317905039 /nfs/dbraw/zinc/90/50/39/1317905039.db2.gz SADHKLOTFARFKZ-VIFPVBQESA-N -1 1 348.783 3.022 20 5 EGBDMM C[C@H](c1ccccn1)N1CCC[C@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225626857 1375134793 /nfs/dbraw/zinc/13/47/93/1375134793.db2.gz WSVYVAKYRMAAMO-KGLIPLIRSA-N -1 1 343.383 3.300 20 5 EGBDMM COc1ccccc1[C@@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])C(F)(F)F ZINC001225664529 1375140500 /nfs/dbraw/zinc/14/05/00/1375140500.db2.gz QCPKWPMUURFPHN-GFCCVEGCSA-N -1 1 344.245 3.386 20 5 EGBDMM COc1ccccc1[C@@H](Oc1nccc([O-])c1[N+](=O)[O-])C(F)(F)F ZINC001225664529 1375140502 /nfs/dbraw/zinc/14/05/02/1375140502.db2.gz QCPKWPMUURFPHN-GFCCVEGCSA-N -1 1 344.245 3.386 20 5 EGBDMM CCCC[C@@H](CC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226309705 1375236889 /nfs/dbraw/zinc/23/68/89/1375236889.db2.gz IKOLKXRRIOGVHK-SNVBAGLBSA-N -1 1 326.349 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CC[C@H](CC)CC1 ZINC001226309287 1375236901 /nfs/dbraw/zinc/23/69/01/1375236901.db2.gz DYUDUVMICVKPPE-XYPYZODXSA-N -1 1 338.360 3.220 20 5 EGBDMM CC(=O)[C@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227702176 1375463192 /nfs/dbraw/zinc/46/31/92/1375463192.db2.gz NUGIHSHKPJKVJQ-LBPRGKRZSA-N -1 1 343.335 3.196 20 5 EGBDMM COc1ccc2cc([C@H](C)Oc3nc[n-]c(=O)c3[N+](=O)[O-])ccc2c1 ZINC001228140136 1375520202 /nfs/dbraw/zinc/52/02/02/1375520202.db2.gz GSTGHMJOJIBURM-JTQLQIEISA-N -1 1 341.323 3.392 20 5 EGBDMM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1c(F)cccc1F ZINC001228605442 1375614198 /nfs/dbraw/zinc/61/41/98/1375614198.db2.gz HEROVUCIIOQUPG-SSDOTTSWSA-N -1 1 337.282 3.386 20 5 EGBDMM CC1(C)C[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CCO1 ZINC001228858055 1375695601 /nfs/dbraw/zinc/69/56/01/1375695601.db2.gz BZJBAINDHARCJP-ZETCQYMHSA-N -1 1 336.266 3.051 20 5 EGBDMM CCCCOC[C@@H](C)OC[C@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395798 1375826573 /nfs/dbraw/zinc/82/65/73/1375826573.db2.gz MHMDFNRFOTYWEJ-OLZOCXBDSA-N -1 1 327.377 3.290 20 5 EGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229398532 1375828472 /nfs/dbraw/zinc/82/84/72/1375828472.db2.gz VBOZAECQJRKUMW-QMMMGPOBSA-N -1 1 348.267 3.077 20 5 EGBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3C[C@H]4C[C@H]4C3)c12 ZINC001234125837 1376771266 /nfs/dbraw/zinc/77/12/66/1376771266.db2.gz YRJLFUWEXHWCOZ-DOFRTFSJSA-N -1 1 340.331 3.240 20 5 EGBDMM O=[N+]([O-])c1ccc(NCCc2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000826498651 1425560966 /nfs/dbraw/zinc/56/09/66/1425560966.db2.gz DLZSJYFRPIYFBW-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM O=[N+]([O-])c1ccccc1CNc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823648600 1443201964 /nfs/dbraw/zinc/20/19/64/1443201964.db2.gz XZIYEZVCXUYVKC-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM CCS[C@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825668984 1443214533 /nfs/dbraw/zinc/21/45/33/1443214533.db2.gz NSFWQZRZDOHEDR-JSGCOSHPSA-N -1 1 348.432 3.251 20 5 EGBDMM C[C@@](CC(=O)[O-])(NCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC001592327801 977742463 /nfs/dbraw/zinc/74/24/63/977742463.db2.gz FDGCYRDKYDNSNY-INIZCTEOSA-N -1 1 349.774 3.123 20 5 EGBDMM CC[C@@](NCc1ccc([N+](=O)[O-])cc1OC)(C(=O)[O-])c1ccccc1 ZINC001595301378 980437664 /nfs/dbraw/zinc/43/76/64/980437664.db2.gz YHHPRFNJCPMFLK-SFHVURJKSA-N -1 1 344.367 3.083 20 5 EGBDMM NC(=O)c1cc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)ccc1[O-] ZINC000055050577 214267719 /nfs/dbraw/zinc/26/77/19/214267719.db2.gz MGKRDALHBMZVTO-UHFFFAOYSA-N -1 1 341.348 3.190 20 5 EGBDMM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193641069 240247963 /nfs/dbraw/zinc/24/79/63/240247963.db2.gz LAAHESIAPQRSCH-IINYFYTJSA-N -1 1 345.330 3.058 20 5 EGBDMM COc1c(C)ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C ZINC000193099905 153278293 /nfs/dbraw/zinc/27/82/93/153278293.db2.gz RYCZKZLSYAOFOC-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(CCCOCCc3ccccc3)no2)[n-]1 ZINC000273963569 267153292 /nfs/dbraw/zinc/15/32/92/267153292.db2.gz USPNJTQEWJLGBC-UHFFFAOYSA-N -1 1 342.355 3.165 20 5 EGBDMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185697471 302222439 /nfs/dbraw/zinc/22/24/39/302222439.db2.gz LVMMAILJKDJGKS-OCCSQVGLSA-N -1 1 341.367 3.022 20 5 EGBDMM CS(=O)(=O)c1cc([N+](=O)[O-])c([N-]c2cccc(Cl)c2)s1 ZINC000302190224 308732671 /nfs/dbraw/zinc/73/26/71/308732671.db2.gz QQNLSXCHMKQVOZ-UHFFFAOYSA-N -1 1 332.790 3.457 20 5 EGBDMM Cc1cc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000445140366 309936645 /nfs/dbraw/zinc/93/66/45/309936645.db2.gz SKDHNUFKAPVFGO-OAHLLOKOSA-N -1 1 345.330 3.024 20 5 EGBDMM O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000445477926 309942045 /nfs/dbraw/zinc/94/20/45/309942045.db2.gz CCUWLVAKOKBQJM-UHFFFAOYSA-N -1 1 344.302 3.144 20 5 EGBDMM CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462723449 310604703 /nfs/dbraw/zinc/60/47/03/310604703.db2.gz ZWKCHMXRIKOSEX-UWVGGRQHSA-N -1 1 334.825 3.351 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(CC(=O)[O-])CC1 ZINC000567619989 316644712 /nfs/dbraw/zinc/64/47/12/316644712.db2.gz LCWSOIDQYGCCQH-UHFFFAOYSA-N -1 1 336.388 3.069 20 5 EGBDMM CCc1nc(SCCOc2cccc([N+](=O)[O-])c2)[n-]c(=O)c1C ZINC000568414767 316773288 /nfs/dbraw/zinc/77/32/88/316773288.db2.gz UQCQOCJKGNROAP-UHFFFAOYSA-N -1 1 335.385 3.132 20 5 EGBDMM CSc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000007745949 453110934 /nfs/dbraw/zinc/11/09/34/453110934.db2.gz QCHRTMPLUKPRRI-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM CCCOc1cc([N-]C(=O)c2cocn2)c([N+](=O)[O-])cc1OCCC ZINC000105365637 454637418 /nfs/dbraw/zinc/63/74/18/454637418.db2.gz ZVXOWXSTERIYTE-UHFFFAOYSA-N -1 1 349.343 3.413 20 5 EGBDMM Cc1sc(C(=O)[N-]c2ncn(C3CCCCC3)n2)cc1[N+](=O)[O-] ZINC000184911557 455471740 /nfs/dbraw/zinc/47/17/40/455471740.db2.gz VRMUZRHQKZEYFL-UHFFFAOYSA-N -1 1 335.389 3.314 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1[N-]C(=O)c1c(F)c(F)cc(F)c1F ZINC000175609278 455470234 /nfs/dbraw/zinc/47/02/34/455470234.db2.gz KTRJYIKNAFRKGY-UHFFFAOYSA-N -1 1 344.220 3.412 20 5 EGBDMM CC[C@@H]1C[C@]1(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(C)c1 ZINC000337586237 456402939 /nfs/dbraw/zinc/40/29/39/456402939.db2.gz AGRWHUKFFNFMCW-FZKQIMNGSA-N -1 1 341.367 3.059 20 5 EGBDMM O=C(Nc1ccccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000340581501 456544468 /nfs/dbraw/zinc/54/44/68/456544468.db2.gz RTXLYGYYFANZHS-UHFFFAOYSA-N -1 1 329.234 3.116 20 5 EGBDMM O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340125018 457339455 /nfs/dbraw/zinc/33/94/55/457339455.db2.gz WMRNREPYGGHIFT-UHFFFAOYSA-N -1 1 337.339 3.238 20 5 EGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000444959409 458000935 /nfs/dbraw/zinc/00/09/35/458000935.db2.gz QCQFOGLDSYDYCJ-HNNXBMFYSA-N -1 1 343.383 3.182 20 5 EGBDMM O=[N+]([O-])c1ccc2[nH]nc(-c3nc(-c4ccc([O-])cc4F)no3)c2c1 ZINC000445461629 458052329 /nfs/dbraw/zinc/05/23/29/458052329.db2.gz YOTZOVMBHVEWSU-UHFFFAOYSA-N -1 1 341.258 3.033 20 5 EGBDMM Cc1cc(OCC(=O)Nc2ccc([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000435762043 458198794 /nfs/dbraw/zinc/19/87/94/458198794.db2.gz HLGQXYSFENKKIZ-UHFFFAOYSA-N -1 1 336.731 3.280 20 5 EGBDMM CC1(C)[C@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742230 459971255 /nfs/dbraw/zinc/97/12/55/459971255.db2.gz WSDKEJXVFDTEII-GFCCVEGCSA-N -1 1 346.305 3.456 20 5 EGBDMM Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1O ZINC000612997849 460797668 /nfs/dbraw/zinc/79/76/68/460797668.db2.gz METKQYCQSXZOTP-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM CCc1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccc1Cl ZINC000821476077 607160939 /nfs/dbraw/zinc/16/09/39/607160939.db2.gz GKBLPUVTNSVLEK-UHFFFAOYSA-N -1 1 346.734 3.178 20 5 EGBDMM CCc1cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccc1Cl ZINC000821476077 607160941 /nfs/dbraw/zinc/16/09/41/607160941.db2.gz GKBLPUVTNSVLEK-UHFFFAOYSA-N -1 1 346.734 3.178 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(C)c1 ZINC000154228226 1294046345 /nfs/dbraw/zinc/04/63/45/1294046345.db2.gz PDNSBVYGDIAKJY-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=C(OCc1nc(C(F)(F)F)cs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074499 1304635095 /nfs/dbraw/zinc/63/50/95/1304635095.db2.gz FEFUVKKBVHGLGB-UHFFFAOYSA-N -1 1 348.258 3.133 20 5 EGBDMM COc1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000780068629 1304635943 /nfs/dbraw/zinc/63/59/43/1304635943.db2.gz MACSBPPTVRWQTF-UHFFFAOYSA-N -1 1 337.715 3.319 20 5 EGBDMM O=C(Nc1nc(Cl)ccc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000789930465 1306234655 /nfs/dbraw/zinc/23/46/55/1306234655.db2.gz PRDNCMACCMFKFD-UHFFFAOYSA-N -1 1 348.746 3.175 20 5 EGBDMM CCc1nnc([N-]C(=O)c2cc(Cl)c(C)cc2[N+](=O)[O-])s1 ZINC000836450392 1320489488 /nfs/dbraw/zinc/48/94/88/1320489488.db2.gz LGTLYLLGRBPICM-UHFFFAOYSA-N -1 1 326.765 3.223 20 5 EGBDMM CC(C)CN(CC(=O)[O-])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000901590141 1317450615 /nfs/dbraw/zinc/45/06/15/1317450615.db2.gz KNICHVDPRODPBC-UHFFFAOYSA-N -1 1 332.356 3.397 20 5 EGBDMM CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C(=O)[O-])n1 ZINC000902514871 1317585256 /nfs/dbraw/zinc/58/52/56/1317585256.db2.gz LXVCSBXSXBUZBW-UHFFFAOYSA-N -1 1 329.356 3.099 20 5 EGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C(=O)[O-])n1 ZINC000902514871 1317585260 /nfs/dbraw/zinc/58/52/60/1317585260.db2.gz LXVCSBXSXBUZBW-UHFFFAOYSA-N -1 1 329.356 3.099 20 5 EGBDMM Cc1ccc([O-])c(C(=O)Nc2cc3nc4ccccc4nc3cc2N)n1 ZINC001195326322 1368421218 /nfs/dbraw/zinc/42/12/18/1368421218.db2.gz OJCJPAPHMYNWNE-UHFFFAOYSA-N -1 1 345.362 3.027 20 5 EGBDMM C[C@H](Oc1[n-]ccc(=O)c1[N+](=O)[O-])c1cc(-c2ccccc2)no1 ZINC001225665290 1375140554 /nfs/dbraw/zinc/14/05/54/1375140554.db2.gz XNHOZPCKHXWVFH-JTQLQIEISA-N -1 1 327.296 3.490 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)CC[C@H](C)CC ZINC001226309409 1375236267 /nfs/dbraw/zinc/23/62/67/1375236267.db2.gz GHVABQZUCAJPRL-GHMZBOCLSA-N -1 1 340.376 3.466 20 5 EGBDMM CCCC(CCC)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226308996 1375236323 /nfs/dbraw/zinc/23/63/23/1375236323.db2.gz BOMCOIJXWWMVCI-UHFFFAOYSA-N -1 1 326.349 3.220 20 5 EGBDMM O=C1CCC(Oc2cc3c(=O)c4c(O)cccc4oc3cc2[O-])CC1 ZINC001227306890 1375418083 /nfs/dbraw/zinc/41/80/83/1375418083.db2.gz OYSHNAAMSJCHCH-UHFFFAOYSA-N -1 1 340.331 3.248 20 5 EGBDMM O=[N+]([O-])c1c([O-])cc(C(F)(F)F)nc1O[C@H]1CCC(F)(F)C1 ZINC001228860305 1375697738 /nfs/dbraw/zinc/69/77/38/1375697738.db2.gz SSYOMLSEEGFHBF-YFKPBYRVSA-N -1 1 328.193 3.281 20 5 EGBDMM CCOC(=O)[C@H](Oc1cc([N+](=O)[O-])c(C)cc1[O-])c1ccccc1 ZINC001229749655 1375884651 /nfs/dbraw/zinc/88/46/51/1375884651.db2.gz GJZJIYGQEAGHPT-MRXNPFEDSA-N -1 1 331.324 3.292 20 5 EGBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(O[C@@H]3C=CCC3)c12 ZINC001234123609 1376770806 /nfs/dbraw/zinc/77/08/06/1376770806.db2.gz DRMITJBYCIZEIP-SNVBAGLBSA-N -1 1 326.304 3.160 20 5 EGBDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(/C=C/[N+](=O)[O-])cc2)c1 ZINC001175901965 1385432891 /nfs/dbraw/zinc/43/28/91/1385432891.db2.gz BESXKSYWVSTEGD-MDZDMXLPSA-N -1 1 348.380 3.177 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1CSc1cccc(-c2nnn[n-]2)c1 ZINC000823639686 1429040710 /nfs/dbraw/zinc/04/07/10/1429040710.db2.gz FSJGTMWJZUVGNZ-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM O=[N+]([O-])c1cccc(CNc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823648250 1429408333 /nfs/dbraw/zinc/40/83/33/1429408333.db2.gz SYVYWANNDJXURX-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC[C@]3(CC=CCC3)C2)c(-c2nnn[n-]2)c1 ZINC000738371884 1429863300 /nfs/dbraw/zinc/86/33/00/1429863300.db2.gz YODMJLKOCFLYTF-QGZVFWFLSA-N -1 1 340.387 3.102 20 5 EGBDMM CN(Cc1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000821609943 1443979191 /nfs/dbraw/zinc/97/91/91/1443979191.db2.gz SGRSUFPVSIGGJW-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N1CCCC[C@H]1c1ccco1 ZINC000738360537 1446280831 /nfs/dbraw/zinc/28/08/31/1446280831.db2.gz XVQMYOBNUGNDNP-ZDUSSCGKSA-N -1 1 340.343 3.100 20 5 EGBDMM Cc1cc(C)cc(CCNc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737253052 1447247049 /nfs/dbraw/zinc/24/70/49/1447247049.db2.gz OPYDNLQMZGSCPV-UHFFFAOYSA-N -1 1 338.371 3.046 20 5 EGBDMM C[C@@H](N[C@H](C)c1ccccc1OCC(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593205143 994209934 /nfs/dbraw/zinc/20/99/34/994209934.db2.gz XZNJOMRXWILGTK-CHWSQXEVSA-N -1 1 344.367 3.470 20 5 EGBDMM CC[C@H](C)N(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187546327 529694958 /nfs/dbraw/zinc/69/49/58/529694958.db2.gz NNKMJAYGICIFOU-LBPRGKRZSA-N -1 1 329.356 3.136 20 5 EGBDMM CCOc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000172181661 144016814 /nfs/dbraw/zinc/01/68/14/144016814.db2.gz ACEDMGATDCQZIO-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] ZINC000119681569 152221462 /nfs/dbraw/zinc/22/14/62/152221462.db2.gz YDGXLNFUMJAAIJ-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc3ncccc3c2)cccc1[N+](=O)[O-] ZINC000342460480 163885427 /nfs/dbraw/zinc/88/54/27/163885427.db2.gz GKNCXDQJTURUAL-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1[N+](=O)[O-] ZINC000195451176 266182932 /nfs/dbraw/zinc/18/29/32/266182932.db2.gz CFNKJDPJTUOROQ-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c(F)c1 ZINC000060436895 307350817 /nfs/dbraw/zinc/35/08/17/307350817.db2.gz YNVFDUJUAHMHOS-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=[N+]([O-])c1cccc(CCc2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000445469234 309941885 /nfs/dbraw/zinc/94/18/85/309941885.db2.gz HJAPSCZEOVRECB-UHFFFAOYSA-N -1 1 329.287 3.275 20 5 EGBDMM Cc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481975713 310924208 /nfs/dbraw/zinc/92/42/08/310924208.db2.gz XBNWRQJSLABITB-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCc1onc(C)c1[N-]C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000183206232 455250470 /nfs/dbraw/zinc/25/04/70/455250470.db2.gz AJMQXPAKKSBWDN-UHFFFAOYSA-N -1 1 341.270 3.307 20 5 EGBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2c(C)noc2CC)cc1OC ZINC000089392029 454142900 /nfs/dbraw/zinc/14/29/00/454142900.db2.gz BXUKYPCMBDSCJU-UHFFFAOYSA-N -1 1 349.343 3.113 20 5 EGBDMM COc1cc(C(=O)[N-]c2c(F)cccc2F)c([N+](=O)[O-])cc1OC ZINC000066280338 454676606 /nfs/dbraw/zinc/67/66/06/454676606.db2.gz LBYVDSYODGVOMA-UHFFFAOYSA-N -1 1 338.266 3.143 20 5 EGBDMM O=C([N-]c1cc(F)c(Br)cc1F)c1ccc([N+](=O)[O-])o1 ZINC000160900332 455511076 /nfs/dbraw/zinc/51/10/76/455511076.db2.gz BOUDCOLDGLKUTP-UHFFFAOYSA-N -1 1 347.071 3.481 20 5 EGBDMM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299517508 456717265 /nfs/dbraw/zinc/71/72/65/456717265.db2.gz DAOTXDSQOWAYIE-UHFFFAOYSA-N -1 1 325.328 3.319 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H](COc2ccccc2)C1 ZINC000339080969 456931252 /nfs/dbraw/zinc/93/12/52/456931252.db2.gz UFVGEOHBHCBGHU-AWEZNQCLSA-N -1 1 328.368 3.201 20 5 EGBDMM O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356725593 457137137 /nfs/dbraw/zinc/13/71/37/457137137.db2.gz JWLQZVUBMWVILV-UHFFFAOYSA-N -1 1 348.265 3.367 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000354238717 457149064 /nfs/dbraw/zinc/14/90/64/457149064.db2.gz NQFOMOMWDKLOKI-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC000342661148 457437610 /nfs/dbraw/zinc/43/76/10/457437610.db2.gz NQCLPROIBXERPP-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnc1N1CCCC[C@@H]1C ZINC000357443497 457531524 /nfs/dbraw/zinc/53/15/24/457531524.db2.gz NLTDWPHZPZDFHT-LBPRGKRZSA-N -1 1 343.387 3.257 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000443725022 457806453 /nfs/dbraw/zinc/80/64/53/457806453.db2.gz PDCWSMSZDKFTTR-UHFFFAOYSA-N -1 1 344.820 3.107 20 5 EGBDMM Cc1cccc(CN(CC(C)C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444999899 458004700 /nfs/dbraw/zinc/00/47/00/458004700.db2.gz XHDVJEQNSJJJOT-UHFFFAOYSA-N -1 1 343.383 3.302 20 5 EGBDMM COc1cccc2c(C(=O)Nc3cccc([N+](=O)[O-])c3C)n[nH]c21 ZINC000362376753 458133469 /nfs/dbraw/zinc/13/34/69/458133469.db2.gz UBRBSGOPPNDBKI-UHFFFAOYSA-N -1 1 326.312 3.040 20 5 EGBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1[O-] ZINC000436752093 458374385 /nfs/dbraw/zinc/37/43/85/458374385.db2.gz PLWVOPOEWUEKJK-UHFFFAOYSA-N -1 1 340.257 3.249 20 5 EGBDMM CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465487592 458827173 /nfs/dbraw/zinc/82/71/73/458827173.db2.gz DUNRPXSJGXGXSJ-GXSJLCMTSA-N -1 1 332.809 3.105 20 5 EGBDMM O=C([O-])C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000576473291 460150548 /nfs/dbraw/zinc/15/05/48/460150548.db2.gz SALGKZCZVITBOL-SNVBAGLBSA-N -1 1 332.278 3.053 20 5 EGBDMM CCCC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727837258 574693913 /nfs/dbraw/zinc/69/39/13/574693913.db2.gz UXSHTXXYRADPDC-AAEUAGOBSA-N -1 1 344.408 3.371 20 5 EGBDMM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000825668983 607842853 /nfs/dbraw/zinc/84/28/53/607842853.db2.gz NSFWQZRZDOHEDR-GXTWGEPZSA-N -1 1 348.432 3.251 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(F)c1 ZINC000078002379 1292492326 /nfs/dbraw/zinc/49/23/26/1292492326.db2.gz BYCPTSXBVJAUPC-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000112333671 1293125244 /nfs/dbraw/zinc/12/52/44/1293125244.db2.gz JYUNYKNULYTCOL-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1C1CC1 ZINC000871958979 1296632096 /nfs/dbraw/zinc/63/20/96/1296632096.db2.gz IWBFOSWBIVJVOO-GFCCVEGCSA-N -1 1 338.161 3.106 20 5 EGBDMM O=C(OCc1ccc(C(F)(F)F)cn1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000768780506 1302976565 /nfs/dbraw/zinc/97/65/65/1302976565.db2.gz VWXWVIPFSFFVMW-UHFFFAOYSA-N -1 1 342.229 3.071 20 5 EGBDMM Cc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1Cl ZINC000768889401 1303007699 /nfs/dbraw/zinc/00/76/99/1303007699.db2.gz AKKTUPRRAIOPPU-UHFFFAOYSA-N -1 1 346.817 3.097 20 5 EGBDMM Cc1cc([N-]C(=O)c2sc(Br)cc2[N+](=O)[O-])sn1 ZINC000770588641 1303289878 /nfs/dbraw/zinc/28/98/78/1303289878.db2.gz MJJHJLDRROVFKP-UHFFFAOYSA-N -1 1 348.203 3.436 20 5 EGBDMM CC(C)[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccccc1 ZINC000780076618 1304635768 /nfs/dbraw/zinc/63/57/68/1304635768.db2.gz SDUDQFUHVRACPF-KRWDZBQOSA-N -1 1 343.335 3.365 20 5 EGBDMM C[C@H](CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000789070623 1306081648 /nfs/dbraw/zinc/08/16/48/1306081648.db2.gz IZYJUSXPLFZWLV-CYBMUJFWSA-N -1 1 345.351 3.453 20 5 EGBDMM CC(C)(C)c1nnc2ccc(Nc3ccc([O-])c([N+](=O)[O-])c3)cn21 ZINC001210396223 1372340883 /nfs/dbraw/zinc/34/08/83/1372340883.db2.gz OCNZMNALDZUSRA-UHFFFAOYSA-N -1 1 327.344 3.384 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccnn2Cc2cccc(F)c2)ccc1[O-] ZINC001210394105 1372341331 /nfs/dbraw/zinc/34/13/31/1372341331.db2.gz OEGJAKTZTHZDFS-UHFFFAOYSA-N -1 1 328.303 3.428 20 5 EGBDMM O=c1cc[n-]c(O[C@H]2CC[C@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225664704 1375140745 /nfs/dbraw/zinc/14/07/45/1375140745.db2.gz RLUCVAOFFNGQEK-KBPBESRZSA-N -1 1 330.340 3.212 20 5 EGBDMM O=C(c1ccc([O-])cc1)c1ccc(O[C@@H](C[N+](=O)[O-])C2CC2)cc1 ZINC001225808725 1375159145 /nfs/dbraw/zinc/15/91/45/1375159145.db2.gz RDAAAZAYQHTJIA-KRWDZBQOSA-N -1 1 327.336 3.057 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1CCC=CCCC1 ZINC001226311320 1375237562 /nfs/dbraw/zinc/23/75/62/1375237562.db2.gz VUEYQUSKGJBKFF-NSHDSACASA-N -1 1 336.344 3.140 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ccncc1F ZINC001228859978 1375697110 /nfs/dbraw/zinc/69/71/10/1375697110.db2.gz PKVAECBUXGNHPB-LURJTMIESA-N -1 1 347.224 3.388 20 5 EGBDMM CC(C)C1(C(C)C)OC[C@@H](CCOc2cc([N+](=O)[O-])ccc2[O-])O1 ZINC001229396406 1375827332 /nfs/dbraw/zinc/82/73/32/1375827332.db2.gz SWZMSVHEIBQVFJ-CQSZACIVSA-N -1 1 339.388 3.493 20 5 EGBDMM CCOC(=O)C[C@@H](C)Oc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515809 1375850076 /nfs/dbraw/zinc/85/00/76/1375850076.db2.gz GWDBTCWIKLVCHQ-LLVKDONJSA-N -1 1 342.347 3.372 20 5 EGBDMM CC[C@@H](COc1cc2c3ccc([O-])cc3oc(=O)c2cc1O)OC ZINC001229806109 1375896297 /nfs/dbraw/zinc/89/62/97/1375896297.db2.gz SNIJGTWITCPCOG-NSHDSACASA-N -1 1 330.336 3.161 20 5 EGBDMM O=c1c2c(O)ccc(O)c2oc2cc([O-])cc(OC3CC=CC3)c12 ZINC001234124886 1376771299 /nfs/dbraw/zinc/77/12/99/1376771299.db2.gz MENNDZGERRCVHZ-UHFFFAOYSA-N -1 1 326.304 3.160 20 5 EGBDMM COc1nc(C)nc([N-][C@@H](c2ccccc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001170882798 1384404005 /nfs/dbraw/zinc/40/40/05/1384404005.db2.gz KZGVZCIFTLLZJI-NSHDSACASA-N -1 1 342.277 3.417 20 5 EGBDMM O=[N+]([O-])c1cccc(F)c1COc1ccc(-c2nnn[n-]2)cc1Cl ZINC000738367990 1428282579 /nfs/dbraw/zinc/28/25/79/1428282579.db2.gz ATAXLYNNHLZMLZ-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC3(CCCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000738368983 1426212236 /nfs/dbraw/zinc/21/22/36/1426212236.db2.gz HHGCCXBBTNDOLH-UHFFFAOYSA-N -1 1 342.403 3.326 20 5 EGBDMM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822221374 1442133774 /nfs/dbraw/zinc/13/37/74/1442133774.db2.gz MGZGJINRTCEXAA-UHFFFAOYSA-N -1 1 344.762 3.349 20 5 EGBDMM C[C@H](Sc1ccc([N+](=O)[O-])cn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820555457 1443250361 /nfs/dbraw/zinc/25/03/61/1443250361.db2.gz LJSCAQWNVWRATI-VIFPVBQESA-N -1 1 328.357 3.023 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000823639892 1443497268 /nfs/dbraw/zinc/49/72/68/1443497268.db2.gz LCQGESQIJBHHOT-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM C[C@]1(C(F)(F)F)CCN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC000872166078 980060610 /nfs/dbraw/zinc/06/06/10/980060610.db2.gz BZZGORIXNAQIOJ-ZDUSSCGKSA-N -1 1 332.278 3.067 20 5 EGBDMM C[C@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001593352735 994968934 /nfs/dbraw/zinc/96/89/34/994968934.db2.gz HGMLWPVJVDGUIV-STQMWFEESA-N -1 1 344.367 3.470 20 5 EGBDMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001594208608 998806757 /nfs/dbraw/zinc/80/67/57/998806757.db2.gz UXQAADYTPKDUSS-JGPRNRPPSA-N -1 1 326.780 3.322 20 5 EGBDMM Cc1c2ccccc2oc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302926718 154031906 /nfs/dbraw/zinc/03/19/06/154031906.db2.gz AVHXYPBWBVQQHV-JTQLQIEISA-N -1 1 341.323 3.241 20 5 EGBDMM O=C([N-]c1nnc(C(F)F)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000108999009 162090602 /nfs/dbraw/zinc/09/06/02/162090602.db2.gz GKINTVZIZOPVTC-UHFFFAOYSA-N -1 1 334.691 3.290 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cc1O ZINC000175023396 265086752 /nfs/dbraw/zinc/08/67/52/265086752.db2.gz SKBBAGIFTQPEDL-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cccnc3OC3CCCC3)no2)[n-]1 ZINC000273814354 267115597 /nfs/dbraw/zinc/11/55/97/267115597.db2.gz WEQIRGHMNHJPGA-UHFFFAOYSA-N -1 1 341.327 3.356 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000059291700 307350634 /nfs/dbraw/zinc/35/06/34/307350634.db2.gz UVSPBQCJKAMBRR-UHFFFAOYSA-N -1 1 340.788 3.499 20 5 EGBDMM CC(C)c1nc(/C=C\c2cc(O)ccc2[N+](=O)[O-])ncc1C(=O)[O-] ZINC000255330515 308047055 /nfs/dbraw/zinc/04/70/55/308047055.db2.gz LPKZFJFRDTVNTC-UTCJRWHESA-N -1 1 329.312 3.082 20 5 EGBDMM Cc1c([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1C1CCOCC1 ZINC000294972199 308277626 /nfs/dbraw/zinc/27/76/26/308277626.db2.gz OLUKAZAOHIGRTD-UHFFFAOYSA-N -1 1 347.331 3.103 20 5 EGBDMM COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000422033684 309352180 /nfs/dbraw/zinc/35/21/80/309352180.db2.gz HXWPNQYEGNIHQC-CYBMUJFWSA-N -1 1 343.383 3.407 20 5 EGBDMM O=C(Nc1cccc(-c2noc(C3CC3)n2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000446670121 309965848 /nfs/dbraw/zinc/96/58/48/309965848.db2.gz AGVCZHWQXSXRBJ-UHFFFAOYSA-N -1 1 339.311 3.103 20 5 EGBDMM O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000525729701 312745468 /nfs/dbraw/zinc/74/54/68/312745468.db2.gz CPLMPFSITNIQQH-UHFFFAOYSA-N -1 1 345.746 3.073 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000579901581 325172194 /nfs/dbraw/zinc/17/21/94/325172194.db2.gz XDMOCJUPAJDYPV-UHFFFAOYSA-N -1 1 346.408 3.447 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000580500611 325257053 /nfs/dbraw/zinc/25/70/53/325257053.db2.gz UWMGXMQXFSMCAZ-UHFFFAOYSA-N -1 1 343.311 3.329 20 5 EGBDMM COc1ccccc1C[C@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093102259 454683492 /nfs/dbraw/zinc/68/34/92/454683492.db2.gz OANCHZAOHFDFEM-ZDUSSCGKSA-N -1 1 330.384 3.372 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000170708441 454961748 /nfs/dbraw/zinc/96/17/48/454961748.db2.gz JJLUPQTZGZUIGJ-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=C([N-]c1nc(-c2cccs2)ns1)c1csc([N+](=O)[O-])c1 ZINC000182117687 455439192 /nfs/dbraw/zinc/43/91/92/455439192.db2.gz MGJHZZVARFDKAN-UHFFFAOYSA-N -1 1 338.395 3.489 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c1 ZINC000301107543 456797559 /nfs/dbraw/zinc/79/75/59/456797559.db2.gz JTJYPVPCNIRFTH-UHFFFAOYSA-N -1 1 325.284 3.432 20 5 EGBDMM CC(C)Oc1c(F)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000345021537 456900784 /nfs/dbraw/zinc/90/07/84/456900784.db2.gz YATGQCGRIDXBHN-UHFFFAOYSA-N -1 1 325.271 3.241 20 5 EGBDMM CC(C)(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000445025179 458007387 /nfs/dbraw/zinc/00/73/87/458007387.db2.gz ZSXJOKSECULJSU-CQSZACIVSA-N -1 1 347.346 3.352 20 5 EGBDMM O=C(Nc1cc(F)cc(Cl)c1O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436905206 458403096 /nfs/dbraw/zinc/40/30/96/458403096.db2.gz GPAZKDBRJKJIRH-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM C[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000567358914 459093185 /nfs/dbraw/zinc/09/31/85/459093185.db2.gz AKGUAZYYNGSRBO-CQSZACIVSA-N -1 1 346.305 3.300 20 5 EGBDMM C[C@@]1(C(=O)[O-])CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000567358914 459093189 /nfs/dbraw/zinc/09/31/89/459093189.db2.gz AKGUAZYYNGSRBO-CQSZACIVSA-N -1 1 346.305 3.300 20 5 EGBDMM O=c1cc(C(F)F)nc(SCc2ccc([N+](=O)[O-])cc2F)[n-]1 ZINC000584688910 459783585 /nfs/dbraw/zinc/78/35/85/459783585.db2.gz PGRPPNBIDUOVGJ-UHFFFAOYSA-N -1 1 331.275 3.459 20 5 EGBDMM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727837260 574693840 /nfs/dbraw/zinc/69/38/40/574693840.db2.gz UXSHTXXYRADPDC-DGCLKSJQSA-N -1 1 344.408 3.371 20 5 EGBDMM O=[N+]([O-])c1cnc(Oc2ccc3ccccc3c2)c(-c2nnn[n-]2)c1 ZINC000738374928 576319642 /nfs/dbraw/zinc/31/96/42/576319642.db2.gz SYQHBRLGMBQPIV-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM O=[N+]([O-])c1cnc(Oc2ccc3ccccc3c2)c(-c2nn[n-]n2)c1 ZINC000738374928 576319644 /nfs/dbraw/zinc/31/96/44/576319644.db2.gz SYQHBRLGMBQPIV-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829609448 1292591380 /nfs/dbraw/zinc/59/13/80/1292591380.db2.gz GVGVAFBWGDZCEA-UHFFFAOYSA-N -1 1 348.380 3.245 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)ccc1[N+](=O)[O-] ZINC000829741829 1292612211 /nfs/dbraw/zinc/61/22/11/1292612211.db2.gz CWTDWOMYBOVEGI-UHFFFAOYSA-N -1 1 348.380 3.245 20 5 EGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]n1 ZINC000120047122 1293300212 /nfs/dbraw/zinc/30/02/12/1293300212.db2.gz SMFJOFGAXUPTMQ-QMMMGPOBSA-N -1 1 344.418 3.084 20 5 EGBDMM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000132262426 1293713843 /nfs/dbraw/zinc/71/38/43/1293713843.db2.gz WHYJJZVSGRLCBJ-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1csc2ccccc21 ZINC000770446482 1303269463 /nfs/dbraw/zinc/26/94/63/1303269463.db2.gz SORQPVXDDPYPSW-VIFPVBQESA-N -1 1 343.364 3.401 20 5 EGBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1F ZINC000771211332 1303375296 /nfs/dbraw/zinc/37/52/96/1303375296.db2.gz NOCVVFQCLCUTPH-UHFFFAOYSA-N -1 1 349.249 3.208 20 5 EGBDMM O=C(OCc1cc(-c2cccs2)on1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780068004 1304635599 /nfs/dbraw/zinc/63/55/99/1304635599.db2.gz IZGWAKFFTBSSAU-UHFFFAOYSA-N -1 1 346.320 3.374 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC000800051338 1310663133 /nfs/dbraw/zinc/66/31/33/1310663133.db2.gz JSWBJVQDPCNKSV-UHFFFAOYSA-N -1 1 342.323 3.123 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cc(Br)ncc2F)ccc1[O-] ZINC001210395712 1372341669 /nfs/dbraw/zinc/34/16/69/1372341669.db2.gz CPPZFDRYPNCRFZ-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM COC(=O)c1ccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)c([O-])c1 ZINC001211295524 1372523147 /nfs/dbraw/zinc/52/31/47/1372523147.db2.gz NBOAGZHFLIKQLY-UHFFFAOYSA-N -1 1 347.283 3.047 20 5 EGBDMM CCOC(=O)c1cc(Nc2cc(F)cc(F)c2[O-])cc([N+](=O)[O-])c1 ZINC001211375586 1372544436 /nfs/dbraw/zinc/54/44/36/1372544436.db2.gz KBKUDAJUONQXGL-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1C[C@@H](C)C[C@H](C)C1 ZINC001226309821 1375237420 /nfs/dbraw/zinc/23/74/20/1375237420.db2.gz JXOMLHZCTWMFBG-UWVGGRQHSA-N -1 1 338.360 3.076 20 5 EGBDMM COC(=O)[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl ZINC001229395766 1375827287 /nfs/dbraw/zinc/82/72/87/1375827287.db2.gz LOFSDXQNZPVWGL-CQSZACIVSA-N -1 1 337.715 3.247 20 5 EGBDMM O=C(OCc1ccccc1)C1CC(Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229394596 1375827314 /nfs/dbraw/zinc/82/73/14/1375827314.db2.gz ACXIMZFZRYRBAG-UHFFFAOYSA-N -1 1 343.335 3.201 20 5 EGBDMM C[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001229398530 1375828456 /nfs/dbraw/zinc/82/84/56/1375828456.db2.gz VBOZAECQJRKUMW-MRVPVSSYSA-N -1 1 348.267 3.077 20 5 EGBDMM Cc1ccc(CSc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1C ZINC000822239696 1423724965 /nfs/dbraw/zinc/72/49/65/1423724965.db2.gz ADRALYRVRBNXOI-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1CSc1ccc(-c2nnn[n-]2)cc1F ZINC000738370036 1425086979 /nfs/dbraw/zinc/08/69/79/1425086979.db2.gz MXKVFKNKSNSIIO-UHFFFAOYSA-N -1 1 349.322 3.345 20 5 EGBDMM O=[N+]([O-])c1ccc(CSc2ccc(-c3nnn[n-]3)cc2F)c(F)c1 ZINC000823639763 1426116678 /nfs/dbraw/zinc/11/66/78/1426116678.db2.gz HGGVFVFHODXRLS-UHFFFAOYSA-N -1 1 349.322 3.345 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@H]2CCc3ccc(F)cc32)c(-c2nnn[n-]2)c1 ZINC000738371644 1427292433 /nfs/dbraw/zinc/29/24/33/1427292433.db2.gz VUNGTGKHOSPRRC-AWEZNQCLSA-N -1 1 340.318 3.013 20 5 EGBDMM CSCCCCCCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000826228581 1441689145 /nfs/dbraw/zinc/68/91/45/1441689145.db2.gz TXGMBYGWROCZQI-UHFFFAOYSA-N -1 1 336.421 3.110 20 5 EGBDMM C[C@H](CN(C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)c1ccccc1 ZINC000736000419 1442157981 /nfs/dbraw/zinc/15/79/81/1442157981.db2.gz HVBGPADRKSUGCB-GFCCVEGCSA-N -1 1 338.371 3.015 20 5 EGBDMM O=[N+]([O-])c1c(Oc2ccccc2-c2nn[n-]n2)ccc2ncccc21 ZINC000738357109 1443741071 /nfs/dbraw/zinc/74/10/71/1443741071.db2.gz BRCSTUQAGJKGES-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM CCN(Cc1ccc([N+](=O)[O-])cc1Br)C(C)(C)C(=O)[O-] ZINC000061174989 957577213 /nfs/dbraw/zinc/57/72/13/957577213.db2.gz IPFNMQIKGZRDFY-UHFFFAOYSA-N -1 1 345.193 3.042 20 5 EGBDMM C[C@](NCc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001603248724 972416759 /nfs/dbraw/zinc/41/67/59/972416759.db2.gz PFHWTCJANPNGBV-MRXNPFEDSA-N -1 1 334.759 3.338 20 5 EGBDMM COc1ccc([C@@H](C)NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001599508143 997247812 /nfs/dbraw/zinc/24/78/12/997247812.db2.gz CIYZNUUVSLUJMN-LLVKDONJSA-N -1 1 330.340 3.152 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000119608622 152215797 /nfs/dbraw/zinc/21/57/97/152215797.db2.gz PUWQMTMLXCCCEV-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000341592619 155372634 /nfs/dbraw/zinc/37/26/34/155372634.db2.gz GVHVAELDVAVCBR-LLVKDONJSA-N -1 1 344.371 3.012 20 5 EGBDMM O=C(Nc1ccc(OC(F)F)c2cccnc12)c1ccc([N+](=O)[O-])[n-]1 ZINC000355877296 166335627 /nfs/dbraw/zinc/33/56/27/166335627.db2.gz GPAWOISOKPKBAB-UHFFFAOYSA-N -1 1 348.265 3.325 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@@H]1c1ccccc1 ZINC000193654955 266051055 /nfs/dbraw/zinc/05/10/55/266051055.db2.gz FKSKWYLPUGYXEI-OAHLLOKOSA-N -1 1 341.367 3.453 20 5 EGBDMM C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274881265 267301361 /nfs/dbraw/zinc/30/13/61/267301361.db2.gz CUDZNNNGOMEPJB-JMSVASOKSA-N -1 1 341.367 3.102 20 5 EGBDMM CCN(Cc1ccccc1Cl)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000135382648 307701611 /nfs/dbraw/zinc/70/16/11/307701611.db2.gz YZNIBXTYMPUBLY-UHFFFAOYSA-N -1 1 335.747 3.011 20 5 EGBDMM CCOc1cc(CSc2nc(C)c(C)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000491963307 311203242 /nfs/dbraw/zinc/20/32/42/311203242.db2.gz XZDATXJESXALGY-UHFFFAOYSA-N -1 1 335.385 3.398 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1[N+](=O)[O-] ZINC000552808217 315233404 /nfs/dbraw/zinc/23/34/04/315233404.db2.gz PVRFFQOLDKBKKR-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM O=C(Nc1cc(Br)ccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000176436940 323330115 /nfs/dbraw/zinc/33/01/15/323330115.db2.gz QSUPERDHJMFRNS-UHFFFAOYSA-N -1 1 337.129 3.315 20 5 EGBDMM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000007417162 453073723 /nfs/dbraw/zinc/07/37/23/453073723.db2.gz PVWXQHJOWXLTBW-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CSc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 ZINC000031556006 453848961 /nfs/dbraw/zinc/84/89/61/453848961.db2.gz VIMRCECXLIXIKY-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000055975889 454030839 /nfs/dbraw/zinc/03/08/39/454030839.db2.gz ZMKNRSIOHCTVHR-UHFFFAOYSA-N -1 1 336.373 3.005 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCc1ccccc1)[C@@H]1CCOC1 ZINC000091902189 454487864 /nfs/dbraw/zinc/48/78/64/454487864.db2.gz PBQHJUZUTAJDLC-QGZVFWFLSA-N -1 1 342.395 3.134 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000092764761 454629080 /nfs/dbraw/zinc/62/90/80/454629080.db2.gz JJXBOWYUGPNFCQ-UHFFFAOYSA-N -1 1 330.315 3.244 20 5 EGBDMM COc1ccccc1C[C@@H](C)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093102260 454683319 /nfs/dbraw/zinc/68/33/19/454683319.db2.gz OANCHZAOHFDFEM-CYBMUJFWSA-N -1 1 330.384 3.372 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1C ZINC000135612122 454693861 /nfs/dbraw/zinc/69/38/61/454693861.db2.gz ARMMZLZISBWCQE-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ncccc1Cl ZINC000180202424 455147909 /nfs/dbraw/zinc/14/79/09/455147909.db2.gz LHIKANPBUCPIQZ-UHFFFAOYSA-N -1 1 341.776 3.006 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1C ZINC000160900128 455511131 /nfs/dbraw/zinc/51/11/31/455511131.db2.gz BWZQJHVKSUYGLT-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=C([O-])CC[C@@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261941232 455974985 /nfs/dbraw/zinc/97/49/85/455974985.db2.gz LKKOMQSGIZHFLL-NSHDSACASA-N -1 1 326.780 3.325 20 5 EGBDMM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000340609118 456569619 /nfs/dbraw/zinc/56/96/19/456569619.db2.gz YSDINZFQGAYNIO-UHFFFAOYSA-N -1 1 347.224 3.255 20 5 EGBDMM CCN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc(Br)c1 ZINC000340705239 456639352 /nfs/dbraw/zinc/63/93/52/456639352.db2.gz HRJHNCIQONTNTR-UHFFFAOYSA-N -1 1 338.161 3.352 20 5 EGBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])[C@@H]1OCCc2sccc21 ZINC000339215333 456996051 /nfs/dbraw/zinc/99/60/51/456996051.db2.gz UYZKPVHMBVWESD-HWPZZCPQSA-N -1 1 334.397 3.154 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000356694685 457122292 /nfs/dbraw/zinc/12/22/92/457122292.db2.gz YRYFXZSZCJJHBO-UHFFFAOYSA-N -1 1 343.364 3.252 20 5 EGBDMM O=C(Nc1cc(Br)ccc1F)c1ccc([N+](=O)[O-])[n-]1 ZINC000347208030 457289353 /nfs/dbraw/zinc/28/93/53/457289353.db2.gz SUWZSCQQQXVLMC-UHFFFAOYSA-N -1 1 328.097 3.077 20 5 EGBDMM C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000354577797 457289409 /nfs/dbraw/zinc/28/94/09/457289409.db2.gz KNXKWZZLVGXJSC-ZJUUUORDSA-N -1 1 332.809 3.105 20 5 EGBDMM C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCCCCC1 ZINC000357405667 457500561 /nfs/dbraw/zinc/50/05/61/457500561.db2.gz OUZZDPCINHNVOA-SNVBAGLBSA-N -1 1 341.795 3.157 20 5 EGBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(CCC(C)C)c2C)n1 ZINC000342775273 457516132 /nfs/dbraw/zinc/51/61/32/457516132.db2.gz DPFNSOQLSIQCMG-UHFFFAOYSA-N -1 1 347.375 3.071 20 5 EGBDMM CC(C)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000361864692 457916804 /nfs/dbraw/zinc/91/68/04/457916804.db2.gz CVKZELUAJVBEKP-CQSZACIVSA-N -1 1 329.356 3.213 20 5 EGBDMM Cc1ccc(C)c([C@@H](C)N(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444863721 457989615 /nfs/dbraw/zinc/98/96/15/457989615.db2.gz YZCKEJBDOPEOML-GFCCVEGCSA-N -1 1 329.356 3.145 20 5 EGBDMM CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444995498 458004675 /nfs/dbraw/zinc/00/46/75/458004675.db2.gz HXMFDBVEGPFXCG-ZDUSSCGKSA-N -1 1 349.774 3.100 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000358508432 458048568 /nfs/dbraw/zinc/04/85/68/458048568.db2.gz BPXGXFYPNKSZRX-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM COc1ccc2nc(SCc3cc([O-])ccc3[N+](=O)[O-])[nH]c2c1 ZINC000436474024 458309635 /nfs/dbraw/zinc/30/96/35/458309635.db2.gz MMKUIZBECFNIJV-UHFFFAOYSA-N -1 1 331.353 3.478 20 5 EGBDMM O=C([O-])[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569370493 459440852 /nfs/dbraw/zinc/44/08/52/459440852.db2.gz COYILSBISSTQOU-LBPRGKRZSA-N -1 1 332.278 3.053 20 5 EGBDMM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618339306 459970554 /nfs/dbraw/zinc/97/05/54/459970554.db2.gz WXHHFPFYHOOWLM-UHFFFAOYSA-N -1 1 343.383 3.265 20 5 EGBDMM CC(C)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000598759235 460022123 /nfs/dbraw/zinc/02/21/23/460022123.db2.gz CDRDBLXRTAYKGJ-UHFFFAOYSA-N -1 1 341.367 3.017 20 5 EGBDMM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000742026668 576743755 /nfs/dbraw/zinc/74/37/55/576743755.db2.gz VLAPVEXKTACYQP-UHFFFAOYSA-N -1 1 349.412 3.275 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000744471732 576829223 /nfs/dbraw/zinc/82/92/23/576829223.db2.gz FJMUAKCISXBNEE-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)cc([N+](=O)[O-])c1F ZINC000154231316 1294047250 /nfs/dbraw/zinc/04/72/50/1294047250.db2.gz AMBSWHFSYKSMIB-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000179624274 1294807836 /nfs/dbraw/zinc/80/78/36/1294807836.db2.gz OZLGLAFQZXJFKI-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM CC(C)c1nsc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000874697984 1298042603 /nfs/dbraw/zinc/04/26/03/1298042603.db2.gz MSOOTJBRUKAKDL-UHFFFAOYSA-N -1 1 326.765 3.475 20 5 EGBDMM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000768815123 1302985485 /nfs/dbraw/zinc/98/54/85/1302985485.db2.gz UPRFPGAVGMTFLS-QMMMGPOBSA-N -1 1 332.428 3.066 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]C(=O)c1coc(C2CCOCC2)n1 ZINC000800974492 1310846897 /nfs/dbraw/zinc/84/68/97/1310846897.db2.gz NBCPFQLHAHQEBC-UHFFFAOYSA-N -1 1 349.318 3.177 20 5 EGBDMM Nc1ccc2nc(C(F)(F)F)n(-c3cc([O-])cc([N+](=O)[O-])c3)c2c1 ZINC001201221767 1369498738 /nfs/dbraw/zinc/49/87/38/1369498738.db2.gz GVKGYLWRLDCMIM-UHFFFAOYSA-N -1 1 338.245 3.240 20 5 EGBDMM Cc1cccc([O-])c1C(=O)n1c2ccccc2cc2c(=O)c(N)ccc1-2 ZINC001188654952 1388355090 /nfs/dbraw/zinc/35/50/90/1388355090.db2.gz KLFNPUVQIZKLKV-UHFFFAOYSA-N -1 1 344.370 3.391 20 5 EGBDMM COCC(=O)c1ccc([O-])cc1O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001227171553 1375401808 /nfs/dbraw/zinc/40/18/08/1375401808.db2.gz FAEOQKOQAPMIDI-NSHDSACASA-N -1 1 331.324 3.270 20 5 EGBDMM CC1(C)C[C@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CCO1 ZINC001228858054 1375695419 /nfs/dbraw/zinc/69/54/19/1375695419.db2.gz BZJBAINDHARCJP-SSDOTTSWSA-N -1 1 336.266 3.051 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1ncccc1F ZINC001228859236 1375697572 /nfs/dbraw/zinc/69/75/72/1375697572.db2.gz JPZIRTLYWNWFBE-LURJTMIESA-N -1 1 347.224 3.388 20 5 EGBDMM CCCCOC[C@H](C)OC[C@@H](C)Oc1cc([N+](=O)[O-])ccc1[O-] ZINC001229395799 1375827361 /nfs/dbraw/zinc/82/73/61/1375827361.db2.gz MHMDFNRFOTYWEJ-QWHCGFSZSA-N -1 1 327.377 3.290 20 5 EGBDMM C[C@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1cc(Br)no1 ZINC001229399166 1375827660 /nfs/dbraw/zinc/82/76/60/1375827660.db2.gz GRMOWSFWWJBJPJ-LURJTMIESA-N -1 1 329.106 3.191 20 5 EGBDMM Cc1cc([O-])c(O[C@@H](C)c2cc(Br)no2)cc1[N+](=O)[O-] ZINC001229754932 1375887743 /nfs/dbraw/zinc/88/77/43/1375887743.db2.gz UTSRSPTXCITYRS-ZETCQYMHSA-N -1 1 343.133 3.499 20 5 EGBDMM O=C1CCCC[C@H]1Oc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229805609 1375896561 /nfs/dbraw/zinc/89/65/61/1375896561.db2.gz MPJFHFMFJBFMQK-MRXNPFEDSA-N -1 1 340.331 3.248 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000822270839 1429412897 /nfs/dbraw/zinc/41/28/97/1429412897.db2.gz ABMKKWQTNBBBRI-UHFFFAOYSA-N -1 1 342.334 3.143 20 5 EGBDMM O=[N+]([O-])c1ccc(N(Cc2cccs2)C2CC2)c(-c2nnn[n-]2)c1 ZINC000738370110 1425771038 /nfs/dbraw/zinc/77/10/38/1425771038.db2.gz NQPQMWHYUYEUFP-UHFFFAOYSA-N -1 1 342.384 3.005 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2ccc(F)c(Cl)c2)c(-c2nnn[n-]2)c1 ZINC000738368977 1426771601 /nfs/dbraw/zinc/77/16/01/1426771601.db2.gz HCBARVFOIDMTBS-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000826278862 1446434551 /nfs/dbraw/zinc/43/45/51/1446434551.db2.gz WGCDIVUMPOVCLO-UHFFFAOYSA-N -1 1 344.762 3.349 20 5 EGBDMM Cc1cccc([C@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(=O)[O-])c1 ZINC001594397656 958784207 /nfs/dbraw/zinc/78/42/07/958784207.db2.gz LKTKKTZNALPWNK-HNNXBMFYSA-N -1 1 334.759 3.472 20 5 EGBDMM O=C([O-])[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001605982835 973018201 /nfs/dbraw/zinc/01/82/01/973018201.db2.gz DTFLHRGTZHMKJC-GOEBONIOSA-N -1 1 330.315 3.137 20 5 EGBDMM Cc1cccc([C@@H](NCc2cc(Cl)ccc2[N+](=O)[O-])C(=O)[O-])c1 ZINC001605331002 973210230 /nfs/dbraw/zinc/21/02/30/973210230.db2.gz TXXIBFMFMGXZRZ-OAHLLOKOSA-N -1 1 334.759 3.472 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001591791297 975982073 /nfs/dbraw/zinc/98/20/73/975982073.db2.gz QDPSFCDLPIRITM-UHFFFAOYSA-N -1 1 348.399 3.354 20 5 EGBDMM C[C@H]1C[C@@H](c2cccnc2)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594272262 999052982 /nfs/dbraw/zinc/05/29/82/999052982.db2.gz ONCUYJWXVWQAJD-SJCJKPOMSA-N -1 1 341.367 3.271 20 5 EGBDMM Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000359116363 167071430 /nfs/dbraw/zinc/07/14/30/167071430.db2.gz FBAUYLUZSVVETA-UHFFFAOYSA-N -1 1 339.311 3.066 20 5 EGBDMM CC(C)OCCOCc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000299367806 308671621 /nfs/dbraw/zinc/67/16/21/308671621.db2.gz UXEPSRDTUGMEEE-UHFFFAOYSA-N -1 1 347.371 3.117 20 5 EGBDMM CC(C)(C)C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1(C)C ZINC000412821509 309004526 /nfs/dbraw/zinc/00/45/26/309004526.db2.gz KHJDHHSOBUUETP-LBPRGKRZSA-N -1 1 335.404 3.372 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000416286701 309167513 /nfs/dbraw/zinc/16/75/13/309167513.db2.gz BMLQNWDAVBWEKB-JTQLQIEISA-N -1 1 327.340 3.064 20 5 EGBDMM CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000465487595 310633367 /nfs/dbraw/zinc/63/33/67/310633367.db2.gz DUNRPXSJGXGXSJ-ONGXEEELSA-N -1 1 332.809 3.105 20 5 EGBDMM Cc1nc(SCc2c(F)cc([N+](=O)[O-])cc2F)[n-]c(=O)c1C ZINC000506431852 312049218 /nfs/dbraw/zinc/04/92/18/312049218.db2.gz HSGAGQLMFWQQID-UHFFFAOYSA-N -1 1 327.312 3.278 20 5 EGBDMM CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516344249 312320944 /nfs/dbraw/zinc/32/09/44/312320944.db2.gz INCGHOBYUANFKH-CMPLNLGQSA-N -1 1 346.836 3.495 20 5 EGBDMM C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000519967069 312489404 /nfs/dbraw/zinc/48/94/04/312489404.db2.gz SDWYFRPUUOUKOE-WDEREUQCSA-N -1 1 346.836 3.353 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000574802429 317637906 /nfs/dbraw/zinc/63/79/06/317637906.db2.gz DVXUPFCVXIXBRT-UHFFFAOYSA-N -1 1 342.323 3.236 20 5 EGBDMM O=C(Nc1cccc([O-])c1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000129412246 455110328 /nfs/dbraw/zinc/11/03/28/455110328.db2.gz HZPCUNWCLSVSOT-UHFFFAOYSA-N -1 1 345.330 3.292 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000158534259 455310718 /nfs/dbraw/zinc/31/07/18/455310718.db2.gz VRUVNEIVWFTRIE-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM CCCCn1ncc([N-]c2nccc(C(=O)OCC)c2[N+](=O)[O-])c1C ZINC000161128062 455536994 /nfs/dbraw/zinc/53/69/94/455536994.db2.gz FJDQROPJAHBVNT-UHFFFAOYSA-N -1 1 347.375 3.215 20 5 EGBDMM Cc1c(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)cccc1[N+](=O)[O-] ZINC000340239900 456332242 /nfs/dbraw/zinc/33/22/42/456332242.db2.gz LZMJBDIRWHJWBR-UHFFFAOYSA-N -1 1 328.353 3.029 20 5 EGBDMM CC[C@@](C)(O)CN(Cc1ccccc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339113721 456946668 /nfs/dbraw/zinc/94/66/68/456946668.db2.gz KTTURXGKBUWQQB-LJQANCHMSA-N -1 1 344.411 3.464 20 5 EGBDMM COc1cc2nc(-c3ccc(C)c([N+](=O)[O-])c3)[n-]c(=O)c2cc1OC ZINC000362829472 457112838 /nfs/dbraw/zinc/11/28/38/457112838.db2.gz XBIRDPPTKPRJMN-UHFFFAOYSA-N -1 1 341.323 3.236 20 5 EGBDMM CCOC(=O)c1ccnc([N-]c2cnn(CC(C)C)c2C)c1[N+](=O)[O-] ZINC000346697287 457117130 /nfs/dbraw/zinc/11/71/30/457117130.db2.gz BXCAMQZPJUCMJB-UHFFFAOYSA-N -1 1 347.375 3.071 20 5 EGBDMM COC(=O)c1ccc(C(C)C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000342525143 457349856 /nfs/dbraw/zinc/34/98/56/457349856.db2.gz WOSVFGPQFISBPZ-UHFFFAOYSA-N -1 1 331.328 3.085 20 5 EGBDMM CCC1(CC)CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000530388794 458759002 /nfs/dbraw/zinc/75/90/02/458759002.db2.gz YQAFSTCUDOLNQR-UHFFFAOYSA-N -1 1 341.433 3.017 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)c(F)c1 ZINC000590597461 459158493 /nfs/dbraw/zinc/15/84/93/459158493.db2.gz BZWAKESHOIMADT-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000609234049 459929097 /nfs/dbraw/zinc/92/90/97/459929097.db2.gz JGWIHQUPUPXLRT-NSHDSACASA-N -1 1 334.825 3.351 20 5 EGBDMM CC(C)N(CCC(=O)[O-])Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000736467667 575969140 /nfs/dbraw/zinc/96/91/40/575969140.db2.gz BTBUKMMORCCHSD-UHFFFAOYSA-N -1 1 339.373 3.015 20 5 EGBDMM CCc1ccc(Oc2cccc(F)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000736692520 576007389 /nfs/dbraw/zinc/00/73/89/576007389.db2.gz WKWFJKBMKMBTSD-UHFFFAOYSA-N -1 1 329.291 3.269 20 5 EGBDMM CCc1ccc(Oc2cccc(F)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000736692520 576007391 /nfs/dbraw/zinc/00/73/91/576007391.db2.gz WKWFJKBMKMBTSD-UHFFFAOYSA-N -1 1 329.291 3.269 20 5 EGBDMM CCC(CC)(CC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000742306887 576767650 /nfs/dbraw/zinc/76/76/50/576767650.db2.gz KNCXBDXDFGIAGF-UHFFFAOYSA-N -1 1 334.825 3.495 20 5 EGBDMM C[C@H]1CCc2[n-]n(-c3cc([N+](=O)[O-])ccc3Br)c(=O)c21 ZINC000871960198 1296631666 /nfs/dbraw/zinc/63/16/66/1296631666.db2.gz WBQHIDQAECEGOW-JVXZTZIISA-N -1 1 338.161 3.106 20 5 EGBDMM O=C(OCCCOCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000754846842 1300227534 /nfs/dbraw/zinc/22/75/34/1300227534.db2.gz VJQDMGZICWRMKV-UHFFFAOYSA-N -1 1 331.324 3.064 20 5 EGBDMM O=C(OCc1csc(-c2ccco2)n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769046054 1303036406 /nfs/dbraw/zinc/03/64/06/1303036406.db2.gz GDQSAMYNYWHPCB-UHFFFAOYSA-N -1 1 346.320 3.374 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc(F)c2F)c1Cl ZINC000788217976 1305898960 /nfs/dbraw/zinc/89/89/60/1305898960.db2.gz XFQASCKXMXQOEK-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cc2nccnc2cc1F ZINC000791486499 1309008566 /nfs/dbraw/zinc/00/85/66/1309008566.db2.gz JNTMRJMZIOYCGW-UHFFFAOYSA-N -1 1 348.240 3.208 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000798247239 1310326343 /nfs/dbraw/zinc/32/63/43/1310326343.db2.gz SAZDPSWOSOTHGO-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ncc(F)cc2Br)ccc1[O-] ZINC001210393002 1372341189 /nfs/dbraw/zinc/34/11/89/1372341189.db2.gz LKETUPMOXCWNCV-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)nc2Cl)ccc1[O-] ZINC001210393670 1372341358 /nfs/dbraw/zinc/34/13/58/1372341358.db2.gz XTESNUPKCKOQKV-UHFFFAOYSA-N -1 1 345.540 3.250 20 5 EGBDMM CN(c1ccc([O-])c([N+](=O)[O-])c1)c1ncc(C(F)(F)F)cc1N ZINC001210393793 1372341583 /nfs/dbraw/zinc/34/15/83/1372341583.db2.gz ZKWFXRMIRCJRQV-UHFFFAOYSA-N -1 1 328.250 3.064 20 5 EGBDMM CCOC(=O)c1cc(Nc2c(F)cc([O-])cc2F)cc([N+](=O)[O-])c1 ZINC001211376186 1372544090 /nfs/dbraw/zinc/54/40/90/1372544090.db2.gz VLKSKIGDBXTKRD-UHFFFAOYSA-N -1 1 338.266 3.499 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(F)cc2C(F)(F)F)no1 ZINC001212893350 1372791645 /nfs/dbraw/zinc/79/16/45/1372791645.db2.gz ZFGGDJOUPFXGIS-UHFFFAOYSA-N -1 1 343.196 3.193 20 5 EGBDMM CC(=O)c1ccc([O-])cc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001225618755 1375133318 /nfs/dbraw/zinc/13/33/18/1375133318.db2.gz IUJAAJWLEXLFFI-AWEZNQCLSA-N -1 1 342.351 3.161 20 5 EGBDMM O=c1cc[n-]c(O[C@H]2CC[C@@H](OCc3ccccc3)C2)c1[N+](=O)[O-] ZINC001225664706 1375140795 /nfs/dbraw/zinc/14/07/95/1375140795.db2.gz RLUCVAOFFNGQEK-KGLIPLIRSA-N -1 1 330.340 3.212 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC[C@H](C)[C@@H]1C ZINC001226310029 1375237101 /nfs/dbraw/zinc/23/71/01/1375237101.db2.gz LFJBMVPEASLUBO-JBLDHEPKSA-N -1 1 338.360 3.076 20 5 EGBDMM O=[N+]([O-])c1cccc(CNc2c(Cl)cccc2-c2nnn[n-]2)c1 ZINC000823648635 1428303945 /nfs/dbraw/zinc/30/39/45/1428303945.db2.gz ZVQBCDUVATUWGS-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1c(Oc2ccc(-c3nn[n-]n3)cc2)ccc2ncccc21 ZINC000738357619 1429397187 /nfs/dbraw/zinc/39/71/87/1429397187.db2.gz GPOAQHVOBHFFGU-UHFFFAOYSA-N -1 1 334.295 3.115 20 5 EGBDMM CCS[C@@H]1CCCC[C@@H]1Nc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821457710 1425879812 /nfs/dbraw/zinc/87/98/12/1425879812.db2.gz ZRZWNZZTHSGVLZ-GXTWGEPZSA-N -1 1 348.432 3.251 20 5 EGBDMM C[C@@H]1Cc2ccccc2[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000736296519 1426612589 /nfs/dbraw/zinc/61/25/89/1426612589.db2.gz IRSNPHVBJLCQLU-QLJPJBMISA-N -1 1 336.355 3.120 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1COc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823640095 1429934355 /nfs/dbraw/zinc/93/43/55/1429934355.db2.gz SCQMCPHISGYUCS-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM C[C@@H](Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000820555319 1441841684 /nfs/dbraw/zinc/84/16/84/1441841684.db2.gz JDMOZOQSPOTEKZ-MRVPVSSYSA-N -1 1 346.347 3.162 20 5 EGBDMM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc([N+](=O)[O-])cc1 ZINC000825351763 1442268061 /nfs/dbraw/zinc/26/80/61/1442268061.db2.gz ISGYFNUGFZIXHM-UHFFFAOYSA-N -1 1 349.354 3.202 20 5 EGBDMM C[C@H](CNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-])Cc1cccs1 ZINC000820274267 1443872912 /nfs/dbraw/zinc/87/29/12/1443872912.db2.gz GBIAYXPJJZVCCF-JTQLQIEISA-N -1 1 344.400 3.127 20 5 EGBDMM O=[N+]([O-])c1ccc(SCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000738366730 1446417989 /nfs/dbraw/zinc/41/79/89/1446417989.db2.gz IYGVXKFQTLLHFK-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM C[C@@](CC(=O)[O-])(NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccncc1 ZINC001592328533 977747045 /nfs/dbraw/zinc/74/70/45/977747045.db2.gz LIMMOSPAKWONBZ-INIZCTEOSA-N -1 1 349.774 3.123 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)cc1C ZINC000093930763 162034398 /nfs/dbraw/zinc/03/43/98/162034398.db2.gz YRNKNNNOIBIYRH-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1[N+](=O)[O-] ZINC000359839650 167246036 /nfs/dbraw/zinc/24/60/36/167246036.db2.gz YEQXGWLIUGPQBX-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1c(F)cc(F)cc1F ZINC000072506765 307379664 /nfs/dbraw/zinc/37/96/64/307379664.db2.gz WOHZONAKLXLNPP-UHFFFAOYSA-N -1 1 326.230 3.273 20 5 EGBDMM Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000436171081 309748737 /nfs/dbraw/zinc/74/87/37/309748737.db2.gz CENBOUBFYUBTLI-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525687417 312741417 /nfs/dbraw/zinc/74/14/17/312741417.db2.gz BUOUQFMDJWIDOY-LBPRGKRZSA-N -1 1 341.433 3.017 20 5 EGBDMM O=C(Nc1c([O-])cccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000564720499 316194085 /nfs/dbraw/zinc/19/40/85/316194085.db2.gz SWZMBPMFSOJUEB-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000006897782 453006969 /nfs/dbraw/zinc/00/69/69/453006969.db2.gz MEPDLGAPNCLTHW-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C3CC3)s2)c1 ZINC000021293134 453674852 /nfs/dbraw/zinc/67/48/52/453674852.db2.gz WVNVDGPWOURMDJ-UHFFFAOYSA-N -1 1 336.398 3.298 20 5 EGBDMM CSc1nsc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000078713816 454305158 /nfs/dbraw/zinc/30/51/58/454305158.db2.gz VPJUQSUYFFGEEM-UHFFFAOYSA-N -1 1 330.778 3.074 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2c(C)cccc2F)cc1C ZINC000160810717 455501272 /nfs/dbraw/zinc/50/12/72/455501272.db2.gz NHJBNESKAVBEBC-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c(F)c1 ZINC000189228966 456260004 /nfs/dbraw/zinc/26/00/04/456260004.db2.gz VXSLWGWNHOMCPR-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=C(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299158992 456623521 /nfs/dbraw/zinc/62/35/21/456623521.db2.gz XWKDTYXWMGMSRR-LBPRGKRZSA-N -1 1 345.355 3.123 20 5 EGBDMM CCOC(=O)c1cc([N-]C(=O)c2ccc([N+](=O)[O-])o2)c(F)cc1C ZINC000341747566 456925881 /nfs/dbraw/zinc/92/58/81/456925881.db2.gz DOQLRHBMWPWWKF-UHFFFAOYSA-N -1 1 336.275 3.064 20 5 EGBDMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361911569 457949812 /nfs/dbraw/zinc/94/98/12/457949812.db2.gz LCLFQAIYEGMRNM-GFCCVEGCSA-N -1 1 345.355 3.040 20 5 EGBDMM CCC[C@H](CCc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445001500 458004371 /nfs/dbraw/zinc/00/43/71/458004371.db2.gz URZHHXSUIPVGPG-OAHLLOKOSA-N -1 1 343.383 3.227 20 5 EGBDMM CC(C)n1nc(-c2ccco2)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000447858973 458357137 /nfs/dbraw/zinc/35/71/37/458357137.db2.gz QFMYHEYHQACSFK-UHFFFAOYSA-N -1 1 329.316 3.213 20 5 EGBDMM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518658314 458883583 /nfs/dbraw/zinc/88/35/83/458883583.db2.gz XDVRPDRTMKVCCG-MWLCHTKSSA-N -1 1 332.809 3.105 20 5 EGBDMM C[C@H](c1ccccc1[N+](=O)[O-])N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000573690441 459720473 /nfs/dbraw/zinc/72/04/73/459720473.db2.gz XRXNFSZURWDSOX-CYBMUJFWSA-N -1 1 344.367 3.251 20 5 EGBDMM CCO[C@H]1C[C@@H](N(C)Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C12CCC2 ZINC000593744390 459971387 /nfs/dbraw/zinc/97/13/87/459971387.db2.gz RUWNONNSHNZIOQ-CVEARBPZSA-N -1 1 348.399 3.073 20 5 EGBDMM CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000610136381 460069632 /nfs/dbraw/zinc/06/96/32/460069632.db2.gz LFBMKBRUGXQKII-GHMZBOCLSA-N -1 1 346.836 3.495 20 5 EGBDMM Cc1nc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)oc1C ZINC000604339031 460409490 /nfs/dbraw/zinc/40/94/90/460409490.db2.gz PHUKLPSZASHRBW-UHFFFAOYSA-N -1 1 326.312 3.447 20 5 EGBDMM C[C@@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734003746 575421401 /nfs/dbraw/zinc/42/14/01/575421401.db2.gz SYIAPVGUHSRMPL-VXGBXAGGSA-N -1 1 344.408 3.229 20 5 EGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824655313 607447803 /nfs/dbraw/zinc/44/78/03/607447803.db2.gz CBCHSBSYCOEOBF-QMMMGPOBSA-N -1 1 346.297 3.226 20 5 EGBDMM C[C@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824655313 607447804 /nfs/dbraw/zinc/44/78/04/607447804.db2.gz CBCHSBSYCOEOBF-QMMMGPOBSA-N -1 1 346.297 3.226 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000826498616 607449338 /nfs/dbraw/zinc/44/93/38/607449338.db2.gz CRCOGSVQJPMGOK-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000826498616 607449340 /nfs/dbraw/zinc/44/93/40/607449340.db2.gz CRCOGSVQJPMGOK-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000832481363 601652832 /nfs/dbraw/zinc/65/28/32/601652832.db2.gz CPEOXHYMLLDJON-SJKOYZFVSA-N -1 1 344.367 3.155 20 5 EGBDMM Cc1cc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc(C)c1Cl ZINC000822211656 606698098 /nfs/dbraw/zinc/69/80/98/606698098.db2.gz JLZCRZIZNCRJCI-UHFFFAOYSA-N -1 1 346.734 3.232 20 5 EGBDMM Cc1cc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc(C)c1Cl ZINC000822211656 606698100 /nfs/dbraw/zinc/69/81/00/606698100.db2.gz JLZCRZIZNCRJCI-UHFFFAOYSA-N -1 1 346.734 3.232 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F ZINC000007405665 1291073382 /nfs/dbraw/zinc/07/33/82/1291073382.db2.gz IEMLJZJYTBRURA-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000022841922 1291226424 /nfs/dbraw/zinc/22/64/24/1291226424.db2.gz BFFWPZXMEFUPCH-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1Cl ZINC000174052644 1294478432 /nfs/dbraw/zinc/47/84/32/1294478432.db2.gz YIMLJAGLLDTXFU-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000725820389 1298368819 /nfs/dbraw/zinc/36/88/19/1298368819.db2.gz NPAPALAYDYWXFY-UHFFFAOYSA-N -1 1 340.788 3.035 20 5 EGBDMM Cc1ccccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725817675 1298369648 /nfs/dbraw/zinc/36/96/48/1298369648.db2.gz KPTQQMYSKQCACH-UHFFFAOYSA-N -1 1 340.788 3.035 20 5 EGBDMM CCOC(=O)Nc1ccc(OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000772904820 1303593386 /nfs/dbraw/zinc/59/33/86/1303593386.db2.gz WCVOVBVWWDOFQA-UHFFFAOYSA-N -1 1 346.295 3.088 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780070593 1304635215 /nfs/dbraw/zinc/63/52/15/1304635215.db2.gz ZSFUGGSIIZXSSM-SNVBAGLBSA-N -1 1 346.295 3.435 20 5 EGBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cc2ccccc2o1 ZINC000780074073 1304635956 /nfs/dbraw/zinc/63/59/56/1304635956.db2.gz GGALWRJWTOSMND-UHFFFAOYSA-N -1 1 341.275 3.086 20 5 EGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1cccc(Cl)c1 ZINC000784216455 1305208917 /nfs/dbraw/zinc/20/89/17/1305208917.db2.gz QNNINNYXDWSCKL-VIFPVBQESA-N -1 1 349.726 3.382 20 5 EGBDMM O=c1cc(C(F)F)nc(SCc2ccc([N+](=O)[O-])c(F)c2)[n-]1 ZINC000809987302 1317930822 /nfs/dbraw/zinc/93/08/22/1317930822.db2.gz VDZSNYCFONEAFD-UHFFFAOYSA-N -1 1 331.275 3.459 20 5 EGBDMM CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814998675 1318864339 /nfs/dbraw/zinc/86/43/39/1318864339.db2.gz SVXKUDZDPPRSSE-SFYZADRCSA-N -1 1 338.788 3.100 20 5 EGBDMM COc1ccnc(C(=O)Nc2cc3cccnc3c3ncccc23)c1[O-] ZINC001193531972 1368055106 /nfs/dbraw/zinc/05/51/06/1368055106.db2.gz ORSKCUZPMJMCGW-UHFFFAOYSA-N -1 1 346.346 3.145 20 5 EGBDMM COc1ccccc1-c1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)n(C)n1 ZINC001210393145 1372341121 /nfs/dbraw/zinc/34/11/21/1372341121.db2.gz POYYZPFLZODDAQ-UHFFFAOYSA-N -1 1 340.339 3.453 20 5 EGBDMM O=C(c1ccco1)C(Oc1cccc([O-])c1[N+](=O)[O-])c1ccco1 ZINC001225619803 1375133504 /nfs/dbraw/zinc/13/35/04/1375133504.db2.gz JAOVGZQUHKQQIK-INIZCTEOSA-N -1 1 329.264 3.489 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1cccc(C)c1 ZINC001226309288 1375236574 /nfs/dbraw/zinc/23/65/74/1375236574.db2.gz FACAMEBWFHICFQ-NSHDSACASA-N -1 1 346.339 3.321 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](CC)C(C)(C)C ZINC001226309998 1375237198 /nfs/dbraw/zinc/23/71/98/1375237198.db2.gz LBFBEZRCHLUYRI-SNVBAGLBSA-N -1 1 326.349 3.076 20 5 EGBDMM COC1=CC[C@@H](Oc2nc(C(F)(F)F)cc([O-])c2[N+](=O)[O-])CC1 ZINC001228860011 1375696718 /nfs/dbraw/zinc/69/67/18/1375696718.db2.gz QOECHTJUQZQVIR-MRVPVSSYSA-N -1 1 334.250 3.176 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@H]3CCOC[C@H]3F)ccc12 ZINC001229514659 1375850115 /nfs/dbraw/zinc/85/01/15/1375850115.db2.gz LIXISMPIPPUFQU-CABCVRRESA-N -1 1 330.311 3.158 20 5 EGBDMM CC(C)[C@H](C)Oc1cc([O-])cc2oc3c(O)ccc(O)c3c(=O)c12 ZINC001234124832 1376771400 /nfs/dbraw/zinc/77/14/00/1376771400.db2.gz LNULLJCKXKTAIU-VIFPVBQESA-N -1 1 330.336 3.486 20 5 EGBDMM COC(=O)[C@H]([N-]c1ccc(C(C)(C)C)cc1[N+](=O)[O-])C(F)(F)F ZINC001171014388 1384430228 /nfs/dbraw/zinc/43/02/28/1384430228.db2.gz FDAOYTJLUDETAI-NSHDSACASA-N -1 1 334.294 3.408 20 5 EGBDMM CCC(CC)[C@@H](CCNc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1)OC ZINC000825096741 1428432795 /nfs/dbraw/zinc/43/27/95/1428432795.db2.gz QEZLDYGJLQUFAO-OAHLLOKOSA-N -1 1 348.407 3.028 20 5 EGBDMM C[C@H](Nc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1[N+](=O)[O-] ZINC000824649947 1425508700 /nfs/dbraw/zinc/50/87/00/1425508700.db2.gz ONIDZDXMLYWRHE-VIFPVBQESA-N -1 1 328.307 3.087 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826498242 1426992008 /nfs/dbraw/zinc/99/20/08/1426992008.db2.gz MPKHTHBCEQRLKT-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000823634044 1429919856 /nfs/dbraw/zinc/91/98/56/1429919856.db2.gz AHUHAKFWRVNFPM-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NCc1cccc(-c2nnn[n-]2)c1F ZINC000826293180 1443634789 /nfs/dbraw/zinc/63/47/89/1443634789.db2.gz DWDHYNPCOWVFKU-UHFFFAOYSA-N -1 1 342.334 3.143 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000738367988 1446163615 /nfs/dbraw/zinc/16/36/15/1446163615.db2.gz YCMFKZBKTBZSMM-UHFFFAOYSA-N -1 1 335.682 3.360 20 5 EGBDMM O=[N+]([O-])c1ccc(Oc2ccccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000738367354 1446888282 /nfs/dbraw/zinc/88/82/82/1446888282.db2.gz RKXKIMRWKRECBX-UHFFFAOYSA-N -1 1 349.253 3.169 20 5 EGBDMM CCS[C@H]1CCC[C@@H](Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000821453683 1446973195 /nfs/dbraw/zinc/97/31/95/1446973195.db2.gz BHTLFKQECFNUPM-NEPJUHHUSA-N -1 1 348.432 3.251 20 5 EGBDMM CC(C)c1ncc(CNc2ccc(C=CC(=O)[O-])cc2[N+](=O)[O-])[nH]1 ZINC001592020388 976712466 /nfs/dbraw/zinc/71/24/66/976712466.db2.gz XJPYNGXTSFNJLJ-XQRVVYSFSA-N -1 1 330.344 3.151 20 5 EGBDMM CN(CCc1ccccc1[N+](=O)[O-])Cc1cc(C(=O)[O-])ccc1F ZINC001598501693 992442687 /nfs/dbraw/zinc/44/26/87/992442687.db2.gz ANEONNULSSOARH-UHFFFAOYSA-N -1 1 332.331 3.107 20 5 EGBDMM C[C@@H]1CC(C(=O)[O-])C[C@@H](C)N1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001594207532 998799978 /nfs/dbraw/zinc/79/99/78/998799978.db2.gz FIRZCGHQAYZDJQ-NXEZZACHSA-N -1 1 326.780 3.322 20 5 EGBDMM O=C(Nc1cnn(-c2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000355932439 166351425 /nfs/dbraw/zinc/35/14/25/166351425.db2.gz MACIVMCIFKABCW-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EGBDMM Cc1ccccc1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000171619974 227178484 /nfs/dbraw/zinc/17/84/84/227178484.db2.gz ZYXUHAPBXLXMKU-UHFFFAOYSA-N -1 1 341.367 3.024 20 5 EGBDMM CCSc1ccc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193548166 266042735 /nfs/dbraw/zinc/04/27/35/266042735.db2.gz ABGRSILTFCJICW-JTQLQIEISA-N -1 1 347.396 3.298 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc(C(C)(C)C)ns2)c1F ZINC000284542703 275808453 /nfs/dbraw/zinc/80/84/53/275808453.db2.gz DPAFFTAGEDFEJI-UHFFFAOYSA-N -1 1 338.364 3.444 20 5 EGBDMM CC(C)(NCc1nc(=O)c2sccc2[n-]1)c1ccccc1[N+](=O)[O-] ZINC000298337512 308604899 /nfs/dbraw/zinc/60/48/99/308604899.db2.gz LVVHHWPVEPILHU-UHFFFAOYSA-N -1 1 344.396 3.330 20 5 EGBDMM CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000298952339 308650984 /nfs/dbraw/zinc/65/09/84/308650984.db2.gz IFSARQCTNCCFPV-UHFFFAOYSA-N -1 1 344.371 3.094 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000436592931 309763678 /nfs/dbraw/zinc/76/36/78/309763678.db2.gz ZMNIEVSCHXMOOH-MRXNPFEDSA-N -1 1 348.355 3.327 20 5 EGBDMM Cc1cscc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000487394706 311021926 /nfs/dbraw/zinc/02/19/26/311021926.db2.gz DFYXEMAFYAHKBD-UHFFFAOYSA-N -1 1 346.817 3.097 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000007053294 453023188 /nfs/dbraw/zinc/02/31/88/453023188.db2.gz IRHRCUSGUSGDHM-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM CSc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(C(F)F)s2)c1 ZINC000144548081 454849702 /nfs/dbraw/zinc/84/97/02/454849702.db2.gz VSOSSZHTGZBTDD-UHFFFAOYSA-N -1 1 346.340 3.358 20 5 EGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000339124036 456951102 /nfs/dbraw/zinc/95/11/02/456951102.db2.gz RLGYKNWVAJERMR-UHFFFAOYSA-N -1 1 330.325 3.004 20 5 EGBDMM CC[C@H](C)Oc1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccn1 ZINC000357335521 457454841 /nfs/dbraw/zinc/45/48/41/457454841.db2.gz QUWUVWFBIPRRLR-VIFPVBQESA-N -1 1 329.316 3.212 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3ccccc3[N+](=O)[O-])[nH][n-]2)s1 ZINC000357349196 457466498 /nfs/dbraw/zinc/46/64/98/457466498.db2.gz IKZXSTDJNMRAGG-UHFFFAOYSA-N -1 1 328.353 3.029 20 5 EGBDMM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000356396392 457605271 /nfs/dbraw/zinc/60/52/71/457605271.db2.gz UOIQZQQRSNWZMT-UHFFFAOYSA-N -1 1 347.224 3.255 20 5 EGBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1C ZINC000361283290 457678510 /nfs/dbraw/zinc/67/85/10/457678510.db2.gz YDSFTINGEBSHCH-UHFFFAOYSA-N -1 1 339.355 3.232 20 5 EGBDMM COc1cc(CSc2nc(C)c(C)c(=O)[n-]2)c([N+](=O)[O-])cc1F ZINC000463438947 458700716 /nfs/dbraw/zinc/70/07/16/458700716.db2.gz XHKZZAUVZBDHRN-UHFFFAOYSA-N -1 1 339.348 3.147 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@@H]21 ZINC000594734234 459145470 /nfs/dbraw/zinc/14/54/70/459145470.db2.gz UDBCFMYWLCQYKC-PMPSAXMXSA-N -1 1 348.399 3.069 20 5 EGBDMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000500100307 459665068 /nfs/dbraw/zinc/66/50/68/459665068.db2.gz RZLGHORRFPDJFV-CKYFFXLPSA-N -1 1 346.836 3.351 20 5 EGBDMM CC(C)CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000610264455 460099919 /nfs/dbraw/zinc/09/99/19/460099919.db2.gz XUQSVAKGNMOMNQ-CYBMUJFWSA-N -1 1 343.449 3.119 20 5 EGBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000619466194 460363889 /nfs/dbraw/zinc/36/38/89/460363889.db2.gz FTBBBOGZAQKYAB-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cccc(C)c2[N+](=O)[O-])c1 ZINC000744455017 576828850 /nfs/dbraw/zinc/82/88/50/576828850.db2.gz QRDQQYPRXVKHFI-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM O=[N+]([O-])c1cc(N2CCC[C@@H]2c2cccs2)ccc1-c1nn[n-]n1 ZINC000823634809 606645208 /nfs/dbraw/zinc/64/52/08/606645208.db2.gz MKFHNWWLUDFQAB-GFCCVEGCSA-N -1 1 342.384 3.178 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1COc1cccc(F)c1-c1nnn[n-]1 ZINC000826498459 607864218 /nfs/dbraw/zinc/86/42/18/607864218.db2.gz VSKYJCLHMOQQGP-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1COc1cccc(F)c1-c1nn[n-]n1 ZINC000826498459 607864219 /nfs/dbraw/zinc/86/42/19/607864219.db2.gz VSKYJCLHMOQQGP-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000055558199 1291785028 /nfs/dbraw/zinc/78/50/28/1291785028.db2.gz DAJZHLJSTJTMMD-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cs1 ZINC000120090748 1293303914 /nfs/dbraw/zinc/30/39/14/1293303914.db2.gz MHUSDMYFAAOPMF-UHFFFAOYSA-N -1 1 336.753 3.250 20 5 EGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000134057289 1293761178 /nfs/dbraw/zinc/76/11/78/1293761178.db2.gz DQSYHEZXLKLMPG-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM O=C(OCc1ncccc1C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000758522647 1300903335 /nfs/dbraw/zinc/90/33/35/1300903335.db2.gz RCFLYBHYLCCHIN-UHFFFAOYSA-N -1 1 342.229 3.071 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(C2CCCCC2)CC1 ZINC000917336385 1319791491 /nfs/dbraw/zinc/79/14/91/1319791491.db2.gz BWIXLIAAPMKJTG-UHFFFAOYSA-N -1 1 333.388 3.128 20 5 EGBDMM COc1ccnc(Br)c1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210396431 1372342410 /nfs/dbraw/zinc/34/24/10/1372342410.db2.gz RLTVKECCSDLKQX-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM CCOC(=O)c1nc(Cl)sc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210394596 1372341487 /nfs/dbraw/zinc/34/14/87/1372341487.db2.gz CFLPIILQLPVPNJ-UHFFFAOYSA-N -1 1 343.748 3.331 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(F)c(Cl)cc2Cl)no1 ZINC001212893086 1372791072 /nfs/dbraw/zinc/79/10/72/1372791072.db2.gz LTUINIFVKZJYQC-UHFFFAOYSA-N -1 1 344.089 3.481 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)CC[C@H](C)CC ZINC001226309412 1375236715 /nfs/dbraw/zinc/23/67/15/1375236715.db2.gz GHVABQZUCAJPRL-MNOVXSKESA-N -1 1 340.376 3.466 20 5 EGBDMM C[C@H]1COCC[C@@H]1Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227311243 1375419189 /nfs/dbraw/zinc/41/91/89/1375419189.db2.gz ZDDRCAKBLXOLSB-HZMBPMFUSA-N -1 1 342.347 3.161 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CCOC[C@H]3F)ccc12 ZINC001229514667 1375849671 /nfs/dbraw/zinc/84/96/71/1375849671.db2.gz LIXISMPIPPUFQU-HUUCEWRRSA-N -1 1 330.311 3.158 20 5 EGBDMM Cc1cc([O-])c(O[C@H](C(=O)OC(C)(C)C)C(C)C)cc1[N+](=O)[O-] ZINC001229755774 1375887529 /nfs/dbraw/zinc/88/75/29/1375887529.db2.gz ZZMBPMMHPGWQKC-AWEZNQCLSA-N -1 1 325.361 3.354 20 5 EGBDMM CCO[C@@H](C)COc1cc2c3ccc([O-])cc3oc(=O)c2cc1O ZINC001229807014 1375896484 /nfs/dbraw/zinc/89/64/84/1375896484.db2.gz YNZUVTBKGHNYJE-JTQLQIEISA-N -1 1 330.336 3.161 20 5 EGBDMM O=[N+]([O-])c1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)c(F)c1 ZINC000823639527 1423609676 /nfs/dbraw/zinc/60/96/76/1423609676.db2.gz CFVNLSFSAFWWHD-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1SCCCc1ccccc1 ZINC000738359685 1425104147 /nfs/dbraw/zinc/10/41/47/1425104147.db2.gz LWDHFZRYGZPEMT-UHFFFAOYSA-N -1 1 341.396 3.500 20 5 EGBDMM O=[N+]([O-])c1cc(Cl)ccc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000738361162 1426743619 /nfs/dbraw/zinc/74/36/19/1426743619.db2.gz VNWDUNQNYFDFBX-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM Cc1ccc(CC[C@@H](C)Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])o1 ZINC000822236381 1442029934 /nfs/dbraw/zinc/02/99/34/1442029934.db2.gz WTDJOOKHCKXANF-SNVBAGLBSA-N -1 1 342.359 3.110 20 5 EGBDMM O=C([O-])[C@@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2F)c2ccccc21 ZINC001605982842 973018715 /nfs/dbraw/zinc/01/87/15/973018715.db2.gz DTFLHRGTZHMKJC-ZBFHGGJFSA-N -1 1 330.315 3.137 20 5 EGBDMM C[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001593298512 994715141 /nfs/dbraw/zinc/71/51/41/994715141.db2.gz KGKGONPOIBABFK-NSHDSACASA-N -1 1 348.330 3.048 20 5 EGBDMM O=C(N[C@H](c1ccc(F)cc1)C1CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188416795 153015660 /nfs/dbraw/zinc/01/56/60/153015660.db2.gz UPUWVEIEVHULTB-HNNXBMFYSA-N -1 1 345.330 3.106 20 5 EGBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cccc(Cl)c1 ZINC000302969814 154031775 /nfs/dbraw/zinc/03/17/75/154031775.db2.gz IEOAYGPVQAGRPR-UHFFFAOYSA-N -1 1 349.774 3.056 20 5 EGBDMM CC(C)c1nc(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)n[nH]1 ZINC000344280310 164145600 /nfs/dbraw/zinc/14/56/00/164145600.db2.gz PCECEVJMAKOSHS-UHFFFAOYSA-N -1 1 340.343 3.084 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2Cl)cc1 ZINC000243782165 266256835 /nfs/dbraw/zinc/25/68/35/266256835.db2.gz QFXGNSPKRGBZFX-UHFFFAOYSA-N -1 1 326.761 3.190 20 5 EGBDMM O=C([N-]c1ncn(C2CCCCC2)n1)c1ccc(F)cc1[N+](=O)[O-] ZINC000273253170 267006426 /nfs/dbraw/zinc/00/64/26/267006426.db2.gz ZLKAWZUNTSATBG-UHFFFAOYSA-N -1 1 333.323 3.083 20 5 EGBDMM O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000452393282 310225490 /nfs/dbraw/zinc/22/54/90/310225490.db2.gz BATRZNYEBSYILO-UKRRQHHQSA-N -1 1 341.367 3.009 20 5 EGBDMM CCc1cc(=O)[n-]c(SCc2c(F)cc([N+](=O)[O-])cc2F)n1 ZINC000506438484 312049092 /nfs/dbraw/zinc/04/90/92/312049092.db2.gz JCMNWHSWVVUPTN-UHFFFAOYSA-N -1 1 327.312 3.223 20 5 EGBDMM COc1ccc(CC(=O)Nc2ccc([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000542817710 314584171 /nfs/dbraw/zinc/58/41/71/314584171.db2.gz NNHGMAQDQQXOKN-UHFFFAOYSA-N -1 1 336.731 3.144 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCCO)[C@H]1CCc2ccccc21 ZINC000093388823 454711519 /nfs/dbraw/zinc/71/15/19/454711519.db2.gz OFVQPZWONFKRCJ-IBGZPJMESA-N -1 1 342.395 3.172 20 5 EGBDMM O=C(Nc1cccc(OCc2cscn2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000337590808 456405211 /nfs/dbraw/zinc/40/52/11/456405211.db2.gz HJAYGCCFXGWFJA-UHFFFAOYSA-N -1 1 344.352 3.211 20 5 EGBDMM COc1cccc2[nH]cc(Cc3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)c21 ZINC000356983457 457257403 /nfs/dbraw/zinc/25/74/03/457257403.db2.gz LQLCSGZQBBNDRH-UHFFFAOYSA-N -1 1 339.311 3.054 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)CCCC2 ZINC000361861714 457916025 /nfs/dbraw/zinc/91/60/25/457916025.db2.gz GDBDRLAYJBZYBG-LLVKDONJSA-N -1 1 341.367 3.065 20 5 EGBDMM Cc1cc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)ccc1F ZINC000445140365 458019120 /nfs/dbraw/zinc/01/91/20/458019120.db2.gz SKDHNUFKAPVFGO-HNNXBMFYSA-N -1 1 345.330 3.024 20 5 EGBDMM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1 ZINC000542933111 459611469 /nfs/dbraw/zinc/61/14/69/459611469.db2.gz JILTVFHKVIRBFK-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM O=C([O-])c1ccccc1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000584177970 459674117 /nfs/dbraw/zinc/67/41/17/459674117.db2.gz VQDQRZWBTZQGPU-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(F)F)CCCC2)cc1C ZINC000588906039 460000834 /nfs/dbraw/zinc/00/08/34/460000834.db2.gz FEARNSAPZWFZMB-UHFFFAOYSA-N -1 1 348.371 3.068 20 5 EGBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000610086688 460060665 /nfs/dbraw/zinc/06/06/65/460060665.db2.gz LXFVFLMCJWRENH-URLYPYJESA-N -1 1 346.836 3.351 20 5 EGBDMM C[C@@H]1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000610086689 460060980 /nfs/dbraw/zinc/06/09/80/460060980.db2.gz LXFVFLMCJWRENH-UWVGGRQHSA-N -1 1 346.836 3.351 20 5 EGBDMM C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000576406618 460135638 /nfs/dbraw/zinc/13/56/38/460135638.db2.gz QICVYLQLRBDNHE-CYBMUJFWSA-N -1 1 344.367 3.251 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1ccccc1Cl ZINC000186981545 534767994 /nfs/dbraw/zinc/76/79/94/534767994.db2.gz MPBMNHLQFLCGOG-CYBMUJFWSA-N -1 1 347.758 3.326 20 5 EGBDMM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728298583 574736647 /nfs/dbraw/zinc/73/66/47/574736647.db2.gz WVTLNQNCZMOTJR-WCQYABFASA-N -1 1 344.408 3.371 20 5 EGBDMM C[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000734497978 575502137 /nfs/dbraw/zinc/50/21/37/575502137.db2.gz CCTCOCNOWOSLOD-SECBINFHSA-N -1 1 334.825 3.209 20 5 EGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000078002339 1292492693 /nfs/dbraw/zinc/49/26/93/1292492693.db2.gz CPXOBJDPMGHXEU-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM C[C@H]1CCc2[n-]n(-c3cc([N+](=O)[O-])ccc3Br)c(=O)c21 ZINC000871960200 1296632709 /nfs/dbraw/zinc/63/27/09/1296632709.db2.gz WBQHIDQAECEGOW-MADCSZMMSA-N -1 1 338.161 3.106 20 5 EGBDMM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725816824 1298369124 /nfs/dbraw/zinc/36/91/24/1298369124.db2.gz ZFZOPWMJIFQTGR-ONGXEEELSA-N -1 1 332.809 3.105 20 5 EGBDMM CCC[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768797246 1302983114 /nfs/dbraw/zinc/98/31/14/1302983114.db2.gz ZKFOJVUQWHQVCP-CYBMUJFWSA-N -1 1 340.426 3.476 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc3c2CCCC3)cc1 ZINC000782261368 1304942654 /nfs/dbraw/zinc/94/26/54/1304942654.db2.gz PSSDXLGUJCLKTE-UHFFFAOYSA-N -1 1 332.381 3.274 20 5 EGBDMM O=C(NCc1cc([N+](=O)[O-])ccc1Cl)c1c(F)ccc([O-])c1F ZINC000809715812 1317873095 /nfs/dbraw/zinc/87/30/95/1317873095.db2.gz GXNQLMQSBBTPFP-UHFFFAOYSA-N -1 1 342.685 3.162 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccnn2Cc2ccc(F)cc2)ccc1[O-] ZINC001210392765 1372341024 /nfs/dbraw/zinc/34/10/24/1372341024.db2.gz JHVLYXNOELGNMS-UHFFFAOYSA-N -1 1 328.303 3.428 20 5 EGBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cnc1Br ZINC001210393966 1372341682 /nfs/dbraw/zinc/34/16/82/1372341682.db2.gz KVYBVKNBEQQUSN-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM COC(=O)c1cccc2c(Nc3ccc([O-])c([N+](=O)[O-])c3)ccnc12 ZINC001210396459 1372342141 /nfs/dbraw/zinc/34/21/41/1372342141.db2.gz SLFHBWGEUMVDRB-UHFFFAOYSA-N -1 1 339.307 3.379 20 5 EGBDMM C[C@H]1CCc2sc(Nc3ccc([O-])c([N+](=O)[O-])c3)c(C(N)=O)c2C1 ZINC001210396407 1372342448 /nfs/dbraw/zinc/34/24/48/1372342448.db2.gz QWUGRKDSAZYTNG-QMMMGPOBSA-N -1 1 347.396 3.329 20 5 EGBDMM CCCCOc1ccc(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cc1 ZINC001212893203 1372791630 /nfs/dbraw/zinc/79/16/30/1372791630.db2.gz RCWQCJFLMXABRH-UHFFFAOYSA-N -1 1 329.316 3.214 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC)C[C@@H](C)CC ZINC001226311506 1375237465 /nfs/dbraw/zinc/23/74/65/1375237465.db2.gz XEVAYWQBGZKBAI-QWRGUYRKSA-N -1 1 340.376 3.466 20 5 EGBDMM COc1ccc2cc([C@@H](C)Oc3nc[n-]c(=O)c3[N+](=O)[O-])ccc2c1 ZINC001228140137 1375520243 /nfs/dbraw/zinc/52/02/43/1375520243.db2.gz GSTGHMJOJIBURM-SNVBAGLBSA-N -1 1 341.323 3.392 20 5 EGBDMM C[C@@H](Oc1nc(C2CC2)[n-]c(=O)c1[N+](=O)[O-])c1cccc(F)c1F ZINC001228604408 1375613425 /nfs/dbraw/zinc/61/34/25/1375613425.db2.gz RZSPEMOBPWBBMB-SSDOTTSWSA-N -1 1 337.282 3.386 20 5 EGBDMM CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398378 1375827773 /nfs/dbraw/zinc/82/77/73/1375827773.db2.gz TWCLHIXDNFVXRM-GFCCVEGCSA-N -1 1 338.360 3.079 20 5 EGBDMM COCCCn1c2cccc(F)c2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251385476 1377085766 /nfs/dbraw/zinc/08/57/66/1377085766.db2.gz BJSDXHSMTCBGOM-UHFFFAOYSA-N -1 1 345.330 3.493 20 5 EGBDMM CC[C@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926131 1424979963 /nfs/dbraw/zinc/97/99/63/1424979963.db2.gz PIBUABVTVKQBQO-ZDUSSCGKSA-N -1 1 342.334 3.477 20 5 EGBDMM CC[C@H](Nc1nccc(C)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000825149493 1442133198 /nfs/dbraw/zinc/13/31/98/1442133198.db2.gz YUJBOTYZZRFJAA-ZDUSSCGKSA-N -1 1 339.359 3.042 20 5 EGBDMM O=[N+]([O-])c1ccc(CCNc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000738359692 1443613580 /nfs/dbraw/zinc/61/35/80/1443613580.db2.gz MAYDFZQQHXGKSW-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM Cc1cc(C)c([N+](=O)[O-])c(Oc2ccc(-c3nnn[n-]3)cc2Cl)n1 ZINC000826263767 1446711473 /nfs/dbraw/zinc/71/14/73/1446711473.db2.gz PRQJCTNGLGZYBR-UHFFFAOYSA-N -1 1 346.734 3.232 20 5 EGBDMM CSCc1ccc(Nc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737182906 1447181226 /nfs/dbraw/zinc/18/12/26/1447181226.db2.gz WQKRXSVIXROFMG-UHFFFAOYSA-N -1 1 342.384 3.382 20 5 EGBDMM C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC001603430393 973177277 /nfs/dbraw/zinc/17/72/77/973177277.db2.gz RQVDRNMWYVYALX-BXKDBHETSA-N -1 1 346.305 3.156 20 5 EGBDMM CC(C)c1ccc(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c(C(=O)[O-])c1 ZINC001591968230 976565564 /nfs/dbraw/zinc/56/55/64/976565564.db2.gz KZBWJMJGFYYRJS-UHFFFAOYSA-N -1 1 344.323 3.374 20 5 EGBDMM COc1cc(C)ccc1CN[C@@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001599393410 997079566 /nfs/dbraw/zinc/07/95/66/997079566.db2.gz LKZHRRBYTWOCDC-GOSISDBHSA-N -1 1 344.367 3.001 20 5 EGBDMM COc1ccc(C(=O)[O-])cc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001599500741 997113258 /nfs/dbraw/zinc/11/32/58/997113258.db2.gz JYVPELXKWMXAMN-LLVKDONJSA-N -1 1 330.340 3.152 20 5 EGBDMM Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000265217353 247308662 /nfs/dbraw/zinc/30/86/62/247308662.db2.gz QWSLHPOXUMPAMZ-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM CCN(Cc1ccc(Cl)s1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186859092 144144656 /nfs/dbraw/zinc/14/46/56/144144656.db2.gz MLEYZRPNHMHCCY-UHFFFAOYSA-N -1 1 341.776 3.073 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1CC1CCCCC1 ZINC000187046238 144150449 /nfs/dbraw/zinc/15/04/49/144150449.db2.gz VFZRRHXHPJXQEQ-CQSZACIVSA-N -1 1 333.388 3.270 20 5 EGBDMM C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1[C@H](C)CC[C@H]1C ZINC000351764870 144303199 /nfs/dbraw/zinc/30/31/99/144303199.db2.gz ROVXSEYCPNXOBB-OPRDCNLKSA-N -1 1 341.795 3.154 20 5 EGBDMM CC(C)(COCc1ccccc1)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000337298436 154267190 /nfs/dbraw/zinc/26/71/90/154267190.db2.gz OYUVVMHPKLBSDC-UHFFFAOYSA-N -1 1 330.384 3.385 20 5 EGBDMM O=C(CSc1nc(C(F)F)cc(=O)[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000351286436 165095161 /nfs/dbraw/zinc/09/51/61/165095161.db2.gz GFXLZJADUANYJP-UHFFFAOYSA-N -1 1 341.295 3.003 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000359836949 167244724 /nfs/dbraw/zinc/24/47/24/167244724.db2.gz UCLDEVUHVMCZFE-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000354577796 299870702 /nfs/dbraw/zinc/87/07/02/299870702.db2.gz KNXKWZZLVGXJSC-VHSXEESVSA-N -1 1 332.809 3.105 20 5 EGBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C(F)(F)F ZINC000426937352 309520123 /nfs/dbraw/zinc/52/01/23/309520123.db2.gz PCXRRWZEMOYAOT-UHFFFAOYSA-N -1 1 329.234 3.203 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3ccoc3c2)cc1[N+](=O)[O-] ZINC000442841449 309888899 /nfs/dbraw/zinc/88/88/99/309888899.db2.gz AGTWOOHICVPXBF-UHFFFAOYSA-N -1 1 332.337 3.450 20 5 EGBDMM C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445217974 309937985 /nfs/dbraw/zinc/93/79/85/309937985.db2.gz VHZCVOOLBOXDCO-MEDUHNTESA-N -1 1 341.367 3.139 20 5 EGBDMM COC(=O)c1cc(C(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000505193404 312016685 /nfs/dbraw/zinc/01/66/85/312016685.db2.gz KZUSWIFPQWHOQI-UHFFFAOYSA-N -1 1 331.328 3.085 20 5 EGBDMM CCCOc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000541073026 314432930 /nfs/dbraw/zinc/43/29/30/314432930.db2.gz VPOXTNAIRTZLAB-UHFFFAOYSA-N -1 1 336.369 3.184 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCC2CCCC2)c2cnccc21 ZINC000600668505 460561807 /nfs/dbraw/zinc/56/18/07/460561807.db2.gz XXFQQFDDPWIHET-UHFFFAOYSA-N -1 1 349.412 3.465 20 5 EGBDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000600673141 460564292 /nfs/dbraw/zinc/56/42/92/460564292.db2.gz CTFDTBGXDZTQCQ-UWVGGRQHSA-N -1 1 328.315 3.016 20 5 EGBDMM O=C(Nc1ccc(F)c(Br)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000135309601 454661575 /nfs/dbraw/zinc/66/15/75/454661575.db2.gz CSUHREJDSDERTN-UHFFFAOYSA-N -1 1 328.097 3.077 20 5 EGBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000191784139 455518770 /nfs/dbraw/zinc/51/87/70/455518770.db2.gz NEANWMSEPVHWAK-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1[O-] ZINC000340330238 456390792 /nfs/dbraw/zinc/39/07/92/456390792.db2.gz JVLLSYQPOVIJSV-UHFFFAOYSA-N -1 1 333.319 3.270 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2cc(OCC)ccc2[N+](=O)[O-])s1 ZINC000282698473 456596288 /nfs/dbraw/zinc/59/62/88/456596288.db2.gz SMNLMKUXNZUWRX-UHFFFAOYSA-N -1 1 336.373 3.050 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2c(C)cc(F)cc2C)ccc1[N+](=O)[O-] ZINC000323200114 456652216 /nfs/dbraw/zinc/65/22/16/456652216.db2.gz KHAJHOZTIULGPE-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM O=C(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc([N+](=O)[O-])[n-]1 ZINC000339846065 457308085 /nfs/dbraw/zinc/30/80/85/457308085.db2.gz JHVIQDYMJDRESR-UHFFFAOYSA-N -1 1 349.350 3.090 20 5 EGBDMM CC1(C)C[C@@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000425117597 457442894 /nfs/dbraw/zinc/44/28/94/457442894.db2.gz KQVUIHQACLAKIT-HNNXBMFYSA-N -1 1 341.367 3.309 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)[n-]1 ZINC000356408752 457611066 /nfs/dbraw/zinc/61/10/66/457611066.db2.gz RWSHUXHMPBXOHD-UHFFFAOYSA-N -1 1 327.275 3.184 20 5 EGBDMM COc1ccc([N+](=O)[O-])c(Cc2noc(-c3ccc(C)cc3[O-])n2)c1 ZINC000445570300 458064591 /nfs/dbraw/zinc/06/45/91/458064591.db2.gz FMZMGQOTFVUUBE-UHFFFAOYSA-N -1 1 341.323 3.258 20 5 EGBDMM COc1cccc(-c2nc(-c3ccc([O-])c(F)c3)no2)c1[N+](=O)[O-] ZINC000436870344 458396791 /nfs/dbraw/zinc/39/67/91/458396791.db2.gz DNTBWWKUQGBQAF-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1-c1nc(-c2ccc([O-])c(F)c2)no1 ZINC000436881290 458398706 /nfs/dbraw/zinc/39/87/06/458398706.db2.gz WZOBMPACPPSVLU-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM COc1cccc(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1[O-] ZINC000436900671 458402713 /nfs/dbraw/zinc/40/27/13/458402713.db2.gz IWAILWVZOUXASL-UHFFFAOYSA-N -1 1 327.296 3.334 20 5 EGBDMM COc1ccc(-c2nc(Cc3ccc([N+](=O)[O-])c(C)c3)no2)c([O-])c1 ZINC000436952373 458412575 /nfs/dbraw/zinc/41/25/75/458412575.db2.gz VWRHQMKTBLKIBB-UHFFFAOYSA-N -1 1 341.323 3.258 20 5 EGBDMM CC(C)n1cnnc1-c1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000440081236 458780954 /nfs/dbraw/zinc/78/09/54/458780954.db2.gz RYSXTSJYBLHLIU-UHFFFAOYSA-N -1 1 340.343 3.015 20 5 EGBDMM Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456828198 458792885 /nfs/dbraw/zinc/79/28/85/458792885.db2.gz DNQTWXUQCXAAIM-AWEZNQCLSA-N -1 1 345.330 3.120 20 5 EGBDMM Cc1cc(NC[C@@H]2CCCC[N@H+]2C2CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000577283218 459011030 /nfs/dbraw/zinc/01/10/30/459011030.db2.gz PEBNCHIHRLVBNY-AWEZNQCLSA-N -1 1 333.388 3.030 20 5 EGBDMM CCCc1cc(=O)[n-]c(SCCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000520013764 459027834 /nfs/dbraw/zinc/02/78/34/459027834.db2.gz QWGZSKISFXNRSL-UHFFFAOYSA-N -1 1 335.385 3.214 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590775099 459213259 /nfs/dbraw/zinc/21/32/59/459213259.db2.gz HHWKQXNZTYKLMP-AWEZNQCLSA-N -1 1 344.342 3.459 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c1 ZINC000544641914 459774689 /nfs/dbraw/zinc/77/46/89/459774689.db2.gz TUCLCALXVQJDDR-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CCCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000593736363 459966803 /nfs/dbraw/zinc/96/68/03/459966803.db2.gz IVJZFLVCRDKSHD-HNNXBMFYSA-N -1 1 336.388 3.074 20 5 EGBDMM O=C(Nc1cnn(-c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000730221051 574949568 /nfs/dbraw/zinc/94/95/68/574949568.db2.gz LXVJGXJGJSPVIX-UHFFFAOYSA-N -1 1 331.719 3.014 20 5 EGBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(C)(C)C ZINC000734498009 575502082 /nfs/dbraw/zinc/50/20/82/575502082.db2.gz CCTCOCNOWOSLOD-VIFPVBQESA-N -1 1 334.825 3.209 20 5 EGBDMM CC(C)(NCc1ccc(C(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000833461471 605172325 /nfs/dbraw/zinc/17/23/25/605172325.db2.gz YHSBETYQHSNAIV-UHFFFAOYSA-N -1 1 332.331 3.457 20 5 EGBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2cccc(F)c2F)cc1[N+](=O)[O-] ZINC000078824513 1292530353 /nfs/dbraw/zinc/53/03/53/1292530353.db2.gz PPSODWYTILHJQE-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM CCC(F)(F)C(=O)[N-]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000834647284 1293126492 /nfs/dbraw/zinc/12/64/92/1293126492.db2.gz LUBUENVMSLDWMM-UHFFFAOYSA-N -1 1 326.221 3.275 20 5 EGBDMM COC(=O)c1c[n-]c(SCc2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000788503937 1305958023 /nfs/dbraw/zinc/95/80/23/1305958023.db2.gz ABADOONUFZNYER-UHFFFAOYSA-N -1 1 327.749 3.050 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c1 ZINC000800929825 1310838553 /nfs/dbraw/zinc/83/85/53/1310838553.db2.gz QLGGVYZKAHSEFS-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM Cc1cc(N[C@@H]2CN(C)Cc3ccccc32)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910365838 1318619291 /nfs/dbraw/zinc/61/92/91/1318619291.db2.gz XEUJDCHWZJJVMG-MRXNPFEDSA-N -1 1 341.367 3.200 20 5 EGBDMM C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000928381447 1328298594 /nfs/dbraw/zinc/29/85/94/1328298594.db2.gz CPYWSJKWKVDOHC-IUODEOHRSA-N -1 1 341.367 3.104 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccc3nc(C4CCC4)nn3c2)ccc1[O-] ZINC001210394604 1372340914 /nfs/dbraw/zinc/34/09/14/1372340914.db2.gz CHLUFLFNPDOORK-UHFFFAOYSA-N -1 1 325.328 3.354 20 5 EGBDMM COc1ncc(Br)cc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210393740 1372341015 /nfs/dbraw/zinc/34/10/15/1372341015.db2.gz YODPOKKGOPSETI-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM CCOC(=O)c1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC001210396548 1372342129 /nfs/dbraw/zinc/34/21/29/1372342129.db2.gz UJLNQPWRDCNUCS-UHFFFAOYSA-N -1 1 337.719 3.269 20 5 EGBDMM Cc1c(-c2noc(-c3[n-]cnc3[N+](=O)[O-])n2)cccc1C(F)(F)F ZINC001212893010 1372791393 /nfs/dbraw/zinc/79/13/93/1372791393.db2.gz IJCQTATWAKSTMZ-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM O=c1cc[n-]c(O[C@H](c2ccccc2)C2CCOCC2)c1[N+](=O)[O-] ZINC001225667988 1375140777 /nfs/dbraw/zinc/14/07/77/1375140777.db2.gz XQDWMAHSTKBNEX-MRXNPFEDSA-N -1 1 330.340 3.242 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1cccs1 ZINC001226307353 1375236450 /nfs/dbraw/zinc/23/64/50/1375236450.db2.gz KDXVGIUDPBWHIT-MRVPVSSYSA-N -1 1 338.341 3.074 20 5 EGBDMM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001229260642 1375796678 /nfs/dbraw/zinc/79/66/78/1375796678.db2.gz WJXVKFSOWBUKPY-IBGZPJMESA-N -1 1 341.363 3.252 20 5 EGBDMM COc1ccc(Nc2nc(Br)ccc2[O-])cc1[N+](=O)[O-] ZINC001176360036 1385563442 /nfs/dbraw/zinc/56/34/42/1385563442.db2.gz PZBCWCBSJHYRAC-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM Cc1ccc(C(C)C)cc1Oc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000822229687 1429269675 /nfs/dbraw/zinc/26/96/75/1429269675.db2.gz ZJVAYVSFUAIRID-UHFFFAOYSA-N -1 1 340.343 3.394 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000823640017 1429559073 /nfs/dbraw/zinc/55/90/73/1429559073.db2.gz PLNSANQDPFQJPG-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM CCc1ccc(OCc2ccc(F)c(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000821487409 1441900619 /nfs/dbraw/zinc/90/06/19/1441900619.db2.gz SIKSGSADLRMQPF-UHFFFAOYSA-N -1 1 343.318 3.055 20 5 EGBDMM CN(CCC1(C(=O)[O-])CCC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000903693722 956874542 /nfs/dbraw/zinc/87/45/42/956874542.db2.gz MYFPKDKABMLIAH-UHFFFAOYSA-N -1 1 326.780 3.325 20 5 EGBDMM O=C([O-])c1ccc(CNCc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC001606491076 973974823 /nfs/dbraw/zinc/97/48/23/973974823.db2.gz CEIXGMDQGQQBTL-UHFFFAOYSA-N -1 1 326.761 3.298 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](c2ccccc2)CC1 ZINC000171212972 144001864 /nfs/dbraw/zinc/00/18/64/144001864.db2.gz CBBQKBAPVNGFBZ-AWEZNQCLSA-N -1 1 341.367 3.105 20 5 EGBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000171212966 144002178 /nfs/dbraw/zinc/00/21/78/144002178.db2.gz CBBQKBAPVNGFBZ-CQSZACIVSA-N -1 1 341.367 3.105 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CSc1nc(-c2ccccn2)n[nH]1 ZINC000117115929 152085742 /nfs/dbraw/zinc/08/57/42/152085742.db2.gz XHNRNWCBUHFNTQ-UHFFFAOYSA-N -1 1 343.368 3.076 20 5 EGBDMM C[C@@H](c1ccccc1Cl)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193403843 266030966 /nfs/dbraw/zinc/03/09/66/266030966.db2.gz VCTPIVUERBLISW-VIFPVBQESA-N -1 1 335.747 3.182 20 5 EGBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c(F)c1 ZINC000194637255 266134022 /nfs/dbraw/zinc/13/40/22/266134022.db2.gz UFFRSMVWZLKPTJ-UHFFFAOYSA-N -1 1 338.360 3.293 20 5 EGBDMM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2cccc(Cl)c2O1 ZINC000273206891 266996150 /nfs/dbraw/zinc/99/61/50/266996150.db2.gz RMIADJNTZZCGDG-SECBINFHSA-N -1 1 335.747 3.394 20 5 EGBDMM C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274881270 267301277 /nfs/dbraw/zinc/30/12/77/267301277.db2.gz CUDZNNNGOMEPJB-TYNCELHUSA-N -1 1 341.367 3.102 20 5 EGBDMM Cn1nc([N-]c2ncc([N+](=O)[O-])cc2Br)cc1C1CC1 ZINC000291261837 276616131 /nfs/dbraw/zinc/61/61/31/276616131.db2.gz ZCVWGWULYLIVMN-UHFFFAOYSA-N -1 1 338.165 3.107 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c1C ZINC000132888485 307664027 /nfs/dbraw/zinc/66/40/27/307664027.db2.gz AQGWAMMKPFNYEK-UHFFFAOYSA-N -1 1 348.380 3.043 20 5 EGBDMM O=[N+]([O-])c1ccccc1NCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445459710 309941568 /nfs/dbraw/zinc/94/15/68/309941568.db2.gz GFOLYSATIDVBOS-UHFFFAOYSA-N -1 1 330.275 3.102 20 5 EGBDMM CC(=O)c1cccc(NC(=O)C=Cc2ccccc2[N+](=O)[O-])c1[O-] ZINC000493850031 311438711 /nfs/dbraw/zinc/43/87/11/311438711.db2.gz SIHHCWXEIOPAIR-MDZDMXLPSA-N -1 1 326.308 3.155 20 5 EGBDMM CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000516344250 312320772 /nfs/dbraw/zinc/32/07/72/312320772.db2.gz INCGHOBYUANFKH-JQWIXIFHSA-N -1 1 346.836 3.495 20 5 EGBDMM CSc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000014871257 453546274 /nfs/dbraw/zinc/54/62/74/453546274.db2.gz VJCXRKJMDPDEIN-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM Cc1ccsc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000028324150 453823078 /nfs/dbraw/zinc/82/30/78/453823078.db2.gz NVJFCZGFBXZIPT-UHFFFAOYSA-N -1 1 346.817 3.097 20 5 EGBDMM O=C(c1ccc(Cl)cc1[O-])N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088251890 454096580 /nfs/dbraw/zinc/09/65/80/454096580.db2.gz YMCZAOVQLQXTLN-UHFFFAOYSA-N -1 1 332.743 3.152 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1[N+](=O)[O-] ZINC000179392101 455043833 /nfs/dbraw/zinc/04/38/33/455043833.db2.gz JNCGKFHZPOMKMG-NSHDSACASA-N -1 1 348.380 3.027 20 5 EGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1cc2cccc(F)c2o1 ZINC000356996364 457264761 /nfs/dbraw/zinc/26/47/61/457264761.db2.gz KQZUUEHYBVPFQP-MRVPVSSYSA-N -1 1 345.286 3.072 20 5 EGBDMM COc1cccc(C2(c3noc(-c4ccc([N+](=O)[O-])[n-]4)n3)CCC2)c1 ZINC000347416330 457413482 /nfs/dbraw/zinc/41/34/82/457413482.db2.gz RTGYARWENWPHQR-UHFFFAOYSA-N -1 1 340.339 3.452 20 5 EGBDMM Cc1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1[N+](=O)[O-] ZINC000372211892 458235218 /nfs/dbraw/zinc/23/52/18/458235218.db2.gz NKXYVYWGEQAQEU-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM COc1ccc([N-]C(=O)c2c(C)noc2C(F)F)c([N+](=O)[O-])c1 ZINC000610432083 460149999 /nfs/dbraw/zinc/14/99/99/460149999.db2.gz BAWJBQQSODFWAG-UHFFFAOYSA-N -1 1 327.243 3.090 20 5 EGBDMM C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370699385 547790204 /nfs/dbraw/zinc/79/02/04/547790204.db2.gz LPTUBSFSCNHLGP-TZMCWYRMSA-N -1 1 341.367 3.104 20 5 EGBDMM CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000728936745 574788471 /nfs/dbraw/zinc/78/84/71/574788471.db2.gz RPCBRTIAEIXUDH-NWDGAFQWSA-N -1 1 344.408 3.227 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000744874522 576836113 /nfs/dbraw/zinc/83/61/13/576836113.db2.gz ZBWKPPVQILTYEO-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826053396 601657590 /nfs/dbraw/zinc/65/75/90/601657590.db2.gz IVQOGOXTJWGZJJ-BZNIZROVSA-N -1 1 332.331 3.286 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c(Cl)c1 ZINC000077687837 1292481585 /nfs/dbraw/zinc/48/15/85/1292481585.db2.gz SBJFDSUWLJZKCL-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc([N+](=O)[O-])c1F ZINC000154290699 1294049296 /nfs/dbraw/zinc/04/92/96/1294049296.db2.gz PYSWFTGINMHZDN-UHFFFAOYSA-N -1 1 349.343 3.324 20 5 EGBDMM Cc1ccc(-c2cc(C(=O)OCc3ccc([N+](=O)[O-])cc3F)[nH]n2)o1 ZINC000746965276 1298697333 /nfs/dbraw/zinc/69/73/33/1298697333.db2.gz UDRUZLBKUKYYGX-UHFFFAOYSA-N -1 1 345.286 3.382 20 5 EGBDMM CCc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000769050061 1303036626 /nfs/dbraw/zinc/03/66/26/1303036626.db2.gz ZFDJEZBFEZRZJD-LLVKDONJSA-N -1 1 343.335 3.291 20 5 EGBDMM O=C(OCCCOCCc1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780076119 1304635577 /nfs/dbraw/zinc/63/55/77/1304635577.db2.gz RPSQTJGMCQLEQI-UHFFFAOYSA-N -1 1 345.351 3.107 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cncc(Cl)c2)c1Cl ZINC000788215996 1305897871 /nfs/dbraw/zinc/89/78/71/1305897871.db2.gz FHHBJZVDWFDOAP-UHFFFAOYSA-N -1 1 348.167 3.097 20 5 EGBDMM Cc1ccc(F)c(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c1 ZINC000800052198 1310662660 /nfs/dbraw/zinc/66/26/60/1310662660.db2.gz KNYLNNLGGSDMLM-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)c(F)c1 ZINC000800052271 1310662874 /nfs/dbraw/zinc/66/28/74/1310662874.db2.gz NZVNEQSARROGQS-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CCOC(=O)NC(=S)[N-]c1cccc2nc3ccccc3nc12 ZINC001195490811 1368444357 /nfs/dbraw/zinc/44/43/57/1368444357.db2.gz MDEAOUFOEVBSRI-UHFFFAOYSA-N -1 1 326.381 3.226 20 5 EGBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)ncc1C(F)(F)F ZINC001210395060 1372341428 /nfs/dbraw/zinc/34/14/28/1372341428.db2.gz PEYDYCHZZWOCQS-UHFFFAOYSA-N -1 1 329.234 3.466 20 5 EGBDMM Cc1ccccc1-c1noc(-c2n[n-]c(C(F)(F)F)c2[N+](=O)[O-])n1 ZINC001212973341 1372809269 /nfs/dbraw/zinc/80/92/69/1372809269.db2.gz XNJNBSKNPFWVLM-UHFFFAOYSA-N -1 1 339.233 3.362 20 5 EGBDMM CCOC(=O)c1scnc1[N-]c1c(F)ccc([N+](=O)[O-])c1F ZINC001215285269 1373194649 /nfs/dbraw/zinc/19/46/49/1373194649.db2.gz HVRDZWJTLKSXBU-UHFFFAOYSA-N -1 1 329.284 3.250 20 5 EGBDMM CCCCC[C@@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226307111 1375236229 /nfs/dbraw/zinc/23/62/29/1375236229.db2.gz FJSGYTICCLKOAS-SNVBAGLBSA-N -1 1 326.349 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](C)c1ccccc1C ZINC001226311532 1375237474 /nfs/dbraw/zinc/23/74/74/1375237474.db2.gz XQCLJZKNAXKCPA-NSHDSACASA-N -1 1 346.339 3.321 20 5 EGBDMM C[C@H]1OCC[C@H]1COc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306887 1375418486 /nfs/dbraw/zinc/41/84/86/1375418486.db2.gz OTAXGQLTAAQQLG-MNOVXSKESA-N -1 1 342.347 3.161 20 5 EGBDMM C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])ccc2[O-])CN1C(=O)OC(C)(C)C ZINC001229397525 1375828537 /nfs/dbraw/zinc/82/85/37/1375828537.db2.gz JLTNOAAEBBLKES-PWSUYJOCSA-N -1 1 338.360 3.077 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C)c1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822270930 1441508387 /nfs/dbraw/zinc/50/83/87/1441508387.db2.gz DRPSZDOGHABQSP-UHFFFAOYSA-N -1 1 342.334 3.143 20 5 EGBDMM Cc1cccc([C@@H](NCc2cc([N+](=O)[O-])ccc2Cl)C(=O)[O-])c1 ZINC001594397658 958783533 /nfs/dbraw/zinc/78/35/33/958783533.db2.gz LKTKKTZNALPWNK-OAHLLOKOSA-N -1 1 334.759 3.472 20 5 EGBDMM C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC001603430394 973176976 /nfs/dbraw/zinc/17/69/76/973176976.db2.gz RQVDRNMWYVYALX-CABZTGNLSA-N -1 1 346.305 3.156 20 5 EGBDMM C[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC001603461567 973304581 /nfs/dbraw/zinc/30/45/81/973304581.db2.gz QVDIVQIGUSSYES-JOYOIKCWSA-N -1 1 346.305 3.156 20 5 EGBDMM C[C@H]1CC(C(=O)[O-])C[C@H](C)N1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001594207496 998800139 /nfs/dbraw/zinc/80/01/39/998800139.db2.gz DQVSEQFLOGGGRH-UWVGGRQHSA-N -1 1 326.780 3.322 20 5 EGBDMM C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193632725 240240443 /nfs/dbraw/zinc/24/04/43/240240443.db2.gz YKLLFAVABDHUBK-IINYFYTJSA-N -1 1 345.330 3.058 20 5 EGBDMM CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c2ncccc12 ZINC000361722250 144354891 /nfs/dbraw/zinc/35/48/91/144354891.db2.gz UXYSBVVJSPWARL-UHFFFAOYSA-N -1 1 326.312 3.122 20 5 EGBDMM CC[C@@H](C)c1cc(C(=O)[N-]c2cc(C(=O)OC)cc([N+](=O)[O-])c2)on1 ZINC000121629662 152363116 /nfs/dbraw/zinc/36/31/16/152363116.db2.gz HWHHGEYCZPOLQB-SECBINFHSA-N -1 1 347.327 3.135 20 5 EGBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1Cl ZINC000303219564 154040737 /nfs/dbraw/zinc/04/07/37/154040737.db2.gz UNPKGASJMPZZHW-UHFFFAOYSA-N -1 1 349.774 3.056 20 5 EGBDMM COc1cccc(C(=O)[N-]c2c(F)cc(F)cc2F)c1[N+](=O)[O-] ZINC000194519251 266124881 /nfs/dbraw/zinc/12/48/81/266124881.db2.gz TYBKWUVFMBCVDZ-UHFFFAOYSA-N -1 1 326.230 3.273 20 5 EGBDMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cc1 ZINC000279120299 275305506 /nfs/dbraw/zinc/30/55/06/275305506.db2.gz XDWVUZQUCFIDGM-IUODEOHRSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(F)c2C)cc1[N+](=O)[O-] ZINC000491583180 311185706 /nfs/dbraw/zinc/18/57/06/311185706.db2.gz GZVAYLUMNQYIPU-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1 ZINC000181329538 455319284 /nfs/dbraw/zinc/31/92/84/455319284.db2.gz KVPQZUHKJYKXAH-UHFFFAOYSA-N -1 1 336.369 3.183 20 5 EGBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000007053270 453024106 /nfs/dbraw/zinc/02/41/06/453024106.db2.gz BOWBUMGEPOKFIP-UHFFFAOYSA-N -1 1 346.286 3.414 20 5 EGBDMM CCCc1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000007981421 453143805 /nfs/dbraw/zinc/14/38/05/453143805.db2.gz VCZRGGOEBJXKEQ-UHFFFAOYSA-N -1 1 326.765 3.305 20 5 EGBDMM O=C([N-]c1nncs1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000058150199 454164756 /nfs/dbraw/zinc/16/47/56/454164756.db2.gz KRRJOVPSKGVFIQ-UHFFFAOYSA-N -1 1 342.336 3.491 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCCO)[C@@H]1CCc2ccccc21 ZINC000093388824 454711626 /nfs/dbraw/zinc/71/16/26/454711626.db2.gz OFVQPZWONFKRCJ-LJQANCHMSA-N -1 1 342.395 3.172 20 5 EGBDMM CC[C@H](Cc1ccccc1)N(CC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193723972 455772986 /nfs/dbraw/zinc/77/29/86/455772986.db2.gz ZJXCLQZNQANCBN-OAHLLOKOSA-N -1 1 343.383 3.179 20 5 EGBDMM CCOc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000194206812 455814815 /nfs/dbraw/zinc/81/48/15/455814815.db2.gz TWKQEJCNJFSPSZ-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccc(F)cc2)CCOCC1 ZINC000339035116 456909035 /nfs/dbraw/zinc/90/90/35/456909035.db2.gz UDTSHCQEVYESME-UHFFFAOYSA-N -1 1 346.358 3.235 20 5 EGBDMM Cc1c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)cccc1[N+](=O)[O-] ZINC000339123579 456950794 /nfs/dbraw/zinc/95/07/94/456950794.db2.gz PLENQSKPCJWBPL-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000342778902 457520306 /nfs/dbraw/zinc/52/03/06/457520306.db2.gz KOCTTXDMTATMFE-WFASDCNBSA-N -1 1 341.367 3.309 20 5 EGBDMM O=[N+]([O-])c1ccccc1NCCc1nc(-c2ccc([O-])cc2F)no1 ZINC000445465843 458053782 /nfs/dbraw/zinc/05/37/82/458053782.db2.gz UFIINSNASADJJH-UHFFFAOYSA-N -1 1 344.302 3.144 20 5 EGBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000594734441 459145097 /nfs/dbraw/zinc/14/50/97/459145097.db2.gz ZUMFUPQQIFQTSZ-AXFHLTTASA-N -1 1 346.305 3.241 20 5 EGBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000188152838 535801851 /nfs/dbraw/zinc/80/18/51/535801851.db2.gz XARWVDQYHXFGRA-GFCCVEGCSA-N -1 1 335.747 3.230 20 5 EGBDMM CCC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000728298581 574736642 /nfs/dbraw/zinc/73/66/42/574736642.db2.gz WVTLNQNCZMOTJR-AAEUAGOBSA-N -1 1 344.408 3.371 20 5 EGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000047417647 1291573135 /nfs/dbraw/zinc/57/31/35/1291573135.db2.gz WVXLNAIGSMYXPL-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cccc1[N+](=O)[O-] ZINC000829618296 1292592930 /nfs/dbraw/zinc/59/29/30/1292592930.db2.gz SAMDWUSYXISJSK-UHFFFAOYSA-N -1 1 348.380 3.245 20 5 EGBDMM Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1 ZINC000161669249 1294297599 /nfs/dbraw/zinc/29/75/99/1294297599.db2.gz JSRWUYDZRGULSS-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000748614133 1299049597 /nfs/dbraw/zinc/04/95/97/1299049597.db2.gz VTXWPUCNZANFEM-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1cc2nccnc2cc1F ZINC000791471035 1309005471 /nfs/dbraw/zinc/00/54/71/1309005471.db2.gz KTWSSJIWIKYWPC-UHFFFAOYSA-N -1 1 330.250 3.069 20 5 EGBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000800051425 1310662589 /nfs/dbraw/zinc/66/25/89/1310662589.db2.gz KWXWWTQLQVQOJY-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM Nc1ccc2c(c1)c(-c1ccncc1)nn2-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001201231901 1369500918 /nfs/dbraw/zinc/50/09/18/1369500918.db2.gz MRSWEKMXDDPHJJ-UHFFFAOYSA-N -1 1 347.334 3.284 20 5 EGBDMM COC(=O)c1sc(SC)nc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392583 1372340483 /nfs/dbraw/zinc/34/04/83/1372340483.db2.gz HFTVJLYOTQFZGQ-UHFFFAOYSA-N -1 1 341.370 3.009 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc(Cl)c(F)c(Cl)c2)no1 ZINC001212893006 1372791670 /nfs/dbraw/zinc/79/16/70/1372791670.db2.gz ICVHUADHPPJNEH-UHFFFAOYSA-N -1 1 344.089 3.481 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H]1[C@H](C)CCC[C@@H]1C ZINC001226308984 1375236520 /nfs/dbraw/zinc/23/65/20/1375236520.db2.gz AYXMBHRFPWWCGF-IWIIMEHWSA-N -1 1 338.360 3.076 20 5 EGBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001340028999 1390210666 /nfs/dbraw/zinc/21/06/66/1390210666.db2.gz GUZMDQUMUAIMJQ-JTQLQIEISA-N -1 1 344.371 3.013 20 5 EGBDMM CC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC001342727453 1390646202 /nfs/dbraw/zinc/64/62/02/1390646202.db2.gz INZUFEYGFJTQJZ-LBPRGKRZSA-N -1 1 344.389 3.225 20 5 EGBDMM CC[C@@H](Nc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000820925065 1424340571 /nfs/dbraw/zinc/34/05/71/1424340571.db2.gz CSDGVQAVNVECOX-CYBMUJFWSA-N -1 1 341.375 3.170 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368922 1427859259 /nfs/dbraw/zinc/85/92/59/1427859259.db2.gz FQSBWYWQBSWQER-DOMZBBRYSA-N -1 1 328.376 3.156 20 5 EGBDMM CSCc1ccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])cc1 ZINC000737183362 1441670069 /nfs/dbraw/zinc/67/00/69/1441670069.db2.gz ZTWCYXXVRVSLIZ-UHFFFAOYSA-N -1 1 342.384 3.382 20 5 EGBDMM C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820455320 1441910337 /nfs/dbraw/zinc/91/03/37/1441910337.db2.gz GUJOSTFJSHMEID-VIFPVBQESA-N -1 1 328.307 3.087 20 5 EGBDMM O=[N+]([O-])c1ccc(CSCc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826498355 1443945957 /nfs/dbraw/zinc/94/59/57/1443945957.db2.gz QZBNWFGMOHYPSW-UHFFFAOYSA-N -1 1 345.359 3.347 20 5 EGBDMM O=[N+]([O-])c1cccc(F)c1CSc1ccccc1-c1nnn[n-]1 ZINC000738369754 1446364805 /nfs/dbraw/zinc/36/48/05/1446364805.db2.gz NTGNXTCOLMMLAS-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM O=C([O-])[C@H]1CCCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000263401886 962565440 /nfs/dbraw/zinc/56/54/40/962565440.db2.gz IKRBSJLIXHXDFM-OAHLLOKOSA-N -1 1 330.340 3.294 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000352973614 141281458 /nfs/dbraw/zinc/28/14/58/141281458.db2.gz RUGLSGAGCBDPSN-OAHLLOKOSA-N -1 1 339.351 3.063 20 5 EGBDMM Cc1ccc(C)c([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000185857327 144120659 /nfs/dbraw/zinc/12/06/59/144120659.db2.gz BGCZMWTUDIMSDA-OAHLLOKOSA-N -1 1 341.367 3.290 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3ccc(C)c([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000354804194 166036399 /nfs/dbraw/zinc/03/63/99/166036399.db2.gz WIKIANLPCGSDMP-UHFFFAOYSA-N -1 1 342.380 3.337 20 5 EGBDMM Cc1ccc(CS(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(C)c2)c(F)c1 ZINC000194651297 266134531 /nfs/dbraw/zinc/13/45/31/266134531.db2.gz MTJKQEWZMFQCGA-UHFFFAOYSA-N -1 1 338.360 3.293 20 5 EGBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)ccc1[O-] ZINC000094039891 275156195 /nfs/dbraw/zinc/15/61/95/275156195.db2.gz QDICGFPGWAZAFM-UHFFFAOYSA-N -1 1 332.331 3.490 20 5 EGBDMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000131726208 292705452 /nfs/dbraw/zinc/70/54/52/292705452.db2.gz RJHSRTJOQWFCNR-STQMWFEESA-N -1 1 341.367 3.022 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])cc1CNCc1ccc(C(=O)[O-])c(C)c1 ZINC000417665387 309216815 /nfs/dbraw/zinc/21/68/15/309216815.db2.gz CKHVAMFJZCPFHO-UHFFFAOYSA-N -1 1 344.367 3.290 20 5 EGBDMM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc([N+](=O)[O-])c(C)cc1C ZINC000421144521 309314970 /nfs/dbraw/zinc/31/49/70/309314970.db2.gz VTBSCNKDRSKRKD-CYBMUJFWSA-N -1 1 344.433 3.014 20 5 EGBDMM O=C([O-])CC[C@H]1CCCN(Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000261941230 455975037 /nfs/dbraw/zinc/97/50/37/455975037.db2.gz LKKOMQSGIZHFLL-LLVKDONJSA-N -1 1 326.780 3.325 20 5 EGBDMM CCN(CC)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000092548818 454585392 /nfs/dbraw/zinc/58/53/92/454585392.db2.gz NMKATHQTGSCUEH-QGZVFWFLSA-N -1 1 343.383 3.322 20 5 EGBDMM Cc1cccc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1C ZINC000185724757 455606795 /nfs/dbraw/zinc/60/67/95/455606795.db2.gz IKZFSUITRXJJJA-OAHLLOKOSA-N -1 1 341.367 3.290 20 5 EGBDMM CC(C)c1cccc2c1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000188117644 456001791 /nfs/dbraw/zinc/00/17/91/456001791.db2.gz LIPLJVQRUGPLBA-UHFFFAOYSA-N -1 1 341.367 3.017 20 5 EGBDMM CN(C(=O)c1ccc([N+](=O)[O-])[n-]1)c1cccc(OC(F)(F)F)c1 ZINC000343310298 456522505 /nfs/dbraw/zinc/52/25/05/456522505.db2.gz NFLOSCLSTJLJGU-UHFFFAOYSA-N -1 1 329.234 3.098 20 5 EGBDMM O=[N+]([O-])c1ccc2[nH]c(CNCc3cccc([O-])c3Cl)nc2c1 ZINC000353236472 456578306 /nfs/dbraw/zinc/57/83/06/456578306.db2.gz SNAIOLLPESMJSG-UHFFFAOYSA-N -1 1 332.747 3.120 20 5 EGBDMM CCOC(=O)c1c(C)c(C)sc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000319827967 456623036 /nfs/dbraw/zinc/62/30/36/456623036.db2.gz MRSDMKOMMQPHNU-UHFFFAOYSA-N -1 1 337.357 3.030 20 5 EGBDMM Cc1cc(N2CCC(CC(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000326357628 456693362 /nfs/dbraw/zinc/69/33/62/456693362.db2.gz QNLJBAZFVPQJII-UHFFFAOYSA-N -1 1 329.356 3.143 20 5 EGBDMM CCc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1cccc(C)c1 ZINC000361283275 457678477 /nfs/dbraw/zinc/67/84/77/457678477.db2.gz XWGUFKJFFPHSRE-UHFFFAOYSA-N -1 1 339.355 3.232 20 5 EGBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000426513001 457847663 /nfs/dbraw/zinc/84/76/63/457847663.db2.gz ZPSJBRWXTCOBEX-UHFFFAOYSA-N -1 1 345.746 3.323 20 5 EGBDMM C[C@@]1(C(=O)[O-])CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593746984 459972928 /nfs/dbraw/zinc/97/29/28/459972928.db2.gz ZUFLZQNUDWXDGZ-ZDUSSCGKSA-N -1 1 332.278 3.053 20 5 EGBDMM O=[N+]([O-])c1cc(NCCc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000823634897 606644592 /nfs/dbraw/zinc/64/45/92/606644592.db2.gz NTMRHWYUFCELSU-UHFFFAOYSA-N -1 1 344.762 3.083 20 5 EGBDMM O=c1cc(CSc2ccc([N+](=O)[O-])cn2)c2ccc([O-])cc2o1 ZINC000045337163 1291511295 /nfs/dbraw/zinc/51/12/95/1291511295.db2.gz WXTZSMYDLAAWPT-UHFFFAOYSA-N -1 1 330.321 3.094 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])c(Cl)c2)cc1 ZINC000120197671 1293310405 /nfs/dbraw/zinc/31/04/05/1293310405.db2.gz ILZURRFEKRSRRO-UHFFFAOYSA-N -1 1 342.760 3.058 20 5 EGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000132258178 1293713903 /nfs/dbraw/zinc/71/39/03/1293713903.db2.gz BIVXXNLZAFONAF-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SC(F)F)c1[N+](=O)[O-] ZINC000171368954 1294405028 /nfs/dbraw/zinc/40/50/28/1294405028.db2.gz BTVOEMJQOBKXQF-UHFFFAOYSA-N -1 1 342.327 3.447 20 5 EGBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000780069642 1304635659 /nfs/dbraw/zinc/63/56/59/1304635659.db2.gz QZWAMEZSXLJZII-VIFPVBQESA-N -1 1 349.726 3.382 20 5 EGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1nc2ccccc2o1 ZINC000801290143 1310901362 /nfs/dbraw/zinc/90/13/62/1310901362.db2.gz WKYYLBQMBFZGLR-SECBINFHSA-N -1 1 328.280 3.360 20 5 EGBDMM CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](CCC(=O)[O-])C1 ZINC000842471343 1321392730 /nfs/dbraw/zinc/39/27/30/1321392730.db2.gz GIHZWZBSVPJJKW-CYBMUJFWSA-N -1 1 336.388 3.070 20 5 EGBDMM COc1nc(Br)ccc1Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC001210392287 1372340286 /nfs/dbraw/zinc/34/02/86/1372340286.db2.gz FJXUFUDVDVVXRE-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM C[C@H]1CCc2c(sc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC001210392354 1372340555 /nfs/dbraw/zinc/34/05/55/1372340555.db2.gz BPTNIIJHZNBPID-QMMMGPOBSA-N -1 1 347.396 3.329 20 5 EGBDMM O=[N+]([O-])C[C@@H](Oc1cc(Cl)c([O-])cc1Cl)c1cccnc1 ZINC001227642327 1375458684 /nfs/dbraw/zinc/45/86/84/1375458684.db2.gz XOYCNAQNVXTWEI-CYBMUJFWSA-N -1 1 329.139 3.491 20 5 EGBDMM O=C(c1ccco1)[C@@H](Oc1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC001229396782 1375827817 /nfs/dbraw/zinc/82/78/17/1375827817.db2.gz YUNVVYCIGQPESM-INIZCTEOSA-N -1 1 329.264 3.489 20 5 EGBDMM Cc1cc([O-])c(O[C@@H](CC(C)C)C(=O)OC(C)C)cc1[N+](=O)[O-] ZINC001229751174 1375885775 /nfs/dbraw/zinc/88/57/75/1375885775.db2.gz RLXPHXSUKWRBOU-HNNXBMFYSA-N -1 1 325.361 3.354 20 5 EGBDMM Cc1cc([O-])c(O[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1[N+](=O)[O-] ZINC001229750176 1375886242 /nfs/dbraw/zinc/88/62/42/1375886242.db2.gz KZHZBHWUKMDLKV-CYBMUJFWSA-N -1 1 330.296 3.063 20 5 EGBDMM CCOc1cc(Oc2ccc(-c3nnn[n-]3)cc2C)ccc1[N+](=O)[O-] ZINC000825616139 1428923835 /nfs/dbraw/zinc/92/38/35/1428923835.db2.gz XSWDTUUBHJNKKG-UHFFFAOYSA-N -1 1 341.327 3.274 20 5 EGBDMM CN(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825965858 1423330260 /nfs/dbraw/zinc/33/02/60/1423330260.db2.gz GNIYWMZYWROUCV-UHFFFAOYSA-N -1 1 344.762 3.065 20 5 EGBDMM CCS[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825669406 1425773282 /nfs/dbraw/zinc/77/32/82/1425773282.db2.gz XJOAMXHYZVGBSQ-OCCSQVGLSA-N -1 1 348.432 3.251 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCC(C3CCCC3)CC2)c(-c2nnn[n-]2)c1 ZINC000823639982 1426758419 /nfs/dbraw/zinc/75/84/19/1426758419.db2.gz OHQWNPATILCMFI-UHFFFAOYSA-N -1 1 342.403 3.182 20 5 EGBDMM CCS[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821453430 1446332123 /nfs/dbraw/zinc/33/21/23/1446332123.db2.gz AFSKCWVZEFLGTO-UONOGXRCSA-N -1 1 348.432 3.251 20 5 EGBDMM O=[N+]([O-])c1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)cc1 ZINC000826498057 1446382563 /nfs/dbraw/zinc/38/25/63/1446382563.db2.gz FZQUGGRKKNEFFR-UHFFFAOYSA-N -1 1 345.359 3.347 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@H]2C[C@H]2C2CCCCC2)c(-c2nnn[n-]2)c1 ZINC000738368928 1446745815 /nfs/dbraw/zinc/74/58/15/1446745815.db2.gz FQSBWYWQBSWQER-WFASDCNBSA-N -1 1 328.376 3.156 20 5 EGBDMM CCN(Cc1cccc([N+](=O)[O-])c1Br)C(C)(C)C(=O)[O-] ZINC000233482742 960323066 /nfs/dbraw/zinc/32/30/66/960323066.db2.gz KWXFICYTUYFSEC-UHFFFAOYSA-N -1 1 345.193 3.042 20 5 EGBDMM CC[C@H](C)N(CC(=O)[O-])Cc1cc([N+](=O)[O-])ccc1Br ZINC001594979493 982770105 /nfs/dbraw/zinc/77/01/05/982770105.db2.gz SSUDFROPMHEOQV-VIFPVBQESA-N -1 1 345.193 3.042 20 5 EGBDMM C[C@H](C(=O)[O-])[C@H](NCc1ccc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC001589468612 986932813 /nfs/dbraw/zinc/93/28/13/986932813.db2.gz KNNRUYJJKQMREZ-ZBEGNZNMSA-N -1 1 332.331 3.286 20 5 EGBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001594169015 998652119 /nfs/dbraw/zinc/65/21/19/998652119.db2.gz YZEFQZRLDJWUDK-HZMBPMFUSA-N -1 1 347.396 3.013 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(Br)cc3)no2)[n-]1 ZINC000355410657 166189035 /nfs/dbraw/zinc/18/90/35/166189035.db2.gz PXQDFTLKWINSEA-UHFFFAOYSA-N -1 1 349.144 3.326 20 5 EGBDMM CC[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)[N@@H+](C)Cc1ccccc1 ZINC000355585004 166251054 /nfs/dbraw/zinc/25/10/54/166251054.db2.gz LEEYFPKBPOTARS-HNNXBMFYSA-N -1 1 343.383 3.150 20 5 EGBDMM CCSc1ccc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193548156 266042656 /nfs/dbraw/zinc/04/26/56/266042656.db2.gz ABGRSILTFCJICW-SNVBAGLBSA-N -1 1 347.396 3.298 20 5 EGBDMM O=C([O-])c1cccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000263474825 280072303 /nfs/dbraw/zinc/07/23/03/280072303.db2.gz MHASLRDURSOCCM-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM C[C@@H]1CN(Cc2ccccc2)CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338998197 288216607 /nfs/dbraw/zinc/21/66/07/288216607.db2.gz YAHYHZSSFJQLOA-OAHLLOKOSA-N -1 1 341.411 3.007 20 5 EGBDMM COc1ccc([O-])c(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000436901356 309780070 /nfs/dbraw/zinc/78/00/70/309780070.db2.gz GXXANECRMLUFEB-UHFFFAOYSA-N -1 1 327.296 3.334 20 5 EGBDMM COc1ccc(-c2nc(Cc3cccc([N+](=O)[O-])c3C)no2)c([O-])c1 ZINC000436941239 309782159 /nfs/dbraw/zinc/78/21/59/309782159.db2.gz BTXBIQUCCLFWCL-UHFFFAOYSA-N -1 1 341.323 3.258 20 5 EGBDMM Cc1c(Br)ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1F ZINC000447640824 309985035 /nfs/dbraw/zinc/98/50/35/309985035.db2.gz VHUIXVKVIKLSCC-UHFFFAOYSA-N -1 1 342.124 3.385 20 5 EGBDMM CCCCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000022742594 453698363 /nfs/dbraw/zinc/69/83/63/453698363.db2.gz XLNYABXMWGXDGS-UHFFFAOYSA-N -1 1 336.373 3.050 20 5 EGBDMM CSc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000032589123 453878299 /nfs/dbraw/zinc/87/82/99/453878299.db2.gz VUEKAKRWMALCJZ-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)cc1C ZINC000181327940 455318072 /nfs/dbraw/zinc/31/80/72/455318072.db2.gz PWAXHTRGORNZMG-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OC[C@H]2CCCO2)c1 ZINC000347708938 456318971 /nfs/dbraw/zinc/31/89/71/456318971.db2.gz PESRRLYSMOQRAU-GFCCVEGCSA-N -1 1 345.355 3.041 20 5 EGBDMM O=C(Nc1cccc(OCc2cccnc2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000343435737 456620578 /nfs/dbraw/zinc/62/05/78/456620578.db2.gz BNJCVTKSXPCYII-UHFFFAOYSA-N -1 1 338.323 3.149 20 5 EGBDMM CC(C)[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000344982152 456886082 /nfs/dbraw/zinc/88/60/82/456886082.db2.gz OYXCQTRBIAFODH-GJZGRUSLSA-N -1 1 341.367 3.310 20 5 EGBDMM Cc1coc(-c2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc2C)n1 ZINC000358327333 457935481 /nfs/dbraw/zinc/93/54/81/457935481.db2.gz UCJYBOSYYWBPDP-UHFFFAOYSA-N -1 1 326.312 3.447 20 5 EGBDMM Cc1c(Cc2nc(-c3ccc([O-])cc3F)no2)cccc1[N+](=O)[O-] ZINC000445459854 458053118 /nfs/dbraw/zinc/05/31/18/458053118.db2.gz INYRPAHYRUHMLK-UHFFFAOYSA-N -1 1 329.287 3.389 20 5 EGBDMM O=[N+]([O-])c1ccccc1NCCc1noc(-c2ccc([O-])cc2F)n1 ZINC000436689597 458361038 /nfs/dbraw/zinc/36/10/38/458361038.db2.gz OQJDKFZUYWKBMA-UHFFFAOYSA-N -1 1 344.302 3.144 20 5 EGBDMM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C(=O)OC(C)(C)C ZINC000534216472 459299571 /nfs/dbraw/zinc/29/95/71/459299571.db2.gz PMWCXIHJGNAAGV-UHFFFAOYSA-N -1 1 345.355 3.439 20 5 EGBDMM COc1ccc(Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1[N+](=O)[O-] ZINC000582898812 459448565 /nfs/dbraw/zinc/44/85/65/459448565.db2.gz UOBYMKPHXRRXPH-UHFFFAOYSA-N -1 1 345.286 3.089 20 5 EGBDMM CC(C)(C)OC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000584174759 459673320 /nfs/dbraw/zinc/67/33/20/459673320.db2.gz VITOJDMOPZYEDE-UHFFFAOYSA-N -1 1 331.328 3.131 20 5 EGBDMM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCC1 ZINC000609419542 459961193 /nfs/dbraw/zinc/96/11/93/459961193.db2.gz QAYWHQNXFLLCFU-UHFFFAOYSA-N -1 1 332.809 3.107 20 5 EGBDMM O=C([O-])C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593744853 459972617 /nfs/dbraw/zinc/97/26/17/459972617.db2.gz LNGNDJKJKBSYEH-NSHDSACASA-N -1 1 346.305 3.443 20 5 EGBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1c(C)[n-][nH]c1=O ZINC000597692051 460030010 /nfs/dbraw/zinc/03/00/10/460030010.db2.gz JYLCXDBEWMGSFE-UHFFFAOYSA-N -1 1 336.373 3.086 20 5 EGBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1csc2ccccc21 ZINC000730034765 574909257 /nfs/dbraw/zinc/90/92/57/574909257.db2.gz FIQHCLPQIZAKQA-SECBINFHSA-N -1 1 343.364 3.401 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)cc([N+](=O)[O-])c2)c1 ZINC000744871546 576836064 /nfs/dbraw/zinc/83/60/64/576836064.db2.gz VEZWBLCXAWHZSO-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM O=C(OCc1cc(-c2ccccc2)on1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049752 1303036341 /nfs/dbraw/zinc/03/63/41/1303036341.db2.gz VTOYQZCOBPDUDH-UHFFFAOYSA-N -1 1 340.291 3.312 20 5 EGBDMM O=C(OCCOc1ccccc1Cl)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074606 1304635003 /nfs/dbraw/zinc/63/50/03/1304635003.db2.gz GPNIHCHBKUNXOH-UHFFFAOYSA-N -1 1 337.715 3.190 20 5 EGBDMM COc1ccccc1CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077423 1304635376 /nfs/dbraw/zinc/63/53/76/1304635376.db2.gz YJSJVURWCMSEMV-UHFFFAOYSA-N -1 1 331.324 3.099 20 5 EGBDMM CC(C)(C)Oc1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000780077191 1304635690 /nfs/dbraw/zinc/63/56/90/1304635690.db2.gz VFKMWOZRDSXFLF-UHFFFAOYSA-N -1 1 346.339 3.230 20 5 EGBDMM C[C@@H](CCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1)OCc1ccccc1 ZINC000789070625 1306082053 /nfs/dbraw/zinc/08/20/53/1306082053.db2.gz IZYJUSXPLFZWLV-ZDUSSCGKSA-N -1 1 345.351 3.453 20 5 EGBDMM CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814998676 1318864293 /nfs/dbraw/zinc/86/42/93/1318864293.db2.gz SVXKUDZDPPRSSE-YUMQZZPRSA-N -1 1 338.788 3.100 20 5 EGBDMM O=[N+]([O-])c1ccc(N2CCN(Cc3cccc([O-])c3Cl)CC2)cc1 ZINC000816481336 1319162668 /nfs/dbraw/zinc/16/26/68/1319162668.db2.gz RCLWTTKTTBTDCZ-UHFFFAOYSA-N -1 1 347.802 3.276 20 5 EGBDMM O=C([N-]c1nnc(C(F)F)s1)c1cccc([N+](=O)[O-])c1Cl ZINC000816902733 1319243133 /nfs/dbraw/zinc/24/31/33/1319243133.db2.gz COTOBXIWVLXDFV-UHFFFAOYSA-N -1 1 334.691 3.290 20 5 EGBDMM C[C@H](CC(F)(F)F)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848588468 1321979556 /nfs/dbraw/zinc/97/95/56/1321979556.db2.gz STOFLGWOXKPONF-SSDOTTSWSA-N -1 1 342.220 3.024 20 5 EGBDMM C[C@@H](CC(F)(F)F)[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848588469 1321979749 /nfs/dbraw/zinc/97/97/49/1321979749.db2.gz STOFLGWOXKPONF-ZETCQYMHSA-N -1 1 342.220 3.024 20 5 EGBDMM C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000928381450 1328298383 /nfs/dbraw/zinc/29/83/83/1328298383.db2.gz CPYWSJKWKVDOHC-WFASDCNBSA-N -1 1 341.367 3.104 20 5 EGBDMM Nc1cc2nc3ccccc3nc2cc1NC(=O)c1ccc([O-])c(F)c1 ZINC001186225457 1387900627 /nfs/dbraw/zinc/90/06/27/1387900627.db2.gz FUQOYCIRZLZHEP-UHFFFAOYSA-N -1 1 348.337 3.462 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2nc(Cl)cnc2Br)ccc1[O-] ZINC001210392764 1372340897 /nfs/dbraw/zinc/34/08/97/1372340897.db2.gz MYMZOHXAIBZLOD-UHFFFAOYSA-N -1 1 345.540 3.250 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc3c(C4CCC4)cnn3c2)ccc1[O-] ZINC001210396613 1372342163 /nfs/dbraw/zinc/34/21/63/1372342163.db2.gz VLRYOTIVEIHZHQ-UHFFFAOYSA-N -1 1 325.328 3.354 20 5 EGBDMM COC(=O)c1sc2nccnc2c1[N-]c1ccc(F)cc1[N+](=O)[O-] ZINC001210951496 1372459498 /nfs/dbraw/zinc/45/94/98/1372459498.db2.gz HZGBFGFHBUFWFX-UHFFFAOYSA-N -1 1 348.315 3.269 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1OC1[C@H](C)CCC[C@H]1C ZINC001226308985 1375236801 /nfs/dbraw/zinc/23/68/01/1375236801.db2.gz AYXMBHRFPWWCGF-NXEZZACHSA-N -1 1 338.360 3.076 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000823630114 1428692188 /nfs/dbraw/zinc/69/21/88/1428692188.db2.gz SBZHOVFOWWDTFL-DMDPSCGWSA-N -1 1 328.376 3.156 20 5 EGBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1csc2ccccc12 ZINC000826497784 1442108950 /nfs/dbraw/zinc/10/89/50/1442108950.db2.gz UNLKXWCJEMWDIU-UHFFFAOYSA-N -1 1 339.340 3.128 20 5 EGBDMM Cc1cccc([C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000737390770 1443858345 /nfs/dbraw/zinc/85/83/45/1443858345.db2.gz VGNMCYOTOUHPEO-GFCCVEGCSA-N -1 1 338.371 3.299 20 5 EGBDMM Cc1ccccc1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000193558593 240212752 /nfs/dbraw/zinc/21/27/52/240212752.db2.gz ZYLKZJRFDGONRN-UHFFFAOYSA-N -1 1 341.367 3.024 20 5 EGBDMM Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000007403939 210794428 /nfs/dbraw/zinc/79/44/28/210794428.db2.gz ODVMPDXQZKGCNZ-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM O=C(Nc1ccc(Cl)c(OC(F)F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000356848333 141353735 /nfs/dbraw/zinc/35/37/35/141353735.db2.gz LYCWYJXIFTWTGN-UHFFFAOYSA-N -1 1 331.662 3.430 20 5 EGBDMM COc1ccc(CSc2nc(-c3ccccn3)n[nH]2)cc1[N+](=O)[O-] ZINC000117115042 152086240 /nfs/dbraw/zinc/08/62/40/152086240.db2.gz JUSZNACGVULAKJ-UHFFFAOYSA-N -1 1 343.368 3.076 20 5 EGBDMM CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000351936080 165155878 /nfs/dbraw/zinc/15/58/78/165155878.db2.gz ONHNVVXZNVPZRD-UHFFFAOYSA-N -1 1 336.735 3.177 20 5 EGBDMM CCC(=O)c1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000135390557 307701937 /nfs/dbraw/zinc/70/19/37/307701937.db2.gz JFEYYCOXIRHYHN-UHFFFAOYSA-N -1 1 348.380 3.297 20 5 EGBDMM O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298928134 308649485 /nfs/dbraw/zinc/64/94/85/308649485.db2.gz DAKLWOAQPDTVJO-UHFFFAOYSA-N -1 1 336.298 3.054 20 5 EGBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1Cl ZINC000445009378 309934631 /nfs/dbraw/zinc/93/46/31/309934631.db2.gz RMIBXIVYCOOOTR-AWEZNQCLSA-N -1 1 349.774 3.476 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)CCC2CCCC2)c2cccnc21 ZINC000451005984 310155058 /nfs/dbraw/zinc/15/50/58/310155058.db2.gz YFAZGJVHPRWSSN-UHFFFAOYSA-N -1 1 349.412 3.465 20 5 EGBDMM O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490153115 311134508 /nfs/dbraw/zinc/13/45/08/311134508.db2.gz RBHIOFRBTAIZFI-DZGCQCFKSA-N -1 1 341.367 3.152 20 5 EGBDMM CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000521916347 312565705 /nfs/dbraw/zinc/56/57/05/312565705.db2.gz UXHTZFJJZKCSLV-UHFFFAOYSA-N -1 1 346.836 3.353 20 5 EGBDMM Cc1c([N-]S(=O)(=O)c2cccc(Cl)c2)cccc1[N+](=O)[O-] ZINC000119678920 454213441 /nfs/dbraw/zinc/21/34/41/454213441.db2.gz RGQSNSKYHHDEMH-UHFFFAOYSA-N -1 1 326.761 3.357 20 5 EGBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000078677264 454297678 /nfs/dbraw/zinc/29/76/78/454297678.db2.gz ZBEOEFOYTBOLGK-UHFFFAOYSA-N -1 1 331.353 3.185 20 5 EGBDMM CCn1c(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n[n-]c1=S ZINC000091483117 454441387 /nfs/dbraw/zinc/44/13/87/454441387.db2.gz JUJDEFPTESNYKR-UHFFFAOYSA-N -1 1 333.417 3.253 20 5 EGBDMM Cc1ccc(-c2n[nH]c(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2C)o1 ZINC000161414434 455567725 /nfs/dbraw/zinc/56/77/25/455567725.db2.gz IPIIDJGMCHQGBQ-UHFFFAOYSA-N -1 1 342.311 3.153 20 5 EGBDMM O=C(Nc1c(-c2ccco2)nc2ccccn21)c1ccc([N+](=O)[O-])[n-]1 ZINC000356500393 457024023 /nfs/dbraw/zinc/02/40/23/457024023.db2.gz WYPLZRQWFJKVGH-UHFFFAOYSA-N -1 1 337.295 3.083 20 5 EGBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)c1ccc(F)cc1 ZINC000445000801 458005189 /nfs/dbraw/zinc/00/51/89/458005189.db2.gz PCMOFTMUQRRWKJ-JTQLQIEISA-N -1 1 333.319 3.058 20 5 EGBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000445482198 458055599 /nfs/dbraw/zinc/05/55/99/458055599.db2.gz PGNOFCUPJASCIV-UHFFFAOYSA-N -1 1 331.259 3.069 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CSc1nc(Cc2ccccc2)n[nH]1 ZINC000436474439 458308742 /nfs/dbraw/zinc/30/87/42/458308742.db2.gz HLDPULUUWDOOEV-UHFFFAOYSA-N -1 1 342.380 3.302 20 5 EGBDMM CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000462723451 458647659 /nfs/dbraw/zinc/64/76/59/458647659.db2.gz ZWKCHMXRIKOSEX-ZJUUUORDSA-N -1 1 334.825 3.351 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000613523224 460981237 /nfs/dbraw/zinc/98/12/37/460981237.db2.gz DJZSGWVKCSALTC-UHFFFAOYSA-N -1 1 330.315 3.244 20 5 EGBDMM C[C@H](Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)c1cccs1 ZINC000736190962 575910365 /nfs/dbraw/zinc/91/03/65/575910365.db2.gz GEHBMLPVXLMYOI-ZETCQYMHSA-N -1 1 334.386 3.085 20 5 EGBDMM CC[C@](NCc1cc([N+](=O)[O-])ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915009 576059321 /nfs/dbraw/zinc/05/93/21/576059321.db2.gz AXORLIXFJXUHMN-GOSISDBHSA-N -1 1 344.367 3.083 20 5 EGBDMM CC[C@@](NCc1ccc([N+](=O)[O-])cc1F)(C(=O)[O-])c1ccccc1 ZINC000828988776 601353213 /nfs/dbraw/zinc/35/32/13/601353213.db2.gz DHRDHSVHMMBXMV-KRWDZBQOSA-N -1 1 332.331 3.214 20 5 EGBDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1ccccc1 ZINC000826053395 601657544 /nfs/dbraw/zinc/65/75/44/601657544.db2.gz IVQOGOXTJWGZJJ-BDJLRTHQSA-N -1 1 332.331 3.286 20 5 EGBDMM COc1ccc(OC(=O)c2cc(-c3ccc(C)o3)n[nH]2)c([N+](=O)[O-])c1 ZINC000193587663 1295889395 /nfs/dbraw/zinc/88/93/95/1295889395.db2.gz HLXZTAWAMREUHV-UHFFFAOYSA-N -1 1 343.295 3.114 20 5 EGBDMM Cc1[n-]n(-c2cc([N+](=O)[O-])ccc2Br)c(=O)c1C1CC1 ZINC000871958980 1296632058 /nfs/dbraw/zinc/63/20/58/1296632058.db2.gz IWBFOSWBIVJVOO-LBPRGKRZSA-N -1 1 338.161 3.106 20 5 EGBDMM O=C([N-]Cc1cc([N+](=O)[O-])ccc1Cl)C(F)(F)c1nccs1 ZINC000756717923 1300551679 /nfs/dbraw/zinc/55/16/79/1300551679.db2.gz KURUNHNQDSLTOG-UHFFFAOYSA-N -1 1 347.730 3.113 20 5 EGBDMM CCC(C)(C)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791417435 1308989297 /nfs/dbraw/zinc/98/92/97/1308989297.db2.gz CPDIZGIXSXSWOP-UHFFFAOYSA-N -1 1 341.216 3.369 20 5 EGBDMM Cc1ccsc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000811831759 1318275669 /nfs/dbraw/zinc/27/56/69/1318275669.db2.gz GSOVVUXCKUOCTJ-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cn3c(cccc3Br)n2)ccc1[O-] ZINC001210396187 1372341200 /nfs/dbraw/zinc/34/12/00/1372341200.db2.gz MCLHUIVVKUMRRJ-UHFFFAOYSA-N -1 1 349.144 3.454 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H](CC(C)C)C(C)C ZINC001226310686 1375237408 /nfs/dbraw/zinc/23/74/08/1375237408.db2.gz PYPGYWSPMKGYJO-LBPRGKRZSA-N -1 1 340.376 3.322 20 5 EGBDMM CCCC/C=C/[C@@H](C)Oc1c(C(=O)OCC)c[n-]c(=O)c1[N+](=O)[O-] ZINC001226311306 1375237575 /nfs/dbraw/zinc/23/75/75/1375237575.db2.gz VOOAMOGLUPHBGC-ANYFNZRUSA-N -1 1 338.360 3.386 20 5 EGBDMM COC(C)(C)C[C@@H](C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228858711 1375696269 /nfs/dbraw/zinc/69/62/69/1375696269.db2.gz GIRWJFYBLIAMDV-SSDOTTSWSA-N -1 1 338.282 3.297 20 5 EGBDMM C[C@H]1OCC[C@H]1COc1ccc2c(c1)oc1cc([O-])ccc1c2=O ZINC001229515761 1375849411 /nfs/dbraw/zinc/84/94/11/1375849411.db2.gz FRHOTHCVSPQWSA-NEPJUHHUSA-N -1 1 326.348 3.456 20 5 EGBDMM COCCCn1c2ccc(F)cc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251385494 1377085742 /nfs/dbraw/zinc/08/57/42/1377085742.db2.gz CEJMJDIDYVGDAT-UHFFFAOYSA-N -1 1 345.330 3.493 20 5 EGBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824655310 1426529097 /nfs/dbraw/zinc/52/90/97/1426529097.db2.gz CBCHSBSYCOEOBF-MRVPVSSYSA-N -1 1 346.297 3.226 20 5 EGBDMM CCS[C@H]1CCCC[C@H]1Nc1ccc(-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000825668985 1441802367 /nfs/dbraw/zinc/80/23/67/1441802367.db2.gz NSFWQZRZDOHEDR-OCCSQVGLSA-N -1 1 348.432 3.251 20 5 EGBDMM C[C@@H]1CCCC[C@@H]1CCNc1cccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC001576167653 949617755 /nfs/dbraw/zinc/61/77/55/949617755.db2.gz DHCMOZBQOBDEHM-VXGBXAGGSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@@H]1CCCC[C@@H]1CCNc1cccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC001576167653 949617767 /nfs/dbraw/zinc/61/77/67/949617767.db2.gz DHCMOZBQOBDEHM-VXGBXAGGSA-N -1 1 330.392 3.403 20 5 EGBDMM C[C@H]1C[C@H](c2cccnc2)N(Cc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001594272264 999053059 /nfs/dbraw/zinc/05/30/59/999053059.db2.gz ONCUYJWXVWQAJD-YVEFUNNKSA-N -1 1 341.367 3.271 20 5 EGBDMM CCOc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000055652108 214336419 /nfs/dbraw/zinc/33/64/19/214336419.db2.gz YWDHUYLFUKJULS-UHFFFAOYSA-N -1 1 336.369 3.103 20 5 EGBDMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000265218470 247309740 /nfs/dbraw/zinc/30/97/40/247309740.db2.gz CSKKYGPIKUBKTD-XMMPIXPASA-N -1 1 349.412 3.222 20 5 EGBDMM Cc1nc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)oc1C ZINC000351832822 144313679 /nfs/dbraw/zinc/31/36/79/144313679.db2.gz NRKGYPCMELYTBK-UHFFFAOYSA-N -1 1 326.312 3.447 20 5 EGBDMM Cc1onc(-c2ccccn2)c1C(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000119522905 152210733 /nfs/dbraw/zinc/21/07/33/152210733.db2.gz YALUKPDFWBVUMM-UHFFFAOYSA-N -1 1 342.286 3.345 20 5 EGBDMM O=C([N-]c1ccc([N+](=O)[O-])cc1F)c1ncsc1C(F)(F)F ZINC000338524775 163258562 /nfs/dbraw/zinc/25/85/62/163258562.db2.gz RYFWCWRSUYHLPV-UHFFFAOYSA-N -1 1 335.238 3.462 20 5 EGBDMM C[C@H](CCC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000346012658 164317756 /nfs/dbraw/zinc/31/77/56/164317756.db2.gz YFVUKVDUFLRVFX-SECBINFHSA-N -1 1 332.809 3.105 20 5 EGBDMM O=[N+]([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000355843601 166325693 /nfs/dbraw/zinc/32/56/93/166325693.db2.gz MRDUTRXYNAKOBU-UHFFFAOYSA-N -1 1 336.344 3.023 20 5 EGBDMM C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000342778895 287712522 /nfs/dbraw/zinc/71/25/22/287712522.db2.gz KOCTTXDMTATMFE-DOMZBBRYSA-N -1 1 341.367 3.309 20 5 EGBDMM CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000345688439 276150975 /nfs/dbraw/zinc/15/09/75/276150975.db2.gz HSUQIMLAAMZFKW-UHFFFAOYSA-N -1 1 348.380 3.109 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C ZINC000060436822 307351015 /nfs/dbraw/zinc/35/10/15/307351015.db2.gz GCRVOMYUBUSXPR-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)C3=CCCCC3)n[nH]2)c1 ZINC000296005687 308384128 /nfs/dbraw/zinc/38/41/28/308384128.db2.gz QENLRDHDMCERIB-UHFFFAOYSA-N -1 1 348.384 3.185 20 5 EGBDMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC=CCC1 ZINC000416560749 309173593 /nfs/dbraw/zinc/17/35/93/309173593.db2.gz RHCZSLMJFUIKAJ-CYBMUJFWSA-N -1 1 330.793 3.025 20 5 EGBDMM COc1ccc(CCCN(C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000510467633 312141381 /nfs/dbraw/zinc/14/13/81/312141381.db2.gz PIKLDEHVVNUGTK-UHFFFAOYSA-N -1 1 330.384 3.374 20 5 EGBDMM CC(=O)c1cccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)c1[O-] ZINC000552287184 315211046 /nfs/dbraw/zinc/21/10/46/315211046.db2.gz KJUFRUDBCSQCAP-UHFFFAOYSA-N -1 1 339.307 3.237 20 5 EGBDMM CNc1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000565284256 316302497 /nfs/dbraw/zinc/30/24/97/316302497.db2.gz VXPJMTNYBKTTBI-UHFFFAOYSA-N -1 1 330.275 3.198 20 5 EGBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[nH]n1 ZINC000159863144 455410280 /nfs/dbraw/zinc/41/02/80/455410280.db2.gz LJFJPGHCKZSJHW-JTQLQIEISA-N -1 1 338.389 3.022 20 5 EGBDMM O=C([O-])c1ccc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000263572838 456172497 /nfs/dbraw/zinc/17/24/97/456172497.db2.gz LMOQRVCUTHORDL-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM O=C(Nc1ccc(F)cc1[O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000340332783 456394592 /nfs/dbraw/zinc/39/45/92/456394592.db2.gz JHYXAVUJQXPYNJ-UHFFFAOYSA-N -1 1 331.303 3.266 20 5 EGBDMM CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])c([O-])c1 ZINC000340592617 456553378 /nfs/dbraw/zinc/55/33/78/456553378.db2.gz HLMJLMVZHWNEGD-UHFFFAOYSA-N -1 1 344.323 3.038 20 5 EGBDMM O=[N+]([O-])c1ccc(OCc2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000445458931 458052291 /nfs/dbraw/zinc/05/22/91/458052291.db2.gz WAOYIBOOIHBOMQ-UHFFFAOYSA-N -1 1 331.259 3.069 20 5 EGBDMM COc1cc2[nH]c(-c3cc(OC)c([O-])c([N+](=O)[O-])c3)nc2cc1C ZINC000446155853 458159012 /nfs/dbraw/zinc/15/90/12/458159012.db2.gz JMUGLNWYPDNNHA-UHFFFAOYSA-N -1 1 329.312 3.169 20 5 EGBDMM Cc1cc(OCc2nc(-c3ccc([O-])cc3F)no2)ccc1[N+](=O)[O-] ZINC000436874449 458397126 /nfs/dbraw/zinc/39/71/26/458397126.db2.gz QOKRNBMRQSDRNC-UHFFFAOYSA-N -1 1 345.286 3.377 20 5 EGBDMM O=C([O-])CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CCC1 ZINC000594539707 459084709 /nfs/dbraw/zinc/08/47/09/459084709.db2.gz FJHDGJAXPDSZTP-UHFFFAOYSA-N -1 1 330.340 3.294 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000590597618 459158583 /nfs/dbraw/zinc/15/85/83/459158583.db2.gz MDHGUDAOULERIG-UHFFFAOYSA-N -1 1 342.760 3.063 20 5 EGBDMM COC(=O)c1ccnc([N-]c2cnn(C3CCCC3)c2C)c1[N+](=O)[O-] ZINC000598620287 459967556 /nfs/dbraw/zinc/96/75/56/459967556.db2.gz AMCDINUBDNARQN-UHFFFAOYSA-N -1 1 345.359 3.140 20 5 EGBDMM C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735083963 575600893 /nfs/dbraw/zinc/60/08/93/575600893.db2.gz YXWJZPUWYXNJMY-UWVGGRQHSA-N -1 1 346.836 3.351 20 5 EGBDMM C[C@@H](CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC000827454834 601305214 /nfs/dbraw/zinc/30/52/14/601305214.db2.gz GYKUKRHNRCMOGW-ZDUSSCGKSA-N -1 1 346.358 3.457 20 5 EGBDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1 ZINC000064467847 1292059058 /nfs/dbraw/zinc/05/90/58/1292059058.db2.gz BSWNBMLSZKHZIK-UHFFFAOYSA-N -1 1 342.373 3.257 20 5 EGBDMM O=C([N-]c1nnc(C(F)F)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000067524256 1292161830 /nfs/dbraw/zinc/16/18/30/1292161830.db2.gz UXDIKWHWGCRRCD-UHFFFAOYSA-N -1 1 334.691 3.290 20 5 EGBDMM CC(C)=CCC[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000831975928 1292941453 /nfs/dbraw/zinc/94/14/53/1292941453.db2.gz JXQGGWBYFVVMPE-LLVKDONJSA-N -1 1 330.381 3.147 20 5 EGBDMM Cc1ccc(F)c([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000134095157 1293762968 /nfs/dbraw/zinc/76/29/68/1293762968.db2.gz VOCDCXPMARAJMP-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])c1Cl ZINC000174052181 1294478099 /nfs/dbraw/zinc/47/80/99/1294478099.db2.gz JDOKICUXIDARPK-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1F ZINC000788277578 1305913599 /nfs/dbraw/zinc/91/35/99/1305913599.db2.gz IBVIVQFDXGTXAR-UHFFFAOYSA-N -1 1 348.315 3.406 20 5 EGBDMM CC(C)(C(=O)Nc1nc(Cl)ccc1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000790047890 1306252306 /nfs/dbraw/zinc/25/23/06/1306252306.db2.gz LGEZOEQVIYKXJX-UHFFFAOYSA-N -1 1 335.747 3.265 20 5 EGBDMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(C(F)F)cc2)ccc1F ZINC000808069504 1317620256 /nfs/dbraw/zinc/62/02/56/1317620256.db2.gz YQIQGVGMEBVDNU-UHFFFAOYSA-N -1 1 346.286 3.472 20 5 EGBDMM CC(C)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000809384970 1317808246 /nfs/dbraw/zinc/80/82/46/1317808246.db2.gz LCVAFKYQRHDJOV-UHFFFAOYSA-N -1 1 341.216 3.226 20 5 EGBDMM COC(=O)c1c(Nc2ccc([O-])c([N+](=O)[O-])c2)sc2c1CCC2 ZINC001210393410 1372341370 /nfs/dbraw/zinc/34/13/70/1372341370.db2.gz SWGMEIVFELUFHS-UHFFFAOYSA-N -1 1 334.353 3.381 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ncc(Br)cc2[O-])ccc1F ZINC001211189607 1372496641 /nfs/dbraw/zinc/49/66/41/1372496641.db2.gz ZXUJLTMQZNBVOG-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCCC(C)(C)C1 ZINC001226308970 1375236300 /nfs/dbraw/zinc/23/63/00/1375236300.db2.gz ARDIHELASJYCOU-SNVBAGLBSA-N -1 1 338.360 3.220 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001226311261 1375237112 /nfs/dbraw/zinc/23/71/12/1375237112.db2.gz UYIDHIYQHQDIID-JFGNBEQYSA-N -1 1 338.360 3.076 20 5 EGBDMM CC(=O)[C@@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227702173 1375463301 /nfs/dbraw/zinc/46/33/01/1375463301.db2.gz NUGIHSHKPJKVJQ-GFCCVEGCSA-N -1 1 343.335 3.196 20 5 EGBDMM O=C(OCc1ccccc1)[C@H]1C[C@@H](Oc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001229398767 1375828243 /nfs/dbraw/zinc/82/82/43/1375828243.db2.gz ACXIMZFZRYRBAG-OTVXOJSOSA-N -1 1 343.335 3.201 20 5 EGBDMM Cc1cc([O-])c(O[C@H](C)c2cc(Br)no2)cc1[N+](=O)[O-] ZINC001229754930 1375887586 /nfs/dbraw/zinc/88/75/86/1375887586.db2.gz UTSRSPTXCITYRS-SSDOTTSWSA-N -1 1 343.133 3.499 20 5 EGBDMM Cc1cncc([N+](=O)[O-])c1N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001346084412 1390906192 /nfs/dbraw/zinc/90/61/92/1390906192.db2.gz WSDVNEVEBVQRDG-UHFFFAOYSA-N -1 1 341.367 3.103 20 5 EGBDMM O=[N+]([O-])c1cc(CSc2cc(-c3nnn[n-]3)ccn2)ccc1Cl ZINC000823634966 1423702042 /nfs/dbraw/zinc/70/20/42/1423702042.db2.gz OZNRQQBADAHQEF-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM O=[N+]([O-])c1cc(NCc2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000823634694 1425167822 /nfs/dbraw/zinc/16/78/22/1425167822.db2.gz KCHJVXQECAHDST-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1cnc(Nc2cccc3ccsc32)c(-c2nn[n-]n2)c1 ZINC000826500710 1425239782 /nfs/dbraw/zinc/23/97/82/1425239782.db2.gz JGIFJWCMLYEUGD-UHFFFAOYSA-N -1 1 339.340 3.128 20 5 EGBDMM CC(C)(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819957778 1425432467 /nfs/dbraw/zinc/43/24/67/1425432467.db2.gz DMJJWVSWFZUBTJ-UHFFFAOYSA-N -1 1 339.359 3.211 20 5 EGBDMM Cc1ccc([C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000822228876 1441696087 /nfs/dbraw/zinc/69/60/87/1441696087.db2.gz HQKPZJCBZHTSFL-SNVBAGLBSA-N -1 1 342.334 3.396 20 5 EGBDMM O=C([O-])[C@@H](NCc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001594844065 954114940 /nfs/dbraw/zinc/11/49/40/954114940.db2.gz VHZSZTHXSROJOS-AWEZNQCLSA-N -1 1 338.722 3.303 20 5 EGBDMM O=C([O-])CC[C@H]1CCCCN1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000818329194 969186680 /nfs/dbraw/zinc/18/66/80/969186680.db2.gz QMJZPDHRQAJZPD-GFCCVEGCSA-N -1 1 326.780 3.468 20 5 EGBDMM C[C@@H](N[C@@H](C)c1ccccc1OCC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC001593353972 994986332 /nfs/dbraw/zinc/98/63/32/994986332.db2.gz HGMLWPVJVDGUIV-OLZOCXBDSA-N -1 1 344.367 3.470 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000037975696 213179108 /nfs/dbraw/zinc/17/91/08/213179108.db2.gz FIXKEWBODKOZJG-UHFFFAOYSA-N -1 1 330.724 3.188 20 5 EGBDMM C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187552299 533371429 /nfs/dbraw/zinc/37/14/29/533371429.db2.gz BEIUTNGORXOHFV-LBPRGKRZSA-N -1 1 341.367 3.136 20 5 EGBDMM O=[N+]([O-])c1cccc(F)c1CSc1nc(-c2ccccn2)n[nH]1 ZINC000117113272 152085301 /nfs/dbraw/zinc/08/53/01/152085301.db2.gz IKVOUMXLTFFBIN-UHFFFAOYSA-N -1 1 331.332 3.206 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1 ZINC000190423715 153140191 /nfs/dbraw/zinc/14/01/91/153140191.db2.gz AITJIBAGJKDUMQ-UHFFFAOYSA-N -1 1 344.751 3.329 20 5 EGBDMM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000343017570 155615542 /nfs/dbraw/zinc/61/55/42/155615542.db2.gz SYUZQPQCFSFJLQ-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM O=C(Nc1ncc(-c2ccccc2F)s1)c1ccc([N+](=O)[O-])[n-]1 ZINC000338710963 163327675 /nfs/dbraw/zinc/32/76/75/163327675.db2.gz ZARABPQWUCBIEQ-UHFFFAOYSA-N -1 1 332.316 3.438 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3csc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000354797089 166035132 /nfs/dbraw/zinc/03/51/32/166035132.db2.gz MPZHZTCLQRWORZ-UHFFFAOYSA-N -1 1 334.382 3.091 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3cc(C)cc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000354799503 166035611 /nfs/dbraw/zinc/03/56/11/166035611.db2.gz PFLOUQCDUKJEGZ-UHFFFAOYSA-N -1 1 342.380 3.337 20 5 EGBDMM Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000366013454 168071300 /nfs/dbraw/zinc/07/13/00/168071300.db2.gz XLQAFBCOHCBEPS-TZMCWYRMSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cc1 ZINC000366013453 168071996 /nfs/dbraw/zinc/07/19/96/168071996.db2.gz XLQAFBCOHCBEPS-OCCSQVGLSA-N -1 1 341.367 3.022 20 5 EGBDMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000303019807 278757569 /nfs/dbraw/zinc/75/75/69/278757569.db2.gz ZIUXUXPFKHJZFO-ZDUSSCGKSA-N -1 1 345.355 3.040 20 5 EGBDMM CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1[O-] ZINC000436632185 309765416 /nfs/dbraw/zinc/76/54/16/309765416.db2.gz VSLHJJIZVJEYCZ-UHFFFAOYSA-N -1 1 334.759 3.269 20 5 EGBDMM CC(C)c1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cnn1-c1ccccc1 ZINC000490342849 311139649 /nfs/dbraw/zinc/13/96/49/311139649.db2.gz KXGAEZNJBZOTAE-UHFFFAOYSA-N -1 1 339.355 3.484 20 5 EGBDMM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000518658312 312424332 /nfs/dbraw/zinc/42/43/32/312424332.db2.gz XDVRPDRTMKVCCG-GXSJLCMTSA-N -1 1 332.809 3.105 20 5 EGBDMM CC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000007323416 453059449 /nfs/dbraw/zinc/05/94/49/453059449.db2.gz YIPLXLSCLFNFOF-UHFFFAOYSA-N -1 1 348.380 3.215 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1[N+](=O)[O-] ZINC000179392109 455043963 /nfs/dbraw/zinc/04/39/63/455043963.db2.gz JNCGKFHZPOMKMG-LLVKDONJSA-N -1 1 348.380 3.027 20 5 EGBDMM CSc1nnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)s1 ZINC000189436144 455196021 /nfs/dbraw/zinc/19/60/21/455196021.db2.gz SVYLYBGVWZWEJI-UHFFFAOYSA-N -1 1 326.406 3.317 20 5 EGBDMM CCCc1[nH]nc(C(=O)Nc2cc(Cl)cc(C)c2[O-])c1[N+](=O)[O-] ZINC000175839002 455503814 /nfs/dbraw/zinc/50/38/14/455503814.db2.gz SZPBHFULOFGTTB-UHFFFAOYSA-N -1 1 338.751 3.190 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1[N+](=O)[O-] ZINC000191786909 455518781 /nfs/dbraw/zinc/51/87/81/455518781.db2.gz QWQIRLUYNKMDIO-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]c1nnc(C(C)(C)C)s1 ZINC000277673183 455630671 /nfs/dbraw/zinc/63/06/71/455630671.db2.gz XWODLRDDHKGLMB-UHFFFAOYSA-N -1 1 336.373 3.005 20 5 EGBDMM CN(Cc1cccc2ccccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000193038965 455737807 /nfs/dbraw/zinc/73/78/07/455737807.db2.gz UZVYLFOEKQIQQQ-UHFFFAOYSA-N -1 1 337.335 3.121 20 5 EGBDMM CCOC(=O)c1ccnc([N-]c2cnn([C@@H](C)C3CC3)c2)c1[N+](=O)[O-] ZINC000302390950 456339279 /nfs/dbraw/zinc/33/92/79/456339279.db2.gz IIDSOMCXONQZKL-JTQLQIEISA-N -1 1 345.359 3.078 20 5 EGBDMM O=C(Cc1c[nH]c2ccc([N+](=O)[O-])cc12)Nc1ccc(F)cc1[O-] ZINC000340329015 456389928 /nfs/dbraw/zinc/38/99/28/456389928.db2.gz DWJAAJZMKZXLKU-UHFFFAOYSA-N -1 1 329.287 3.102 20 5 EGBDMM CSc1cccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)c1 ZINC000337754677 456525370 /nfs/dbraw/zinc/52/53/70/456525370.db2.gz LAKYZZWHCNEEIN-UHFFFAOYSA-N -1 1 338.410 3.426 20 5 EGBDMM O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340584159 456547406 /nfs/dbraw/zinc/54/74/06/456547406.db2.gz XUSXHKRJPHUCRA-UHFFFAOYSA-N -1 1 340.295 3.021 20 5 EGBDMM O=C(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299158989 456623348 /nfs/dbraw/zinc/62/33/48/456623348.db2.gz XWKDTYXWMGMSRR-GFCCVEGCSA-N -1 1 345.355 3.123 20 5 EGBDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000339073150 456926615 /nfs/dbraw/zinc/92/66/15/456926615.db2.gz VRPFTYIWFAPBAS-CYBMUJFWSA-N -1 1 338.367 3.337 20 5 EGBDMM Cn1ccnc1Sc1ccccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000357609262 457620873 /nfs/dbraw/zinc/62/08/73/457620873.db2.gz IRRKDHYHZSYQAU-UHFFFAOYSA-N -1 1 343.368 3.060 20 5 EGBDMM CC(C)(C)Nc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)nc1 ZINC000357694527 457659535 /nfs/dbraw/zinc/65/95/35/457659535.db2.gz VETCPMPMUBFDFK-UHFFFAOYSA-N -1 1 328.332 3.245 20 5 EGBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1[O-] ZINC000436829766 458389070 /nfs/dbraw/zinc/38/90/70/458389070.db2.gz TVUZCCRQDXARDN-UHFFFAOYSA-N -1 1 334.759 3.269 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000377057874 458451805 /nfs/dbraw/zinc/45/18/05/458451805.db2.gz TWNIXKXJTUXDIE-HVHJFMEUSA-N -1 1 339.351 3.013 20 5 EGBDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000463442903 458700872 /nfs/dbraw/zinc/70/08/72/458700872.db2.gz WHNFFGNZVOCEKU-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)cc(C)c1F ZINC000475829752 458966813 /nfs/dbraw/zinc/96/68/13/458966813.db2.gz MIMDYZMWFAUYIZ-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CC(C)[C@@H]1N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCCCC2 ZINC000520748210 459090015 /nfs/dbraw/zinc/09/00/15/459090015.db2.gz YNKXJHNHZDKPSI-AWEZNQCLSA-N -1 1 333.388 3.126 20 5 EGBDMM CNc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000568087834 459225532 /nfs/dbraw/zinc/22/55/32/459225532.db2.gz XHJGTFKOAIPOMU-UHFFFAOYSA-N -1 1 347.396 3.315 20 5 EGBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@H]3CCCC[C@H]32)c1 ZINC000593738467 459969047 /nfs/dbraw/zinc/96/90/47/459969047.db2.gz SJCDYCKSIGARFG-CABCVRRESA-N -1 1 336.413 3.153 20 5 EGBDMM Cc1ccc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)nn1 ZINC000610200896 460079495 /nfs/dbraw/zinc/07/94/95/460079495.db2.gz AUNKZARVIHXAOH-UHFFFAOYSA-N -1 1 339.311 3.066 20 5 EGBDMM CC(C)C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610211859 460084232 /nfs/dbraw/zinc/08/42/32/460084232.db2.gz CDRAZTMZYVAWIV-CQSZACIVSA-N -1 1 349.412 3.056 20 5 EGBDMM O=C(Nc1cccnc1OCc1ccccc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604337371 460409430 /nfs/dbraw/zinc/40/94/30/460409430.db2.gz UQABPMJGMISBID-UHFFFAOYSA-N -1 1 338.323 3.149 20 5 EGBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000604432202 460426144 /nfs/dbraw/zinc/42/61/44/460426144.db2.gz WAHHGLUACDOMLB-UHFFFAOYSA-N -1 1 346.836 3.497 20 5 EGBDMM O=C(c1ccc([O-])c(F)c1)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000613509466 460975502 /nfs/dbraw/zinc/97/55/02/460975502.db2.gz CXMINOZIPNVTNM-INIZCTEOSA-N -1 1 348.355 3.327 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(C3(c4ccccc4)CCOCC3)no2)[n-]1 ZINC000347357226 518202977 /nfs/dbraw/zinc/20/29/77/518202977.db2.gz FPHQVETURQKBAA-UHFFFAOYSA-N -1 1 340.339 3.069 20 5 EGBDMM CC(C)=CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000831243596 1292831775 /nfs/dbraw/zinc/83/17/75/1292831775.db2.gz QOQMRIARSODGAA-UHFFFAOYSA-N -1 1 339.200 3.146 20 5 EGBDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000132368419 1293717035 /nfs/dbraw/zinc/71/70/35/1293717035.db2.gz NFTCVLHGVIDVJA-UHFFFAOYSA-N -1 1 342.323 3.291 20 5 EGBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc([O-])c(F)c1 ZINC000767290491 1302630513 /nfs/dbraw/zinc/63/05/13/1302630513.db2.gz IZNMEHXZAYPACM-UHFFFAOYSA-N -1 1 338.722 3.365 20 5 EGBDMM O=C([O-])CC1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000901419684 1317422904 /nfs/dbraw/zinc/42/29/04/1317422904.db2.gz VAXGLQCYNMNQPX-UHFFFAOYSA-N -1 1 346.305 3.300 20 5 EGBDMM CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814998673 1318864817 /nfs/dbraw/zinc/86/48/17/1318864817.db2.gz SVXKUDZDPPRSSE-HTQZYQBOSA-N -1 1 338.788 3.100 20 5 EGBDMM Cc1ccc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000848548947 1321974051 /nfs/dbraw/zinc/97/40/51/1321974051.db2.gz MUXFEJCRFYHRDT-UHFFFAOYSA-N -1 1 344.392 3.260 20 5 EGBDMM COc1ccc(Br)c(Nc2ccc([O-])c([N+](=O)[O-])c2)n1 ZINC001210394126 1372341210 /nfs/dbraw/zinc/34/12/10/1372341210.db2.gz OUCPJTFTGWPIKQ-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM O=[N+]([O-])c1cc(F)cc(Nc2ncc(Br)cc2[O-])c1 ZINC001216481068 1373309620 /nfs/dbraw/zinc/30/96/20/1373309620.db2.gz PSQGHPVHYJOQJN-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM O=c1c2ccc([O-])cc2oc2cc(O[C@@H]3CNCC(F)(F)C3)ccc12 ZINC001218273676 1373587000 /nfs/dbraw/zinc/58/70/00/1373587000.db2.gz APXLBQFVOIQQIX-LBPRGKRZSA-N -1 1 347.317 3.028 20 5 EGBDMM CCOC[C@@H](C)Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227306785 1375418375 /nfs/dbraw/zinc/41/83/75/1375418375.db2.gz NHQBBLAZHTZPPB-SNVBAGLBSA-N -1 1 330.336 3.161 20 5 EGBDMM COC[C@H](C)Oc1c([O-])cc(C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC001227700341 1375463617 /nfs/dbraw/zinc/46/36/17/1375463617.db2.gz PQPPBHHDIHAFGG-LBPRGKRZSA-N -1 1 345.351 3.254 20 5 EGBDMM Cc1cc([O-])c(O[C@@H](C)C(=O)OCc2ccccc2)cc1[N+](=O)[O-] ZINC001229754019 1375887778 /nfs/dbraw/zinc/88/77/78/1375887778.db2.gz KBRSYJXGRQNGGR-LBPRGKRZSA-N -1 1 331.324 3.120 20 5 EGBDMM COCCCn1c(-c2cc([O-])cc([N+](=O)[O-])c2)nc2cccc(F)c21 ZINC001251389215 1377085368 /nfs/dbraw/zinc/08/53/68/1377085368.db2.gz CILZCNKBQXIMGV-UHFFFAOYSA-N -1 1 345.330 3.493 20 5 EGBDMM CC[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)c1cccc([N+](=O)[O-])c1 ZINC000820926130 1429522079 /nfs/dbraw/zinc/52/20/79/1429522079.db2.gz PIBUABVTVKQBQO-CYBMUJFWSA-N -1 1 342.334 3.477 20 5 EGBDMM O=[N+]([O-])c1ccc(F)cc1CNc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823640159 1425036348 /nfs/dbraw/zinc/03/63/48/1425036348.db2.gz VUVKWXZVHHMSMZ-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM O=[N+]([O-])c1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(-c2nnn[n-]2)c1 ZINC000823640075 1441647751 /nfs/dbraw/zinc/64/77/51/1441647751.db2.gz RCQWFTGZBRMMHN-IJLUTSLNSA-N -1 1 328.376 3.156 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000193402955 240149807 /nfs/dbraw/zinc/14/98/07/240149807.db2.gz GJYWZAZHFUJIOF-UHFFFAOYSA-N -1 1 347.758 3.154 20 5 EGBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000186727758 144142415 /nfs/dbraw/zinc/14/24/15/144142415.db2.gz ALKWQEKDNBMEKT-NSHDSACASA-N -1 1 337.335 3.340 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ncccc2Cl)c1 ZINC000351699081 144291764 /nfs/dbraw/zinc/29/17/64/144291764.db2.gz XZVDYNKMSNRYSV-UHFFFAOYSA-N -1 1 341.776 3.061 20 5 EGBDMM O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000345280044 156031837 /nfs/dbraw/zinc/03/18/37/156031837.db2.gz OVPIJBNVMRFCBD-UHFFFAOYSA-N -1 1 328.353 3.223 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3ccc(OC(F)F)cc3)no2)[n-]1 ZINC000355581187 166250409 /nfs/dbraw/zinc/25/04/09/166250409.db2.gz UOYIMEGYBXSAKA-UHFFFAOYSA-N -1 1 336.254 3.165 20 5 EGBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)c1[N+](=O)[O-] ZINC000274424853 267234883 /nfs/dbraw/zinc/23/48/83/267234883.db2.gz ZEXNWFCNZBMPNQ-JTQLQIEISA-N -1 1 344.371 3.301 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(c2ccc(O)cc2)CC1 ZINC000338883531 280369012 /nfs/dbraw/zinc/36/90/12/280369012.db2.gz PWRNEECISBTYTO-UHFFFAOYSA-N -1 1 328.368 3.386 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc([N+](=O)[O-])c2C)cc1F ZINC000091054431 307462237 /nfs/dbraw/zinc/46/22/37/307462237.db2.gz HJZSXQNRNJVYMI-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM CSc1cc(O)ccc1[N-]C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000489097619 311092499 /nfs/dbraw/zinc/09/24/99/311092499.db2.gz FIJOTVRPPPUORK-UHFFFAOYSA-N -1 1 336.373 3.121 20 5 EGBDMM O=C(N[C@H]1CCC[C@H](c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000490153119 311134360 /nfs/dbraw/zinc/13/43/60/311134360.db2.gz RBHIOFRBTAIZFI-ZFWWWQNUSA-N -1 1 341.367 3.152 20 5 EGBDMM Cc1cc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc(C)c1F ZINC000535656151 314058779 /nfs/dbraw/zinc/05/87/79/314058779.db2.gz YBAYBBPDCATWIR-UHFFFAOYSA-N -1 1 338.360 3.460 20 5 EGBDMM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2)c1 ZINC000542736304 314572899 /nfs/dbraw/zinc/57/28/99/314572899.db2.gz XABDQLPGJILIME-UHFFFAOYSA-N -1 1 336.369 3.026 20 5 EGBDMM Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccc([O-])cc2Cl)no1 ZINC000350817091 324124594 /nfs/dbraw/zinc/12/45/94/324124594.db2.gz RCBULILTUGJXHA-UHFFFAOYSA-N -1 1 332.703 3.374 20 5 EGBDMM Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000579832532 325164653 /nfs/dbraw/zinc/16/46/53/325164653.db2.gz HLCRJSXVGJAIGB-UHFFFAOYSA-N -1 1 349.412 3.078 20 5 EGBDMM O=C(Nc1ccc(Br)c(F)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000088085600 454089561 /nfs/dbraw/zinc/08/95/61/454089561.db2.gz RPFJSPFWMZPGON-UHFFFAOYSA-N -1 1 328.097 3.077 20 5 EGBDMM CC(C)Cc1nnc([N-]C(=O)c2cc(F)c(F)cc2[N+](=O)[O-])s1 ZINC000119864733 454229947 /nfs/dbraw/zinc/22/99/47/454229947.db2.gz SEVVFGZDGJIFCY-UHFFFAOYSA-N -1 1 342.327 3.175 20 5 EGBDMM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1 ZINC000091010520 454360469 /nfs/dbraw/zinc/36/04/69/454360469.db2.gz WBAZJGVIVYOLJW-UHFFFAOYSA-N -1 1 336.369 3.183 20 5 EGBDMM Cc1sc(S(=O)(=O)[N-]c2ccccc2Cl)cc1[N+](=O)[O-] ZINC000163907813 454868702 /nfs/dbraw/zinc/86/87/02/454868702.db2.gz DTXLHQWTFAZQRA-UHFFFAOYSA-N -1 1 332.790 3.419 20 5 EGBDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ncccc2Cl)cc1[N+](=O)[O-] ZINC000191909001 455531096 /nfs/dbraw/zinc/53/10/96/455531096.db2.gz JTBXWWKVNFJXAQ-UHFFFAOYSA-N -1 1 341.776 3.061 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccoc1)C1CCCCC1 ZINC000185728740 455607692 /nfs/dbraw/zinc/60/76/92/455607692.db2.gz WMYIJIYNLSAPSV-UHFFFAOYSA-N -1 1 345.355 3.264 20 5 EGBDMM O=C(Nc1ccc(F)cc1[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000340327679 456389007 /nfs/dbraw/zinc/38/90/07/456389007.db2.gz JVBUKCKVCWUAPO-UHFFFAOYSA-N -1 1 345.330 3.292 20 5 EGBDMM CC(C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(Cl)cc1 ZINC000302953777 456439725 /nfs/dbraw/zinc/43/97/25/456439725.db2.gz KRPPBRDKMNZUCK-UHFFFAOYSA-N -1 1 349.774 3.056 20 5 EGBDMM CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c([O-])c1 ZINC000340596366 456557215 /nfs/dbraw/zinc/55/72/15/456557215.db2.gz SWCVBROFEAMTJQ-UHFFFAOYSA-N -1 1 344.323 3.038 20 5 EGBDMM Cc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[N+](=O)[O-] ZINC000339121584 456950344 /nfs/dbraw/zinc/95/03/44/456950344.db2.gz UZQBMIIHKHOZBS-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc([N+](=O)[O-])[n-]1 ZINC000356952851 457240598 /nfs/dbraw/zinc/24/05/98/457240598.db2.gz DZKBBENTYTVEHD-UHFFFAOYSA-N -1 1 332.316 3.438 20 5 EGBDMM CCOC(=O)c1ccnc([N-]c2cnn([C@@H](C)CC)c2C)c1[N+](=O)[O-] ZINC000357640658 457636007 /nfs/dbraw/zinc/63/60/07/457636007.db2.gz FYYIWZFMCASVQP-JTQLQIEISA-N -1 1 347.375 3.386 20 5 EGBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(Cl)s1 ZINC000445006346 458004903 /nfs/dbraw/zinc/00/49/03/458004903.db2.gz CCKUSYNPMJVLNP-QMMMGPOBSA-N -1 1 341.776 3.291 20 5 EGBDMM COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)ccc1[N+](=O)[O-] ZINC000445481232 458055702 /nfs/dbraw/zinc/05/57/02/458055702.db2.gz LYTLYJDFOYZESM-UHFFFAOYSA-N -1 1 331.259 3.165 20 5 EGBDMM Cc1ccc([O-])c(C(=O)c2cnn(-c3cccc([N+](=O)[O-])c3C)c2)c1 ZINC000524407711 459362680 /nfs/dbraw/zinc/36/26/80/459362680.db2.gz BWFBNKPHYYVZBJ-UHFFFAOYSA-N -1 1 337.335 3.334 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000574039396 459771452 /nfs/dbraw/zinc/77/14/52/459771452.db2.gz OTECGERLHBBYQN-QWHCGFSZSA-N -1 1 336.388 3.067 20 5 EGBDMM CN(CCCOc1ccccc1)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593735341 459967801 /nfs/dbraw/zinc/96/78/01/459967801.db2.gz VNAWQEPJKXELMU-UHFFFAOYSA-N -1 1 344.367 3.194 20 5 EGBDMM CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000610136383 460069811 /nfs/dbraw/zinc/06/98/11/460069811.db2.gz LFBMKBRUGXQKII-QWRGUYRKSA-N -1 1 346.836 3.495 20 5 EGBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc(C)ccc2[N+](=O)[O-])c1 ZINC000745390047 576847312 /nfs/dbraw/zinc/84/73/12/576847312.db2.gz UZAIBEDLUSMMDY-UHFFFAOYSA-N -1 1 343.335 3.211 20 5 EGBDMM COc1cc(/C=C/c2ncc(/C=C\C(=O)[O-])s2)cc([N+](=O)[O-])c1O ZINC000748441174 1299008299 /nfs/dbraw/zinc/00/82/99/1299008299.db2.gz JMXZTMQNFYZEOF-HZDAAVBUSA-N -1 1 348.336 3.034 20 5 EGBDMM CCC[C@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768797249 1302983258 /nfs/dbraw/zinc/98/32/58/1302983258.db2.gz ZKFOJVUQWHQVCP-ZDUSSCGKSA-N -1 1 340.426 3.476 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1csc2ccccc21 ZINC000770446480 1303270102 /nfs/dbraw/zinc/27/01/02/1303270102.db2.gz SORQPVXDDPYPSW-SECBINFHSA-N -1 1 343.364 3.401 20 5 EGBDMM O=C(OCc1cc(Cl)nc(Cl)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780077186 1304635612 /nfs/dbraw/zinc/63/56/12/1304635612.db2.gz VDVPCIDNWOGLMF-UHFFFAOYSA-N -1 1 343.122 3.359 20 5 EGBDMM COc1cccc(CCCOC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780075762 1304635931 /nfs/dbraw/zinc/63/59/31/1304635931.db2.gz MCHNMVOGPCFLFZ-UHFFFAOYSA-N -1 1 331.324 3.099 20 5 EGBDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000789738218 1306208016 /nfs/dbraw/zinc/20/80/16/1306208016.db2.gz TYYHYNPASPMNOF-UHFFFAOYSA-N -1 1 348.714 3.327 20 5 EGBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccsc1 ZINC000800951554 1310843256 /nfs/dbraw/zinc/84/32/56/1310843256.db2.gz KBXDHTQJWKMYLD-MRVPVSSYSA-N -1 1 346.817 3.349 20 5 EGBDMM O=C([O-])CCN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000901971733 1317503807 /nfs/dbraw/zinc/50/38/07/1317503807.db2.gz JMIJZQWOBNHLIP-UHFFFAOYSA-N -1 1 332.278 3.053 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2ccnc(F)c2Br)ccc1[O-] ZINC001210394575 1372340930 /nfs/dbraw/zinc/34/09/30/1372340930.db2.gz ZBUDRFGKIQHNFU-UHFFFAOYSA-N -1 1 328.097 3.341 20 5 EGBDMM COc1ncc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC001210392978 1372341000 /nfs/dbraw/zinc/34/10/00/1372341000.db2.gz QVPKKGKGDPPROO-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM O=[N+]([O-])c1cc(Nc2cnc3cc(C(F)(F)F)nn3c2)ccc1[O-] ZINC001210394204 1372341080 /nfs/dbraw/zinc/34/10/80/1372341080.db2.gz RNOVEPGPDXPJNJ-UHFFFAOYSA-N -1 1 339.233 3.106 20 5 EGBDMM Nc1ccc2nc(C(F)(F)F)n(-c3ccc([O-])c([N+](=O)[O-])c3)c2c1 ZINC001210400146 1372342725 /nfs/dbraw/zinc/34/27/25/1372342725.db2.gz CITKWUIRDWVLQI-UHFFFAOYSA-N -1 1 338.245 3.240 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2ccc(Cl)c(F)c2Cl)no1 ZINC001212892880 1372791588 /nfs/dbraw/zinc/79/15/88/1372791588.db2.gz ALIBZJJQBHVSDR-UHFFFAOYSA-N -1 1 344.089 3.481 20 5 EGBDMM CO[C@@H](C)CCOc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227305899 1375418426 /nfs/dbraw/zinc/41/84/26/1375418426.db2.gz BUJMAMCJDGZSQU-JTQLQIEISA-N -1 1 330.336 3.161 20 5 EGBDMM C[C@@H]1COCC[C@@H]1Oc1cc2c(=O)c3c(O)cccc3oc2cc1[O-] ZINC001227311268 1375419219 /nfs/dbraw/zinc/41/92/19/1375419219.db2.gz ZDDRCAKBLXOLSB-YGRLFVJLSA-N -1 1 342.347 3.161 20 5 EGBDMM O=[N+]([O-])c1ccccc1[C@H](Oc1cnnc(=S)[n-]1)c1ccccc1 ZINC001228636490 1375623874 /nfs/dbraw/zinc/62/38/74/1375623874.db2.gz NIPIKDFYVQVLEZ-OAHLLOKOSA-N -1 1 340.364 3.237 20 5 EGBDMM O=C(Cc1ccccc1)c1ccc([O-])cc1O[C@H](C[N+](=O)[O-])C1CC1 ZINC001229260643 1375796205 /nfs/dbraw/zinc/79/62/05/1375796205.db2.gz WJXVKFSOWBUKPY-LJQANCHMSA-N -1 1 341.363 3.252 20 5 EGBDMM COc1ccccc1OC[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1[O-] ZINC001229753426 1375887838 /nfs/dbraw/zinc/88/78/38/1375887838.db2.gz JEHQWOSMFCEGGO-LBPRGKRZSA-N -1 1 333.340 3.464 20 5 EGBDMM Cc1nc(Cl)nc([N-][C@@H](c2cccnc2)C(F)(F)F)c1[N+](=O)[O-] ZINC001156154511 1380532396 /nfs/dbraw/zinc/53/23/96/1380532396.db2.gz QVQFQIWUEPVHML-VIFPVBQESA-N -1 1 347.684 3.457 20 5 EGBDMM Cc1cc(-c2nnn[n-]2)cc(C)c1OCc1cccc([N+](=O)[O-])c1C ZINC000737222464 1429316132 /nfs/dbraw/zinc/31/61/32/1429316132.db2.gz ZSQLAANOLXXQII-UHFFFAOYSA-N -1 1 339.355 3.279 20 5 EGBDMM Cc1ccc([C@H](C)CNc2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000737321749 1429612530 /nfs/dbraw/zinc/61/25/30/1429612530.db2.gz WELMGAHRUHKDLG-GFCCVEGCSA-N -1 1 338.371 3.299 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(CSc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000738361722 1429762491 /nfs/dbraw/zinc/76/24/91/1429762491.db2.gz ZENAXJSXBLCMSZ-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM CSCc1cccc(Nc2ccc(-c3nnn[n-]3)cc2[N+](=O)[O-])c1 ZINC000737187316 1426637363 /nfs/dbraw/zinc/63/73/63/1426637363.db2.gz QCMANUYXTOVWGN-UHFFFAOYSA-N -1 1 342.384 3.382 20 5 EGBDMM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000823630117 1426996633 /nfs/dbraw/zinc/99/66/33/1426996633.db2.gz SBZHOVFOWWDTFL-NTZNESFSSA-N -1 1 328.376 3.156 20 5 EGBDMM O=[N+]([O-])c1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826498270 1427548270 /nfs/dbraw/zinc/54/82/70/1427548270.db2.gz NUAAYQPORWVYIF-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1[C@H](C)CC[C@H]1C ZINC000351764868 144303299 /nfs/dbraw/zinc/30/32/99/144303299.db2.gz ROVXSEYCPNXOBB-BBBLOLIVSA-N -1 1 341.795 3.154 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000112850739 162193367 /nfs/dbraw/zinc/19/33/67/162193367.db2.gz LNCIERVIJRIMBQ-UHFFFAOYSA-N -1 1 331.353 3.185 20 5 EGBDMM Cc1ccc(-c2cc(=NC(=O)c3cccc([N+](=O)[O-])c3)[nH][n-]2)s1 ZINC000354790210 166031756 /nfs/dbraw/zinc/03/17/56/166031756.db2.gz HMFVXFQKILYZQF-UHFFFAOYSA-N -1 1 328.353 3.029 20 5 EGBDMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344240802 164135081 /nfs/dbraw/zinc/13/50/81/164135081.db2.gz NJSFEUYSRMYSQU-UHFFFAOYSA-N -1 1 342.286 3.082 20 5 EGBDMM COc1ccc(Cl)cc1Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000355628115 166265269 /nfs/dbraw/zinc/26/52/69/166265269.db2.gz UOWKVDNRVUFDNC-UHFFFAOYSA-N -1 1 334.719 3.226 20 5 EGBDMM CC(C)(C)Oc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)nc1 ZINC000292963465 308084642 /nfs/dbraw/zinc/08/46/42/308084642.db2.gz IATAVCYWKDDRIA-UHFFFAOYSA-N -1 1 329.316 3.212 20 5 EGBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(C2CC2)cc1 ZINC000416286703 309167553 /nfs/dbraw/zinc/16/75/53/309167553.db2.gz BMLQNWDAVBWEKB-SNVBAGLBSA-N -1 1 327.340 3.064 20 5 EGBDMM Cc1ccnc(Oc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000440796496 309856523 /nfs/dbraw/zinc/85/65/23/309856523.db2.gz WKSYIGPWNAZUQP-UHFFFAOYSA-N -1 1 339.311 3.066 20 5 EGBDMM Cc1ccc(S(=O)(=O)[N-]C2(C(F)F)CCCCC2)c([N+](=O)[O-])c1 ZINC000508088483 312088045 /nfs/dbraw/zinc/08/80/45/312088045.db2.gz JWCYIQUKDQQKGK-UHFFFAOYSA-N -1 1 348.371 3.150 20 5 EGBDMM CCc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000555127872 315367857 /nfs/dbraw/zinc/36/78/57/315367857.db2.gz VJWFDIOVGSFEHX-UHFFFAOYSA-N -1 1 338.360 3.406 20 5 EGBDMM COc1ccc([N+](=O)[O-])cc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000572049603 317283475 /nfs/dbraw/zinc/28/34/75/317283475.db2.gz QLTCJTMBYFUJDA-UHFFFAOYSA-N -1 1 343.311 3.329 20 5 EGBDMM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1[N+](=O)[O-] ZINC000007052190 453024974 /nfs/dbraw/zinc/02/49/74/453024974.db2.gz ZKUGPJGOIFWNQE-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM Cc1cc2cc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000031721898 453852487 /nfs/dbraw/zinc/85/24/87/453852487.db2.gz GXYNLQZVNSDQBZ-UHFFFAOYSA-N -1 1 345.380 3.494 20 5 EGBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCc1ccccc1)[C@H]1CCOC1 ZINC000091902190 454487416 /nfs/dbraw/zinc/48/74/16/454487416.db2.gz PBQHJUZUTAJDLC-KRWDZBQOSA-N -1 1 342.395 3.134 20 5 EGBDMM COc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000170708339 454961801 /nfs/dbraw/zinc/96/18/01/454961801.db2.gz WOONUPWMABEDCU-UHFFFAOYSA-N -1 1 336.369 3.021 20 5 EGBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cccc2ncccc12 ZINC000183387058 455286281 /nfs/dbraw/zinc/28/62/81/455286281.db2.gz KQLVGHDYSWCTRG-UHFFFAOYSA-N -1 1 343.364 3.085 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000271287057 456207411 /nfs/dbraw/zinc/20/74/11/456207411.db2.gz DOSRSLXXSVFCFG-UHFFFAOYSA-N -1 1 348.380 3.029 20 5 EGBDMM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1ccc(F)cc1[O-] ZINC000340331013 456392976 /nfs/dbraw/zinc/39/29/76/456392976.db2.gz XUPGNOYTBJNNDI-UHFFFAOYSA-N -1 1 329.287 3.033 20 5 EGBDMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000500100308 459665056 /nfs/dbraw/zinc/66/50/56/459665056.db2.gz RZLGHORRFPDJFV-FOGDFJRCSA-N -1 1 346.836 3.351 20 5 EGBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](CC(=O)[O-])C1 ZINC000610896931 460258184 /nfs/dbraw/zinc/25/81/84/460258184.db2.gz DRYZGGCGXVCKOE-ZDUSSCGKSA-N -1 1 336.388 3.069 20 5 EGBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1cc(C)ccc1C ZINC000599480649 460260214 /nfs/dbraw/zinc/26/02/14/460260214.db2.gz IEVQIPLETIFJMI-CQSZACIVSA-N -1 1 349.412 3.036 20 5 EGBDMM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193634390 535770744 /nfs/dbraw/zinc/77/07/44/535770744.db2.gz YGGWUFVVVCHKHS-HNNXBMFYSA-N -1 1 343.383 3.097 20 5 EGBDMM C[C@H]1CCCC[C@@H]1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000734003744 575421238 /nfs/dbraw/zinc/42/12/38/575421238.db2.gz SYIAPVGUHSRMPL-NWDGAFQWSA-N -1 1 344.408 3.229 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1F ZINC000126179754 1293527316 /nfs/dbraw/zinc/52/73/16/1293527316.db2.gz HSZGSIWCBDKUTF-UHFFFAOYSA-N -1 1 346.286 3.121 20 5 EGBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccccc2Cl)c1F ZINC000754950508 1300251026 /nfs/dbraw/zinc/25/10/26/1300251026.db2.gz UARQYOMFJSYJSD-UHFFFAOYSA-N -1 1 344.751 3.497 20 5 EGBDMM O=C(O[C@@H]1CCCc2ccccc2C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075028 1304635674 /nfs/dbraw/zinc/63/56/74/1304635674.db2.gz IUPXWXIZAFEJDZ-MRXNPFEDSA-N -1 1 341.319 3.045 20 5 EGBDMM CC(C)CN(CC(=O)[O-])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000901591032 1317449818 /nfs/dbraw/zinc/44/98/18/1317449818.db2.gz XKKDWJSNMSYWJN-UHFFFAOYSA-N -1 1 332.356 3.397 20 5 EGBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCC1CCCCC1 ZINC000918194460 1319932629 /nfs/dbraw/zinc/93/26/29/1319932629.db2.gz XXKMEUAPPJKYBP-UHFFFAOYSA-N -1 1 344.408 3.373 20 5 EGBDMM COc1ncc(Nc2cccc(C(F)(F)F)c2[O-])cc1[N+](=O)[O-] ZINC001210140018 1372280522 /nfs/dbraw/zinc/28/05/22/1372280522.db2.gz HVEBFNBWGAQMAV-UHFFFAOYSA-N -1 1 329.234 3.466 20 5 EGBDMM C[C@@H]1CCc2c(sc(Nc3ccc([O-])c([N+](=O)[O-])c3)c2C(N)=O)C1 ZINC001210392353 1372340349 /nfs/dbraw/zinc/34/03/49/1372340349.db2.gz BPTNIIJHZNBPID-MRVPVSSYSA-N -1 1 347.396 3.329 20 5 EGBDMM O=[N+]([O-])c1nc[n-]c1-c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001212893215 1372791229 /nfs/dbraw/zinc/79/12/29/1372791229.db2.gz RUMBTDAIDHLEGX-UHFFFAOYSA-N -1 1 331.675 3.435 20 5 EGBDMM C[C@@H](c1ccccn1)N1CCC[C@@H](Oc2cccc([O-])c2[N+](=O)[O-])C1 ZINC001225626859 1375134631 /nfs/dbraw/zinc/13/46/31/1375134631.db2.gz WSVYVAKYRMAAMO-UONOGXRCSA-N -1 1 343.383 3.300 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC001226310030 1375237545 /nfs/dbraw/zinc/23/75/45/1375237545.db2.gz LFJBMVPEASLUBO-JFGNBEQYSA-N -1 1 338.360 3.076 20 5 EGBDMM CCOC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1O[C@H](C)c1ccc(C)cc1 ZINC001226310953 1375237647 /nfs/dbraw/zinc/23/76/47/1375237647.db2.gz SGJWSQPWEVUOKT-LLVKDONJSA-N -1 1 346.339 3.321 20 5 EGBDMM Cc1nc2ccc(F)cn2c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174503527 1385114715 /nfs/dbraw/zinc/11/47/15/1385114715.db2.gz DRLIHDXRACFGES-UHFFFAOYSA-N -1 1 330.275 3.132 20 5 EGBDMM Cc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2-c2nnn[n-]2)o1 ZINC000737330875 1423348144 /nfs/dbraw/zinc/34/81/44/1423348144.db2.gz KVRJHOUMMIXTQU-AWEZNQCLSA-N -1 1 340.343 3.018 20 5 EGBDMM Cc1ccc([N+](=O)[O-])cc1[C@H](C)Oc1ccc(-c2nnn[n-]2)cc1F ZINC000826293714 1423378811 /nfs/dbraw/zinc/37/88/11/1423378811.db2.gz ZDHDDCDLNHBVJQ-JTQLQIEISA-N -1 1 343.318 3.362 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1COc1ccccc1-c1nnn[n-]1 ZINC000823639682 1425177499 /nfs/dbraw/zinc/17/74/99/1425177499.db2.gz FPKDTQZQLGZCDJ-UHFFFAOYSA-N -1 1 331.719 3.007 20 5 EGBDMM CC(C)[C@H](C)CNc1cc(-c2nnn[n-]2)c2cc([N+](=O)[O-])ccc2n1 ZINC000820015207 1426675084 /nfs/dbraw/zinc/67/50/84/1426675084.db2.gz BIOHPXSFTWROBP-SNVBAGLBSA-N -1 1 341.375 3.027 20 5 EGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(-c2nn[n-]n2)cs1 ZINC000824770034 1427852276 /nfs/dbraw/zinc/85/22/76/1427852276.db2.gz CSJGUEZKNXNUGL-JTQLQIEISA-N -1 1 344.400 3.029 20 5 EGBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cc(-c2nnn[n-]2)cs1 ZINC000824770034 1427852280 /nfs/dbraw/zinc/85/22/80/1427852280.db2.gz CSJGUEZKNXNUGL-JTQLQIEISA-N -1 1 344.400 3.029 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)cc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000823640264 1442489763 /nfs/dbraw/zinc/48/97/63/1442489763.db2.gz ZJZVDVABFNBAML-UHFFFAOYSA-N -1 1 348.775 3.116 20 5 EGBDMM C[C@H](C1CCCCC1)N(C)c1cc(-c2nnn[n-]2)sc1[N+](=O)[O-] ZINC001574472411 949552881 /nfs/dbraw/zinc/55/28/81/949552881.db2.gz UMMOHLANNZFPBR-SECBINFHSA-N -1 1 336.421 3.241 20 5 EGBDMM C[C@H](C1CCCCC1)N(C)c1cc(-c2nn[n-]n2)sc1[N+](=O)[O-] ZINC001574472411 949552899 /nfs/dbraw/zinc/55/28/99/949552899.db2.gz UMMOHLANNZFPBR-SECBINFHSA-N -1 1 336.421 3.241 20 5 EGBDMM C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193632709 240242176 /nfs/dbraw/zinc/24/21/76/240242176.db2.gz YKLLFAVABDHUBK-QMTHXVAHSA-N -1 1 345.330 3.058 20 5 EGBDMM CCN(Cc1ccccc1Cl)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186891923 144146192 /nfs/dbraw/zinc/14/61/92/144146192.db2.gz BVCSJNCFJHJDLM-UHFFFAOYSA-N -1 1 335.747 3.011 20 5 EGBDMM CSc1cccc(C(=O)[N-]c2nnc(C(F)F)s2)c1[N+](=O)[O-] ZINC000186279786 153003474 /nfs/dbraw/zinc/00/34/74/153003474.db2.gz HOVXNGXRAFTDFV-UHFFFAOYSA-N -1 1 346.340 3.358 20 5 EGBDMM CCCn1nccc1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000337377313 154319534 /nfs/dbraw/zinc/31/95/34/154319534.db2.gz HGKQYGIRUNLDLI-UHFFFAOYSA-N -1 1 344.415 3.287 20 5 EGBDMM O=C(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000349119698 156359910 /nfs/dbraw/zinc/35/99/10/156359910.db2.gz GZLBMNORZBASEK-UHFFFAOYSA-N -1 1 348.322 3.114 20 5 EGBDMM O=[N+]([O-])c1ccc(-c2nc(Cc3coc(-c4cccs4)n3)no2)[n-]1 ZINC000355805236 166315485 /nfs/dbraw/zinc/31/54/85/166315485.db2.gz DERTUUBFOIDKED-UHFFFAOYSA-N -1 1 343.324 3.280 20 5 EGBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCCC[C@H]1c1ccccc1 ZINC000193654944 266051032 /nfs/dbraw/zinc/05/10/32/266051032.db2.gz FKSKWYLPUGYXEI-HNNXBMFYSA-N -1 1 341.367 3.453 20 5 EGBDMM CCCCc1nnc([N-]C(=O)c2cccc(OC)c2[N+](=O)[O-])s1 ZINC000193818837 266064661 /nfs/dbraw/zinc/06/46/61/266064661.db2.gz DJKSRJLIJBLKMR-UHFFFAOYSA-N -1 1 336.373 3.050 20 5 EGBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1CCc2ccccc21 ZINC000277772071 267864765 /nfs/dbraw/zinc/86/47/65/267864765.db2.gz SKGBCFBQULNQLZ-HNNXBMFYSA-N -1 1 341.367 3.235 20 5 EGBDMM O=C(c1cc(F)ccc1[O-])N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000091699592 275154385 /nfs/dbraw/zinc/15/43/85/275154385.db2.gz ANFOTBOBUAZZAC-UHFFFAOYSA-N -1 1 330.315 3.244 20 5 EGBDMM O=c1[n-]c(Oc2ccc([N+](=O)[O-])cc2)nc2c1cnn2-c1ccccc1 ZINC000301347673 308697218 /nfs/dbraw/zinc/69/72/18/308697218.db2.gz LBFOAVNMUGUHTB-UHFFFAOYSA-N -1 1 349.306 3.222 20 5 EGBDMM CN(Cc1nc(-c2ccc([O-])c(F)c2)no1)c1ccccc1[N+](=O)[O-] ZINC000445472018 309941863 /nfs/dbraw/zinc/94/18/63/309941863.db2.gz JDAXSGATZOMSLN-UHFFFAOYSA-N -1 1 344.302 3.126 20 5 EGBDMM C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000512958404 312199161 /nfs/dbraw/zinc/19/91/61/312199161.db2.gz HHWLNRSMZUCNCB-MNOVXSKESA-N -1 1 346.836 3.353 20 5 EGBDMM O=C([N-]c1nnc(C2CC2)s1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000548819187 315051451 /nfs/dbraw/zinc/05/14/51/315051451.db2.gz AKDOXHYADNZXAA-UHFFFAOYSA-N -1 1 330.325 3.322 20 5 EGBDMM Cc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000564130381 316115784 /nfs/dbraw/zinc/11/57/84/316115784.db2.gz ZNRODOOEKOPKBM-UHFFFAOYSA-N -1 1 340.788 3.499 20 5 EGBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2cccc(Cl)c2)cc1 ZINC000243183978 455273245 /nfs/dbraw/zinc/27/32/45/455273245.db2.gz JXVDFKFFIZOEDN-UHFFFAOYSA-N -1 1 326.761 3.190 20 5 EGBDMM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000000090980 452504638 /nfs/dbraw/zinc/50/46/38/452504638.db2.gz OASNGLRREXBINI-UHFFFAOYSA-N -1 1 338.341 3.241 20 5 EGBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000072505059 454299023 /nfs/dbraw/zinc/29/90/23/454299023.db2.gz OUHCNTQVTQTIPJ-UHFFFAOYSA-N -1 1 326.230 3.273 20 5 EGBDMM O=C(Nc1ccc([O-])c(Cl)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000129626352 455119446 /nfs/dbraw/zinc/11/94/46/455119446.db2.gz ZTUZICDJQUOIKP-UHFFFAOYSA-N -1 1 332.703 3.082 20 5 EGBDMM Cc1cc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)ccc1[N+](=O)[O-] ZINC000339121705 456950228 /nfs/dbraw/zinc/95/02/28/456950228.db2.gz XCSPLWDVBPAEMG-UHFFFAOYSA-N -1 1 338.323 3.251 20 5 EGBDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1[N+](=O)[O-] ZINC000354209739 457132894 /nfs/dbraw/zinc/13/28/94/457132894.db2.gz UVKJEPAXSADVGI-UHFFFAOYSA-N -1 1 332.381 3.193 20 5 EGBDMM CCSc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000351525327 457302466 /nfs/dbraw/zinc/30/24/66/457302466.db2.gz RRQGDDITHKXVHY-JTQLQIEISA-N -1 1 347.396 3.298 20 5 EGBDMM O=[N+]([O-])c1cccc(CCc2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000445457047 458053380 /nfs/dbraw/zinc/05/33/80/458053380.db2.gz QSADHBSSEQLDIV-UHFFFAOYSA-N -1 1 329.287 3.275 20 5 EGBDMM O=C([O-])c1ccccc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000593731735 459967361 /nfs/dbraw/zinc/96/73/61/459967361.db2.gz ARGNNHVQHJRJBS-UHFFFAOYSA-N -1 1 326.352 3.458 20 5 EGBDMM CC1(C)[C@@H](C(F)(F)F)CCN1Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593742231 459971189 /nfs/dbraw/zinc/97/11/89/459971189.db2.gz WSDKEJXVFDTEII-LBPRGKRZSA-N -1 1 346.305 3.456 20 5 EGBDMM CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000750170993 574666214 /nfs/dbraw/zinc/66/62/14/574666214.db2.gz ARFXUHAPFKWTNP-LBPRGKRZSA-N -1 1 332.809 3.105 20 5 EGBDMM CCCC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000727837264 574693853 /nfs/dbraw/zinc/69/38/53/574693853.db2.gz UXSHTXXYRADPDC-YPMHNXCESA-N -1 1 344.408 3.371 20 5 EGBDMM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1nc2ccc(Cl)cc2[nH]1 ZINC000732519613 575274059 /nfs/dbraw/zinc/27/40/59/575274059.db2.gz RURNGJAIKBTYDX-ZETCQYMHSA-N -1 1 334.719 3.371 20 5 EGBDMM C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000735083962 575601066 /nfs/dbraw/zinc/60/10/66/575601066.db2.gz YXWJZPUWYXNJMY-NXEZZACHSA-N -1 1 346.836 3.351 20 5 EGBDMM C[C@@H](Nc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000820456289 607344291 /nfs/dbraw/zinc/34/42/91/607344291.db2.gz RMAUXLJEWRBXHJ-MRVPVSSYSA-N -1 1 346.297 3.226 20 5 EGBDMM Cc1ccc(C)c(CSc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822232200 606708850 /nfs/dbraw/zinc/70/88/50/606708850.db2.gz WQTRORHCOQKFTC-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM Cc1ccc(C)c(CSc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822232200 606708852 /nfs/dbraw/zinc/70/88/52/606708852.db2.gz WQTRORHCOQKFTC-UHFFFAOYSA-N -1 1 342.384 3.079 20 5 EGBDMM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1csc(C2CC2)n1 ZINC000194798821 1296010592 /nfs/dbraw/zinc/01/05/92/1296010592.db2.gz XXLBOYBAFNSTFM-UHFFFAOYSA-N -1 1 325.296 3.459 20 5 EGBDMM Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1C ZINC000769046591 1303036168 /nfs/dbraw/zinc/03/61/68/1303036168.db2.gz GKYWGQOFRGFJFB-LBPRGKRZSA-N -1 1 343.335 3.345 20 5 EGBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)c1ccc(Cl)cc1 ZINC000780069641 1304635625 /nfs/dbraw/zinc/63/56/25/1304635625.db2.gz QZWAMEZSXLJZII-SECBINFHSA-N -1 1 349.726 3.382 20 5 EGBDMM O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])[N-]OC1CCCCC1 ZINC000790567874 1306353572 /nfs/dbraw/zinc/35/35/72/1306353572.db2.gz KPGXECHCUYLBNR-UHFFFAOYSA-N -1 1 330.743 3.310 20 5 EGBDMM Cc1ccc(CS(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c(F)c1 ZINC000800929723 1310839031 /nfs/dbraw/zinc/83/90/31/1310839031.db2.gz NOCREIIISYRQPP-UHFFFAOYSA-N -1 1 342.323 3.123 20 5 EGBDMM O=C(Nc1cc(Cl)c(O)cc1F)c1cccc([N+](=O)[O-])c1[O-] ZINC000805258970 1317334489 /nfs/dbraw/zinc/33/44/89/1317334489.db2.gz DKMBYCPNLKKLBA-UHFFFAOYSA-N -1 1 326.667 3.051 20 5 EGBDMM Cc1c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc2cncn21 ZINC001116593712 1370942446 /nfs/dbraw/zinc/94/24/46/1370942446.db2.gz YKSQDJHZEFXFBU-UHFFFAOYSA-N -1 1 346.730 3.162 20 5 EGBDMM COC(=O)c1nc(Cl)nc(Cl)c1[N-]c1ccccc1[N+](=O)[O-] ZINC001206150162 1370973608 /nfs/dbraw/zinc/97/36/08/1370973608.db2.gz GHCIBNQBQBHINT-UHFFFAOYSA-N -1 1 343.126 3.222 20 5 EGBDMM COc1cc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc(Br)n1 ZINC001210394820 1372341034 /nfs/dbraw/zinc/34/10/34/1372341034.db2.gz IOZPVTSDLOKIGM-UHFFFAOYSA-N -1 1 340.133 3.210 20 5 EGBDMM Nc1cc2nc3ccccc3n(-c3cc(F)cc(F)c3[O-])c-2cc1=O ZINC001212491676 1372715404 /nfs/dbraw/zinc/71/54/04/1372715404.db2.gz WAGOUYVWAQGMEJ-UHFFFAOYSA-N -1 1 339.301 3.057 20 5 EGBDMM C[C@@H](COC(C)(C)C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861883 1375697522 /nfs/dbraw/zinc/69/75/22/1375697522.db2.gz IMQNXYWBIKQESK-ZETCQYMHSA-N -1 1 338.282 3.297 20 5 EGBDMM C[C@H](Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-])c1cccnc1 ZINC001228861890 1375697097 /nfs/dbraw/zinc/69/70/97/1375697097.db2.gz IZIHQPZROZCZBI-ZETCQYMHSA-N -1 1 329.234 3.249 20 5 EGBDMM C[C@H](COC(C)(C)C)Oc1nc(C(F)(F)F)cc([O-])c1[N+](=O)[O-] ZINC001228861882 1375697660 /nfs/dbraw/zinc/69/76/60/1375697660.db2.gz IMQNXYWBIKQESK-SSDOTTSWSA-N -1 1 338.282 3.297 20 5 EGBDMM Cc1nc(O[C@@H](C)c2c(Cl)cncc2Cl)c([N+](=O)[O-])c(=O)[n-]1 ZINC001229378608 1375823439 /nfs/dbraw/zinc/82/34/39/1375823439.db2.gz HNEAWZIJOUJHQF-YFKPBYRVSA-N -1 1 345.142 3.241 20 5 EGBDMM C[C@H]1C[C@@H](Oc2cc3c(cc2O)c(=O)oc2cc([O-])ccc23)CCO1 ZINC001229806934 1375897165 /nfs/dbraw/zinc/89/71/65/1375897165.db2.gz XMWIHQZNLXUFDT-JQWIXIFHSA-N -1 1 342.347 3.304 20 5 EGBDMM COCCn1c2ccc(F)cc2nc1-c1cc([O-])cc([N+](=O)[O-])c1 ZINC001251385449 1377085644 /nfs/dbraw/zinc/08/56/44/1377085644.db2.gz AHJWQCIJJUBQIP-UHFFFAOYSA-N -1 1 331.303 3.103 20 5 EGBDMM COc1cc(C)nc([N-][C@H](c2ccccn2)C(F)(F)F)c1[N+](=O)[O-] ZINC001157685010 1381001268 /nfs/dbraw/zinc/00/12/68/1381001268.db2.gz SAPCMPYNPVZUET-GFCCVEGCSA-N -1 1 342.277 3.417 20 5 EGBDMM O=[N+]([O-])c1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Cl)c1 ZINC000823639430 1424984291 /nfs/dbraw/zinc/98/42/91/1424984291.db2.gz ADUPIRDWXQMYLC-UHFFFAOYSA-N -1 1 348.725 3.180 20 5 EGBDMM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000820409727 1426807691 /nfs/dbraw/zinc/80/76/91/1426807691.db2.gz ABRRMAHVWTXXOE-RYUDHWBXSA-N -1 1 338.371 3.187 20 5 EGBDMM C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000820409727 1426807711 /nfs/dbraw/zinc/80/77/11/1426807711.db2.gz ABRRMAHVWTXXOE-RYUDHWBXSA-N -1 1 338.371 3.187 20 5 EGBDMM O=[N+]([O-])c1cccc(CNc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000738367027 1443447563 /nfs/dbraw/zinc/44/75/63/1443447563.db2.gz NTKAMMQYZTWDQT-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823640134 1443953541 /nfs/dbraw/zinc/95/35/41/1443953541.db2.gz UUSHSSLJAABEQT-UHFFFAOYSA-N -1 1 330.735 3.040 20 5 EGBDMM O=[N+]([O-])c1ccc(OCc2ccc(F)cc2-c2nnn[n-]2)cc1Cl ZINC000738367951 1447197387 /nfs/dbraw/zinc/19/73/87/1447197387.db2.gz XLLSZXHNIHAZOR-UHFFFAOYSA-N -1 1 349.709 3.146 20 5 EGBDMM