smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000124294205 138325623 /nfs/dbraw/zinc/32/56/23/138325623.db2.gz BOOBJPGKCPBKFB-VIFPVBQESA-N -1 1 334.336 1.382 20 5 EDBDMM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263141486 304162303 /nfs/dbraw/zinc/16/23/03/304162303.db2.gz YKWJWACXLZAJIY-BXGCZWRVSA-N -1 1 344.327 1.796 20 5 EDBDMM O=C(CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)Nc1ccccc1[N+](=O)[O-] ZINC000262130067 139253495 /nfs/dbraw/zinc/25/34/95/139253495.db2.gz KREVWUBBNDSHSM-MEDUHNTESA-N -1 1 333.344 1.720 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)OC)c([N+](=O)[O-])n1 ZINC000416651251 251094887 /nfs/dbraw/zinc/09/48/87/251094887.db2.gz RMRZDXTUDPJLSL-SNVBAGLBSA-N -1 1 334.398 1.151 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c([N+](=O)[O-])n1 ZINC000339048392 141948570 /nfs/dbraw/zinc/94/85/70/141948570.db2.gz MPHBUVWUWSMJPG-UHFFFAOYSA-N -1 1 346.315 1.568 20 5 EDBDMM COC(=O)Cc1nc([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)n[nH]1 ZINC000346254032 143183965 /nfs/dbraw/zinc/18/39/65/143183965.db2.gz OSVOEQACEVAHOF-UHFFFAOYSA-N -1 1 345.271 1.427 20 5 EDBDMM CS(=O)(=O)c1nc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)n[n-]1 ZINC000347037137 143274859 /nfs/dbraw/zinc/27/48/59/143274859.db2.gz NJXBJRDHWHEIOD-UHFFFAOYSA-N -1 1 345.724 1.022 20 5 EDBDMM CS(=O)(=O)c1nnc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)[n-]1 ZINC000347037137 143274860 /nfs/dbraw/zinc/27/48/60/143274860.db2.gz NJXBJRDHWHEIOD-UHFFFAOYSA-N -1 1 345.724 1.022 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000352715096 149126545 /nfs/dbraw/zinc/12/65/45/149126545.db2.gz WWOHGROOZYVBOT-SECBINFHSA-N -1 1 340.361 1.943 20 5 EDBDMM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352799152 149169961 /nfs/dbraw/zinc/16/99/61/149169961.db2.gz FGMYCTPBAGWVJV-UHFFFAOYSA-N -1 1 348.290 1.545 20 5 EDBDMM CCC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000352946467 149224747 /nfs/dbraw/zinc/22/47/47/149224747.db2.gz WDGAERQVMQPIDD-NSHDSACASA-N -1 1 330.362 1.356 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2nnc(C)s2)c([N+](=O)[O-])n1 ZINC000352999311 149246616 /nfs/dbraw/zinc/24/66/16/149246616.db2.gz DMLRHEUTTTVIIH-LURJTMIESA-N -1 1 346.394 1.011 20 5 EDBDMM CCOC(=O)c1nnsc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC000358463766 151385508 /nfs/dbraw/zinc/38/55/08/151385508.db2.gz WINKDACDPRVESE-UHFFFAOYSA-N -1 1 328.331 1.937 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000363693872 153031647 /nfs/dbraw/zinc/03/16/47/153031647.db2.gz KYVWFLCRCLLTFV-WFASDCNBSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2cccnc2)C1 ZINC000364433596 153236475 /nfs/dbraw/zinc/23/64/75/153236475.db2.gz ZZORETZSJIPJGX-LBPRGKRZSA-N -1 1 330.300 1.384 20 5 EDBDMM C[C@H]1CN(C2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)CCO1 ZINC000373832679 300236816 /nfs/dbraw/zinc/23/68/16/300236816.db2.gz VADHMMAUOPOGNV-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c(F)c1 ZINC000428368920 305009578 /nfs/dbraw/zinc/00/95/78/305009578.db2.gz HXEAPBMFHGRKJZ-ZCFIWIBFSA-N -1 1 328.268 1.028 20 5 EDBDMM O=C(N[C@@H]1CCc2ccccc2C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000446603355 305267755 /nfs/dbraw/zinc/26/77/55/305267755.db2.gz XIOCANOPHDYOIB-GFCCVEGCSA-N -1 1 327.296 1.623 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])[nH]1 ZINC000451598842 305355600 /nfs/dbraw/zinc/35/56/00/305355600.db2.gz PIHSSMBKDVVCBM-UHFFFAOYSA-N -1 1 345.768 1.407 20 5 EDBDMM CC[C@H](C)[C@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])OC ZINC000451677689 305361688 /nfs/dbraw/zinc/36/16/88/305361688.db2.gz HALDGMDODMYCIP-UWVGGRQHSA-N -1 1 334.398 1.151 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000493076316 305613184 /nfs/dbraw/zinc/61/31/84/305613184.db2.gz GZPZHMQOPQAQRP-VIFPVBQESA-N -1 1 340.361 1.943 20 5 EDBDMM COCc1nc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)co1 ZINC000547861425 306113879 /nfs/dbraw/zinc/11/38/79/306113879.db2.gz INQMDTVUMIWOKH-UHFFFAOYSA-N -1 1 344.287 1.767 20 5 EDBDMM CO[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc(F)cc1 ZINC000084406859 441398724 /nfs/dbraw/zinc/39/87/24/441398724.db2.gz VYVABECKENTYLP-CYBMUJFWSA-N -1 1 335.291 1.540 20 5 EDBDMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000030004120 441482956 /nfs/dbraw/zinc/48/29/56/441482956.db2.gz BFXUUSONWKGLLS-ZETCQYMHSA-N -1 1 335.769 1.051 20 5 EDBDMM O=C(NCCc1cccc2cccnc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000032064749 441544927 /nfs/dbraw/zinc/54/49/27/441544927.db2.gz FHYISEFLQXHTTA-UHFFFAOYSA-N -1 1 338.323 1.804 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000188333730 442740851 /nfs/dbraw/zinc/74/08/51/442740851.db2.gz JMTKKAVBPFEXLB-DTWKUNHWSA-N -1 1 334.781 1.688 20 5 EDBDMM Cc1cccc(C[C@@H](CO)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000191144487 443248505 /nfs/dbraw/zinc/24/85/05/443248505.db2.gz FQLKVPUZMKTUEF-ZDUSSCGKSA-N -1 1 331.328 1.337 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCN1CCSCC1 ZINC000264865498 443458455 /nfs/dbraw/zinc/45/84/55/443458455.db2.gz PYJOWWDURJAWDC-UHFFFAOYSA-N -1 1 349.409 1.061 20 5 EDBDMM COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(OC)c1 ZINC000344304651 444891036 /nfs/dbraw/zinc/89/10/36/444891036.db2.gz FCVMXZAGRZSRMT-UHFFFAOYSA-N -1 1 347.327 1.685 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342919179 444941461 /nfs/dbraw/zinc/94/14/61/444941461.db2.gz GNDIZGFSMPHFIK-UHFFFAOYSA-N -1 1 341.331 1.789 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330457013 444987913 /nfs/dbraw/zinc/98/79/13/444987913.db2.gz PZYXLUAMILOARI-GARJFASQSA-N -1 1 330.410 1.914 20 5 EDBDMM COc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000611072352 450423562 /nfs/dbraw/zinc/42/35/62/450423562.db2.gz PAJYHYIXSGAVBJ-SNVBAGLBSA-N -1 1 332.320 1.136 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000348272310 445334429 /nfs/dbraw/zinc/33/44/29/445334429.db2.gz BQUFCSWLHLGIDK-UHFFFAOYSA-N -1 1 329.320 1.101 20 5 EDBDMM C[S@@](=O)Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000360031967 445537796 /nfs/dbraw/zinc/53/77/96/445537796.db2.gz QZMYHFMTSCGNFB-XMMPIXPASA-N -1 1 349.368 1.504 20 5 EDBDMM CC(C)OC(=O)[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000358874131 445824867 /nfs/dbraw/zinc/82/48/67/445824867.db2.gz IMXZBMXNRLRFSQ-MRVPVSSYSA-N -1 1 336.391 1.522 20 5 EDBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000362286094 446306209 /nfs/dbraw/zinc/30/62/09/446306209.db2.gz MFYRRCYGWTVMHG-GFCCVEGCSA-N -1 1 344.345 1.604 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(O)(c2ccc(Cl)cc2)C1 ZINC000375028454 446527239 /nfs/dbraw/zinc/52/72/39/446527239.db2.gz XCCWFZZBSSRKSQ-UHFFFAOYSA-N -1 1 349.730 1.692 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccc(F)cc2)s1 ZINC000443285080 447026302 /nfs/dbraw/zinc/02/63/02/447026302.db2.gz NQDRNDDBRVCYRG-SNVBAGLBSA-N -1 1 346.361 1.807 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC(=O)N1 ZINC000416503623 447629963 /nfs/dbraw/zinc/62/99/63/447629963.db2.gz WJTPONGVZJRQAV-LBPRGKRZSA-N -1 1 347.780 1.195 20 5 EDBDMM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000541809073 448695018 /nfs/dbraw/zinc/69/50/18/448695018.db2.gz KEYZXZYEVKASNL-MRVPVSSYSA-N -1 1 342.402 1.837 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(F)cc1F ZINC000573858099 448731667 /nfs/dbraw/zinc/73/16/67/448731667.db2.gz ZRIVMEZQXQHPMR-UHFFFAOYSA-N -1 1 343.311 1.789 20 5 EDBDMM O=C(NCCN1CC=CCC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000579717229 448862511 /nfs/dbraw/zinc/86/25/11/448862511.db2.gz VNXJWUFRMWHMQW-UHFFFAOYSA-N -1 1 325.752 1.946 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cnccc2C)c([N+](=O)[O-])n1 ZINC000611292063 449251836 /nfs/dbraw/zinc/25/18/36/449251836.db2.gz LOMNESNCIFOIHW-JTQLQIEISA-N -1 1 339.377 1.554 20 5 EDBDMM CC1(N2CCOCC2)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000600412252 449362843 /nfs/dbraw/zinc/36/28/43/449362843.db2.gz ZTNYOICRYMWHRZ-UHFFFAOYSA-N -1 1 349.387 1.627 20 5 EDBDMM CC(C)OC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000594408959 449499831 /nfs/dbraw/zinc/49/98/31/449499831.db2.gz RYOWPIHUOITVOW-NSHDSACASA-N -1 1 339.348 1.792 20 5 EDBDMM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598777595 449597874 /nfs/dbraw/zinc/59/78/74/449597874.db2.gz YWTVMXYZXNRIGS-XHDPSFHLSA-N -1 1 337.332 1.547 20 5 EDBDMM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cn1 ZINC000594754501 449669116 /nfs/dbraw/zinc/66/91/16/449669116.db2.gz RAWZKSGNIISQQM-JTQLQIEISA-N -1 1 339.377 1.807 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1F ZINC000599211004 449801139 /nfs/dbraw/zinc/80/11/39/449801139.db2.gz LGJZDUWUWURHMF-UHFFFAOYSA-N -1 1 328.325 1.254 20 5 EDBDMM O=C([O-])C[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000595249921 449976172 /nfs/dbraw/zinc/97/61/72/449976172.db2.gz LYGJACPXBMMZOF-SECBINFHSA-N -1 1 332.316 1.702 20 5 EDBDMM O=C(NCc1nn[n-]n1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000609489033 450038147 /nfs/dbraw/zinc/03/81/47/450038147.db2.gz CCAMCHGWVNGLMF-UHFFFAOYSA-N -1 1 340.299 1.830 20 5 EDBDMM C[C@@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265513 450176654 /nfs/dbraw/zinc/17/66/54/450176654.db2.gz QPQRMVDSIUFMQM-ZFWWWQNUSA-N -1 1 333.369 1.998 20 5 EDBDMM COCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000603904379 450374828 /nfs/dbraw/zinc/37/48/28/450374828.db2.gz FLNOYFCXHQUBAT-UHFFFAOYSA-N -1 1 348.315 1.046 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2cccnc2)CC1 ZINC000186828911 534768377 /nfs/dbraw/zinc/76/83/77/534768377.db2.gz VBIYBHJOSFFINL-UHFFFAOYSA-N -1 1 343.343 1.048 20 5 EDBDMM O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740631594 579371673 /nfs/dbraw/zinc/37/16/73/579371673.db2.gz XXHKIBOFRRHWRW-KWQFWETISA-N -1 1 347.331 1.637 20 5 EDBDMM COC(=O)CC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000741248877 579404688 /nfs/dbraw/zinc/40/46/88/579404688.db2.gz BAHJFEUHOYYHDR-UHFFFAOYSA-N -1 1 334.325 1.354 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000738383219 578502198 /nfs/dbraw/zinc/50/21/98/578502198.db2.gz MOPYPOQFZUETEU-UHFFFAOYSA-N -1 1 328.325 1.498 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]n1 ZINC000738383219 578502199 /nfs/dbraw/zinc/50/21/99/578502199.db2.gz MOPYPOQFZUETEU-UHFFFAOYSA-N -1 1 328.325 1.498 20 5 EDBDMM C[C@H](CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736572843 579001491 /nfs/dbraw/zinc/00/14/91/579001491.db2.gz SLWLOEWGQKQLNF-MRVPVSSYSA-N -1 1 329.740 1.839 20 5 EDBDMM O=C([O-])CCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000739777874 579249565 /nfs/dbraw/zinc/24/95/65/579249565.db2.gz RYMZFMNRWMJOQK-UHFFFAOYSA-N -1 1 340.292 1.855 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](O)c1ccco1 ZINC000751205048 579797194 /nfs/dbraw/zinc/79/71/94/579797194.db2.gz MKBOSEYMFVVETL-JTQLQIEISA-N -1 1 346.748 1.853 20 5 EDBDMM NC(=O)c1ccc(F)c([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768886119 580223485 /nfs/dbraw/zinc/22/34/85/580223485.db2.gz AVMGGRNDVVEZLJ-UHFFFAOYSA-N -1 1 345.333 1.695 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)n1 ZINC000772060566 580302442 /nfs/dbraw/zinc/30/24/42/580302442.db2.gz RWZYAIGAVCGSCZ-UHFFFAOYSA-N -1 1 345.267 1.497 20 5 EDBDMM CO[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000774798775 580374503 /nfs/dbraw/zinc/37/45/03/580374503.db2.gz OTDZRGAWRGMXNW-MWLCHTKSSA-N -1 1 332.353 1.827 20 5 EDBDMM CC(C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCCC1 ZINC000795367795 580920198 /nfs/dbraw/zinc/92/01/98/580920198.db2.gz PVOOCCLUSMVOEH-UHFFFAOYSA-N -1 1 347.418 1.336 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COC[C@H]2C2CC2)cc1F ZINC000908408019 592483140 /nfs/dbraw/zinc/48/31/40/592483140.db2.gz OIIOAQIONHRBKN-CMPLNLGQSA-N -1 1 344.364 1.746 20 5 EDBDMM Cc1nn(C)c(Cl)c1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000816389553 593522233 /nfs/dbraw/zinc/52/22/33/593522233.db2.gz KPVRDHHYAQNFLS-UHFFFAOYSA-N -1 1 339.739 1.663 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCCO ZINC000815040180 593611560 /nfs/dbraw/zinc/61/15/60/593611560.db2.gz ZHKTYHSCLBUCDY-UHFFFAOYSA-N -1 1 326.733 1.438 20 5 EDBDMM Cc1cc(Cl)c(C(=O)OCc2nc(=O)n(C)[n-]2)cc1[N+](=O)[O-] ZINC000815407110 593631765 /nfs/dbraw/zinc/63/17/65/593631765.db2.gz IADVLYWMQWULIN-UHFFFAOYSA-N -1 1 326.696 1.335 20 5 EDBDMM C[C@@H](C[C@H](O)c1ccco1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820231139 593801043 /nfs/dbraw/zinc/80/10/43/593801043.db2.gz BAMDZYKGMBEMDX-WPRPVWTQSA-N -1 1 345.319 1.687 20 5 EDBDMM C[C@@H](C[C@H](O)c1ccco1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820231139 593801044 /nfs/dbraw/zinc/80/10/44/593801044.db2.gz BAMDZYKGMBEMDX-WPRPVWTQSA-N -1 1 345.319 1.687 20 5 EDBDMM COC(=O)[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(C)C ZINC000821640938 593892302 /nfs/dbraw/zinc/89/23/02/593892302.db2.gz SDMCVFXUIMXEIK-SECBINFHSA-N -1 1 349.351 1.417 20 5 EDBDMM COC(=O)[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(C)C ZINC000821640938 593892304 /nfs/dbraw/zinc/89/23/04/593892304.db2.gz SDMCVFXUIMXEIK-SECBINFHSA-N -1 1 349.351 1.417 20 5 EDBDMM COC(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821665155 593903433 /nfs/dbraw/zinc/90/34/33/593903433.db2.gz XWELZOGUQKLQIZ-UHFFFAOYSA-N -1 1 347.335 1.418 20 5 EDBDMM Cc1ccccc1[C@H](O)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822350133 594036424 /nfs/dbraw/zinc/03/64/24/594036424.db2.gz AVCZFPOHDGACHT-GFCCVEGCSA-N -1 1 341.331 1.624 20 5 EDBDMM Cc1ccccc1[C@H](O)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822350133 594036425 /nfs/dbraw/zinc/03/64/25/594036425.db2.gz AVCZFPOHDGACHT-GFCCVEGCSA-N -1 1 341.331 1.624 20 5 EDBDMM Cn1cnc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc21 ZINC000822699356 594087570 /nfs/dbraw/zinc/08/75/70/594087570.db2.gz XSRPOYZYMCJPRU-UHFFFAOYSA-N -1 1 337.303 1.800 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826496566 594501496 /nfs/dbraw/zinc/50/14/96/594501496.db2.gz ABNLBXNQZYBSCE-UWVGGRQHSA-N -1 1 331.336 1.033 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]([C@H]2CCOC2)C1 ZINC000826496566 594501499 /nfs/dbraw/zinc/50/14/99/594501499.db2.gz ABNLBXNQZYBSCE-UWVGGRQHSA-N -1 1 331.336 1.033 20 5 EDBDMM COc1ccc(OCCN2CC[C@@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500521 594627238 /nfs/dbraw/zinc/62/72/38/594627238.db2.gz LLTGDGUMFBXHLJ-LLVKDONJSA-N -1 1 339.348 1.666 20 5 EDBDMM Cc1c(NC(=O)CCN2CC[C@](F)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857694 594781368 /nfs/dbraw/zinc/78/13/68/594781368.db2.gz VIIFZKYTQYFCTK-OAHLLOKOSA-N -1 1 339.323 1.730 20 5 EDBDMM CC(C)(C(=O)[O-])[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccccc1 ZINC000833415839 594844790 /nfs/dbraw/zinc/84/47/90/594844790.db2.gz YARGXMGXOVZEMS-LBPRGKRZSA-N -1 1 332.316 1.900 20 5 EDBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H](C)O1 ZINC000841560814 594923174 /nfs/dbraw/zinc/92/31/74/594923174.db2.gz OYCRAOBCFPSRBQ-UTLUCORTSA-N -1 1 332.353 1.826 20 5 EDBDMM O=C([O-])N1CC[C@H](N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834081054 595008422 /nfs/dbraw/zinc/00/84/22/595008422.db2.gz DBLYRVAEQGXJJG-LSDHHAIUSA-N -1 1 335.360 1.845 20 5 EDBDMM Cc1nc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)no1 ZINC000848584066 595409565 /nfs/dbraw/zinc/40/95/65/595409565.db2.gz NBRRTHHJROGGCP-UHFFFAOYSA-N -1 1 328.231 1.574 20 5 EDBDMM C[C@@H](O)C1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000851831528 595939896 /nfs/dbraw/zinc/93/98/96/595939896.db2.gz YLBXDRZKKPYCJU-ZCFIWIBFSA-N -1 1 338.744 1.579 20 5 EDBDMM Cc1cc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])c(F)cc1F ZINC000125567020 596975649 /nfs/dbraw/zinc/97/56/49/596975649.db2.gz LBCRFYWVCWWOBU-UHFFFAOYSA-N -1 1 344.299 1.882 20 5 EDBDMM C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739183971 602777136 /nfs/dbraw/zinc/77/71/36/602777136.db2.gz IERCUUJDVIPWKM-SKDRFNHKSA-N -1 1 336.348 1.172 20 5 EDBDMM C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000182807095 201032727 /nfs/dbraw/zinc/03/27/27/201032727.db2.gz FCELCURQCJHTTI-SECBINFHSA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nnc2ccccn21 ZINC000175085966 207091439 /nfs/dbraw/zinc/09/14/39/207091439.db2.gz ZYEXUUOBCCTAKY-QMMMGPOBSA-N -1 1 328.288 1.229 20 5 EDBDMM C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C(=O)[O-] ZINC000424272217 252188593 /nfs/dbraw/zinc/18/85/93/252188593.db2.gz ZKKQEAOBUNCLJT-SDBXPKJASA-N -1 1 332.316 1.796 20 5 EDBDMM O=C([O-])CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000340453367 142396560 /nfs/dbraw/zinc/39/65/60/142396560.db2.gz FRIHQJBUJQNAPY-UHFFFAOYSA-N -1 1 343.144 1.655 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)s1 ZINC000344920905 143026978 /nfs/dbraw/zinc/02/69/78/143026978.db2.gz AEXWIHVMGKOHIP-JTQLQIEISA-N -1 1 343.386 1.106 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCSC2)c([N+](=O)[O-])n1 ZINC000344944717 143029390 /nfs/dbraw/zinc/02/93/90/143029390.db2.gz CWGLCWKPNRPIDV-VIFPVBQESA-N -1 1 334.423 1.233 20 5 EDBDMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000347728997 143355327 /nfs/dbraw/zinc/35/53/27/143355327.db2.gz YZGQRCUHYPHKSA-UHFFFAOYSA-N -1 1 343.342 1.262 20 5 EDBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1noc(C2CC2)n1 ZINC000352950815 149226627 /nfs/dbraw/zinc/22/66/27/149226627.db2.gz ZEJDLENGMZEBNA-UHFFFAOYSA-N -1 1 338.345 1.475 20 5 EDBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000355225641 150172505 /nfs/dbraw/zinc/17/25/05/150172505.db2.gz FSEJQOAVEIOYBZ-GWCFXTLKSA-N -1 1 344.389 1.602 20 5 EDBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OCC ZINC000574894891 306659609 /nfs/dbraw/zinc/65/96/09/306659609.db2.gz MAKYOUKMHLNIQU-JTQLQIEISA-N -1 1 345.377 1.248 20 5 EDBDMM Cc1cn2c(n1)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCC2 ZINC000372227100 156277862 /nfs/dbraw/zinc/27/78/62/156277862.db2.gz YJXZWEVIVIMMHL-JTQLQIEISA-N -1 1 331.332 1.508 20 5 EDBDMM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC(CN2CCOCC2)CC1 ZINC000373835430 157025892 /nfs/dbraw/zinc/02/58/92/157025892.db2.gz LAMJBKKAKDUOSM-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM CC(C)OC(=O)CC[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352493014 162211568 /nfs/dbraw/zinc/21/15/68/162211568.db2.gz NWHVTKXVCSCTDS-SECBINFHSA-N -1 1 325.321 1.546 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@@H](C)O1 ZINC000130359272 287491604 /nfs/dbraw/zinc/49/16/04/287491604.db2.gz HMFLOQVWCKPYKF-VXGBXAGGSA-N -1 1 337.376 1.530 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000193742791 267846077 /nfs/dbraw/zinc/84/60/77/267846077.db2.gz ANUQTJOTFPCUGZ-IINYFYTJSA-N -1 1 331.328 1.417 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000348255984 280227900 /nfs/dbraw/zinc/22/79/00/280227900.db2.gz HDZSPJQMMADPQQ-QWHCGFSZSA-N -1 1 347.302 1.783 20 5 EDBDMM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000451680041 305361880 /nfs/dbraw/zinc/36/18/80/305361880.db2.gz QKTDKHHNNLOKHA-UHFFFAOYSA-N -1 1 331.379 1.376 20 5 EDBDMM Cn1cnc(S(=O)(=O)[N-]CCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000058094375 441151148 /nfs/dbraw/zinc/15/11/48/441151148.db2.gz HOBZLIHTOSRWAI-UHFFFAOYSA-N -1 1 344.780 1.503 20 5 EDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)o1 ZINC000032660076 441563826 /nfs/dbraw/zinc/56/38/26/441563826.db2.gz IBMBAPBVSYSPRT-UHFFFAOYSA-N -1 1 339.329 1.657 20 5 EDBDMM CC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000032745842 441568870 /nfs/dbraw/zinc/56/88/70/441568870.db2.gz VTKZQZVBXQVMJC-UHFFFAOYSA-N -1 1 330.300 1.172 20 5 EDBDMM O=C(NCc1cccc(-c2nc[nH]n2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000115714880 441771592 /nfs/dbraw/zinc/77/15/92/441771592.db2.gz PCIHBKBHDNXDEV-UHFFFAOYSA-N -1 1 340.299 1.411 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151072109 442001002 /nfs/dbraw/zinc/00/10/02/442001002.db2.gz OEVGJEKCLABSBJ-ZOFUNIGCSA-N -1 1 332.765 1.846 20 5 EDBDMM O=C(NCCCN1CCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193401520 442739436 /nfs/dbraw/zinc/73/94/36/442739436.db2.gz XBXMIWVYYIDKFK-UHFFFAOYSA-N -1 1 342.355 1.878 20 5 EDBDMM Cc1cc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(C)c1O ZINC000188693511 442789536 /nfs/dbraw/zinc/78/95/36/442789536.db2.gz HADLPULJRNXDRX-UHFFFAOYSA-N -1 1 331.328 1.990 20 5 EDBDMM O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193753128 442780064 /nfs/dbraw/zinc/78/00/64/442780064.db2.gz SJOHTYWFKVXGTA-RTXFEEFZSA-N -1 1 333.344 1.773 20 5 EDBDMM CCC[C@@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000272330786 443593503 /nfs/dbraw/zinc/59/35/03/443593503.db2.gz LOISUWLPMQEHIE-SSDOTTSWSA-N -1 1 348.348 1.384 20 5 EDBDMM CCc1[nH]nc(C(=O)[N-]c2ccccc2SCC(N)=O)c1[N+](=O)[O-] ZINC000443923448 320114873 /nfs/dbraw/zinc/11/48/73/320114873.db2.gz TWPWCUABNIKYBP-UHFFFAOYSA-N -1 1 349.372 1.710 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2ncccc2F)s1 ZINC000446921957 320135735 /nfs/dbraw/zinc/13/57/35/320135735.db2.gz VLSZURKAGHHCHW-UHFFFAOYSA-N -1 1 347.349 1.548 20 5 EDBDMM COC(=O)c1cnc([N-]c2cnn(CC(F)F)c2)c([N+](=O)[O-])c1 ZINC000276862887 443856814 /nfs/dbraw/zinc/85/68/14/443856814.db2.gz ZERKYAKDJLEGEU-UHFFFAOYSA-N -1 1 327.247 1.982 20 5 EDBDMM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000288516149 443905315 /nfs/dbraw/zinc/90/53/15/443905315.db2.gz FYRAPHGXTBULJK-UHFFFAOYSA-N -1 1 328.325 1.885 20 5 EDBDMM COCC1(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000576252183 321551299 /nfs/dbraw/zinc/55/12/99/321551299.db2.gz UQIATHNEZUTQLE-UHFFFAOYSA-N -1 1 329.378 1.475 20 5 EDBDMM CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314184412 444299065 /nfs/dbraw/zinc/29/90/65/444299065.db2.gz XNXMQJYUJNELHL-SNVBAGLBSA-N -1 1 329.378 1.063 20 5 EDBDMM Cn1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000336875582 444821356 /nfs/dbraw/zinc/82/13/56/444821356.db2.gz JBKALGFSXDNRHO-UHFFFAOYSA-N -1 1 343.292 1.571 20 5 EDBDMM COCCCOc1cnc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000350448323 445830077 /nfs/dbraw/zinc/83/00/77/445830077.db2.gz SFOVOYISFMPCQX-UHFFFAOYSA-N -1 1 346.303 1.845 20 5 EDBDMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCCN12 ZINC000369320428 446071646 /nfs/dbraw/zinc/07/16/46/446071646.db2.gz XYZLBPQKTYWYGN-DTWKUNHWSA-N -1 1 345.402 1.088 20 5 EDBDMM O=C(Nc1nnn[n-]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000365435883 446205028 /nfs/dbraw/zinc/20/50/28/446205028.db2.gz FLWUPTJJANNVAA-YPMHNXCESA-N -1 1 343.347 1.278 20 5 EDBDMM O=C(Nc1nn[n-]n1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]12 ZINC000365435883 446205032 /nfs/dbraw/zinc/20/50/32/446205032.db2.gz FLWUPTJJANNVAA-YPMHNXCESA-N -1 1 343.347 1.278 20 5 EDBDMM CN1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc21 ZINC000444885783 447145289 /nfs/dbraw/zinc/14/52/89/447145289.db2.gz CLKHYGFCUOPIHK-LLVKDONJSA-N -1 1 342.355 1.734 20 5 EDBDMM Cc1ccc(C[C@H](CO)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000457240968 447552177 /nfs/dbraw/zinc/55/21/77/447552177.db2.gz DTLXHPQNZNANBJ-CQSZACIVSA-N -1 1 345.355 1.646 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C23CCC(CC2)CC3)c([N+](=O)[O-])n1 ZINC000451083668 447673745 /nfs/dbraw/zinc/67/37/45/447673745.db2.gz ITDYCINVPJFGOF-UHFFFAOYSA-N -1 1 328.394 1.812 20 5 EDBDMM CC(C)[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000569076658 448956517 /nfs/dbraw/zinc/95/65/17/448956517.db2.gz KTSDKRCTNAVBPA-RYUDHWBXSA-N -1 1 343.405 1.719 20 5 EDBDMM O=C(NCc1n[nH]c(C2CC2)n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592803873 448996442 /nfs/dbraw/zinc/99/64/42/448996442.db2.gz NDQSZVKXWKWKHU-UHFFFAOYSA-N -1 1 337.723 1.879 20 5 EDBDMM COCC1(C(=O)[O-])CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000593752646 449179975 /nfs/dbraw/zinc/17/99/75/449179975.db2.gz RKKLOIOHWNVXMC-UHFFFAOYSA-N -1 1 338.360 1.917 20 5 EDBDMM O=C([O-])C[C@@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593290061 449209422 /nfs/dbraw/zinc/20/94/22/449209422.db2.gz BLQAQQOYYDMQIU-ZDUSSCGKSA-N -1 1 347.371 1.813 20 5 EDBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1csc([N+](=O)[O-])c1 ZINC000604512850 449242847 /nfs/dbraw/zinc/24/28/47/449242847.db2.gz AFQOKYTWDUONHP-NSHDSACASA-N -1 1 330.329 1.689 20 5 EDBDMM O=C([O-])[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000596027589 449324959 /nfs/dbraw/zinc/32/49/59/449324959.db2.gz SFMYGYBUSLETCS-SECBINFHSA-N -1 1 346.336 1.513 20 5 EDBDMM CC(C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000600489949 449407830 /nfs/dbraw/zinc/40/78/30/449407830.db2.gz IFZLBOULCOLDKH-UHFFFAOYSA-N -1 1 336.348 1.074 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](CC(F)(F)F)O1 ZINC000598505265 449430141 /nfs/dbraw/zinc/43/01/41/449430141.db2.gz AKVKMVXCXRXGMW-IONNQARKSA-N -1 1 349.265 1.877 20 5 EDBDMM COc1ccc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000600814028 449560098 /nfs/dbraw/zinc/56/00/98/449560098.db2.gz RUIZVOMARZLWRG-CQSZACIVSA-N -1 1 344.327 1.980 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598780018 449598928 /nfs/dbraw/zinc/59/89/28/449598928.db2.gz NNWWKFOUJDKLDF-MRVPVSSYSA-N -1 1 335.238 1.489 20 5 EDBDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594697442 449630458 /nfs/dbraw/zinc/63/04/58/449630458.db2.gz VXLBOJNIKFUPPH-SMDDNHRTSA-N -1 1 344.389 1.696 20 5 EDBDMM Cc1cc(S(=O)(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000601307768 449818522 /nfs/dbraw/zinc/81/85/22/449818522.db2.gz HBQLXZWTYAPRCE-WDEREUQCSA-N -1 1 345.446 1.870 20 5 EDBDMM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000614898423 449866067 /nfs/dbraw/zinc/86/60/67/449866067.db2.gz ZSPGQQBPMXJWKV-GFCCVEGCSA-N -1 1 349.265 1.879 20 5 EDBDMM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000595349740 450063912 /nfs/dbraw/zinc/06/39/12/450063912.db2.gz DUNUFGUFCGBIPH-JTQLQIEISA-N -1 1 347.780 1.051 20 5 EDBDMM CS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1 ZINC000610264309 450175437 /nfs/dbraw/zinc/17/54/37/450175437.db2.gz JBPVMDHZVDBTCX-VHSXEESVSA-N -1 1 331.419 1.942 20 5 EDBDMM COc1ccc2c(c1)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCO2 ZINC000345573143 537007484 /nfs/dbraw/zinc/00/74/84/537007484.db2.gz OIVXHRYLWUXEDZ-ZDUSSCGKSA-N -1 1 345.311 1.958 20 5 EDBDMM Nc1cc([N+](=O)[O-])ccc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000744455862 579511337 /nfs/dbraw/zinc/51/13/37/579511337.db2.gz ODFXKHBZCSSRTN-UHFFFAOYSA-N -1 1 343.295 1.290 20 5 EDBDMM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000759096363 579998365 /nfs/dbraw/zinc/99/83/65/579998365.db2.gz UQVJBSVWKTVEDL-QWRGUYRKSA-N -1 1 348.352 1.206 20 5 EDBDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000781656578 580553951 /nfs/dbraw/zinc/55/39/51/580553951.db2.gz BCAGIKJQTZYRMN-UHFFFAOYSA-N -1 1 338.345 1.772 20 5 EDBDMM CCOc1ccc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1[N+](=O)[O-] ZINC000801702522 581082833 /nfs/dbraw/zinc/08/28/33/581082833.db2.gz JYEHJOZVKOUTKF-UHFFFAOYSA-N -1 1 341.327 1.901 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@H](C3CC3)O2)s1 ZINC000907470111 592651553 /nfs/dbraw/zinc/65/15/53/592651553.db2.gz QRVFZNVKXZIVMH-NXEZZACHSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C([N-]C[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855792 593484211 /nfs/dbraw/zinc/48/42/11/593484211.db2.gz FATRPLAUMXTWCL-VIFPVBQESA-N -1 1 332.282 1.885 20 5 EDBDMM O=C([N-]C[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811855791 593484293 /nfs/dbraw/zinc/48/42/93/593484293.db2.gz FATRPLAUMXTWCL-SECBINFHSA-N -1 1 332.282 1.885 20 5 EDBDMM C[C@@H](CCc1cccn1C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820253863 593803395 /nfs/dbraw/zinc/80/33/95/593803395.db2.gz KJUHMXUQKLLLFN-JTQLQIEISA-N -1 1 342.363 1.942 20 5 EDBDMM C[C@@H](CCc1cccn1C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820253863 593803396 /nfs/dbraw/zinc/80/33/96/593803396.db2.gz KJUHMXUQKLLLFN-JTQLQIEISA-N -1 1 342.363 1.942 20 5 EDBDMM C[C@@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000820623363 593847683 /nfs/dbraw/zinc/84/76/83/593847683.db2.gz NQPXRVRSPADWLR-HZMBPMFUSA-N -1 1 333.352 1.523 20 5 EDBDMM C[C@@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000820623363 593847685 /nfs/dbraw/zinc/84/76/85/593847685.db2.gz NQPXRVRSPADWLR-HZMBPMFUSA-N -1 1 333.352 1.523 20 5 EDBDMM CO[C@@]1(C)C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821677847 593908244 /nfs/dbraw/zinc/90/82/44/593908244.db2.gz FTVSOYCJIMNWDH-OTYXRUKQSA-N -1 1 333.352 1.785 20 5 EDBDMM CO[C@@]1(C)C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821677847 593908245 /nfs/dbraw/zinc/90/82/45/593908245.db2.gz FTVSOYCJIMNWDH-OTYXRUKQSA-N -1 1 333.352 1.785 20 5 EDBDMM CC[C@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828075497 594336010 /nfs/dbraw/zinc/33/60/10/594336010.db2.gz BVPJFMAZBANTRZ-VHSXEESVSA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CO1 ZINC000828288612 594383903 /nfs/dbraw/zinc/38/39/03/594383903.db2.gz NVWVVRCJQMUDQV-BQBZGAKWSA-N -1 1 338.744 1.843 20 5 EDBDMM CC(C)(CCC(=O)N1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1)[N+](=O)[O-] ZINC000830795770 594479379 /nfs/dbraw/zinc/47/93/79/594479379.db2.gz OYONDDBPYXOCQH-GFCCVEGCSA-N -1 1 339.314 1.491 20 5 EDBDMM CO[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832065929 594723627 /nfs/dbraw/zinc/72/36/27/594723627.db2.gz IJOQARWJXNLFHY-MWLCHTKSSA-N -1 1 348.352 1.064 20 5 EDBDMM CCc1cc(CNc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])n[nH]1 ZINC000833671894 594902622 /nfs/dbraw/zinc/90/26/22/594902622.db2.gz URUXYUCQQYCEJX-UHFFFAOYSA-N -1 1 347.331 1.307 20 5 EDBDMM O=C([O-])C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000833775503 594927010 /nfs/dbraw/zinc/92/70/10/594927010.db2.gz GZPDWYMFLFMIKN-VIFPVBQESA-N -1 1 338.707 1.917 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CCCOC2)cc1F ZINC000867270168 594949127 /nfs/dbraw/zinc/94/91/27/594949127.db2.gz LPUJBAFLMHDXOV-UHFFFAOYSA-N -1 1 330.337 1.667 20 5 EDBDMM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000848591670 595411866 /nfs/dbraw/zinc/41/18/66/595411866.db2.gz UBUHJMJIWROHSW-QMMMGPOBSA-N -1 1 349.265 1.157 20 5 EDBDMM CCn1ncc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000859251311 596017558 /nfs/dbraw/zinc/01/75/58/596017558.db2.gz ASNARFDKYDINID-UHFFFAOYSA-N -1 1 331.379 1.055 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOc2cccnc2)s1 ZINC000114497862 596042400 /nfs/dbraw/zinc/04/24/00/596042400.db2.gz ANDRTWPQKVLKGU-UHFFFAOYSA-N -1 1 329.359 1.409 20 5 EDBDMM O=C(c1cc(F)ccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342066 596043641 /nfs/dbraw/zinc/04/36/41/596043641.db2.gz GHMJPHNVHQJQSX-UHFFFAOYSA-N -1 1 336.279 1.842 20 5 EDBDMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000738372871 599269641 /nfs/dbraw/zinc/26/96/41/599269641.db2.gz XCTGCQSJMRXTGN-UHFFFAOYSA-N -1 1 332.707 1.638 20 5 EDBDMM C[C@@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000294451037 201346522 /nfs/dbraw/zinc/34/65/22/201346522.db2.gz FVFRYLQDYVECMB-NOZJJQNGSA-N -1 1 332.353 1.563 20 5 EDBDMM O=C([O-])[C@@H]1Cn2c(=O)[nH]nc2CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000424379943 304154422 /nfs/dbraw/zinc/15/44/22/304154422.db2.gz WFEYLAVWAHVXEU-VIFPVBQESA-N -1 1 339.695 1.019 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H](O)C(F)(F)F ZINC000228544359 139023135 /nfs/dbraw/zinc/02/31/35/139023135.db2.gz LSUHSNMCKGFNRC-QMMMGPOBSA-N -1 1 348.686 1.450 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(C2CCOCC2)CC1 ZINC000182075714 296187240 /nfs/dbraw/zinc/18/72/40/296187240.db2.gz YDHFDIZAIWZHMB-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM O=C(NCCc1ccc2c(c1)CCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000172041933 206783461 /nfs/dbraw/zinc/78/34/61/206783461.db2.gz NEHIRLWJIZBFEG-UHFFFAOYSA-N -1 1 329.312 1.603 20 5 EDBDMM O=C([O-])C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000262752443 139301261 /nfs/dbraw/zinc/30/12/61/139301261.db2.gz JOFPBUJJXCRIEJ-UHFFFAOYSA-N -1 1 348.315 1.082 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](OC)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000339045114 141947449 /nfs/dbraw/zinc/94/74/49/141947449.db2.gz QYAHNVBZEQRDFR-JTQLQIEISA-N -1 1 334.398 1.151 20 5 EDBDMM CO[C@H]1C[C@H](c2nnc[nH]2)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000345511392 143100239 /nfs/dbraw/zinc/10/02/39/143100239.db2.gz OCPMERJWAKGVNY-NWDGAFQWSA-N -1 1 333.304 1.021 20 5 EDBDMM CCOc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000345545116 143103959 /nfs/dbraw/zinc/10/39/59/143103959.db2.gz SGHCYLDHUKQPAU-UHFFFAOYSA-N -1 1 346.347 1.706 20 5 EDBDMM C[C@@](CO)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000346330314 143192600 /nfs/dbraw/zinc/19/26/00/143192600.db2.gz GXOCNUVXKNXWJW-INIZCTEOSA-N -1 1 331.328 1.375 20 5 EDBDMM COC1(c2ccccc2)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000377109464 292150210 /nfs/dbraw/zinc/15/02/10/292150210.db2.gz XWPBYSBLUDPOJB-UHFFFAOYSA-N -1 1 329.312 1.693 20 5 EDBDMM O=C(NCc1ccnc(OC(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000358267255 151321813 /nfs/dbraw/zinc/32/18/13/151321813.db2.gz WXTRVFWZCNJQOY-UHFFFAOYSA-N -1 1 340.242 1.622 20 5 EDBDMM Cn1nc2c(c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCCC2 ZINC000360831367 152223919 /nfs/dbraw/zinc/22/39/19/152223919.db2.gz IFUOTAMFHBIDAI-UHFFFAOYSA-N -1 1 331.332 1.238 20 5 EDBDMM COCCOc1ncccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274994544 268259776 /nfs/dbraw/zinc/25/97/76/268259776.db2.gz NDEPSUGIVNYGAJ-UHFFFAOYSA-N -1 1 348.315 1.046 20 5 EDBDMM O=c1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)[nH][n-]1 ZINC000285747217 274636736 /nfs/dbraw/zinc/63/67/36/274636736.db2.gz UMBQMFXPCPYPMX-SNVBAGLBSA-N -1 1 340.343 1.938 20 5 EDBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1 ZINC000292024111 289241362 /nfs/dbraw/zinc/24/13/62/289241362.db2.gz XLPKNLRWUUVXGD-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000456143629 447309051 /nfs/dbraw/zinc/30/90/51/447309051.db2.gz DCAHQDGSABGZSG-MNOVXSKESA-N -1 1 337.332 1.547 20 5 EDBDMM C[C@H]1CN(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)CCO1 ZINC000068095656 300237000 /nfs/dbraw/zinc/23/70/00/300237000.db2.gz XYVIIVLJLKPOIQ-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OCC(=O)N(C)C)c1 ZINC000299158878 303589833 /nfs/dbraw/zinc/58/98/33/303589833.db2.gz XQWXILUTKRMMRF-UHFFFAOYSA-N -1 1 346.343 1.951 20 5 EDBDMM CCOC(=O)Cn1cnc([N-]C(=O)c2cc(OC)ccc2[N+](=O)[O-])n1 ZINC000425112416 304948613 /nfs/dbraw/zinc/94/86/13/304948613.db2.gz YBNQJXNMXDTZPH-UHFFFAOYSA-N -1 1 349.303 1.010 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000515967231 305730394 /nfs/dbraw/zinc/73/03/94/305730394.db2.gz ULDWWLSARMVVDX-VIFPVBQESA-N -1 1 349.265 1.879 20 5 EDBDMM COc1ccc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000537125360 306026319 /nfs/dbraw/zinc/02/63/19/306026319.db2.gz LAYSCLORYXYXFG-LLVKDONJSA-N -1 1 346.347 1.065 20 5 EDBDMM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016498155 441226217 /nfs/dbraw/zinc/22/62/17/441226217.db2.gz ROQBGSXTHBROOX-UHFFFAOYSA-N -1 1 331.284 1.696 20 5 EDBDMM CN(CC(=O)NCc1n[n-]c(=S)n1C)c1ccccc1[N+](=O)[O-] ZINC000080026542 442108092 /nfs/dbraw/zinc/10/80/92/442108092.db2.gz LYFLGGPFJNVUSU-UHFFFAOYSA-N -1 1 336.377 1.138 20 5 EDBDMM CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000178776480 442482084 /nfs/dbraw/zinc/48/20/84/442482084.db2.gz VPIPKIIQPKOLNF-VIFPVBQESA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000187204704 442660491 /nfs/dbraw/zinc/66/04/91/442660491.db2.gz DEEMBWKDTMKNFV-BXKDBHETSA-N -1 1 329.312 1.990 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000182082713 442734368 /nfs/dbraw/zinc/73/43/68/442734368.db2.gz YBFWDMYFKBIWMJ-LBPRGKRZSA-N -1 1 335.360 1.095 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](O)C1 ZINC000188333921 442740722 /nfs/dbraw/zinc/74/07/22/442740722.db2.gz CWANAXRHAFBZDO-PSASIEDQSA-N -1 1 334.781 1.688 20 5 EDBDMM CC(C)c1ccc(C(=O)NCCCc2nc(=O)[n-][nH]2)cc1[N+](=O)[O-] ZINC000189740028 443000574 /nfs/dbraw/zinc/00/05/74/443000574.db2.gz NNSRDXMQRFISEP-UHFFFAOYSA-N -1 1 333.348 1.492 20 5 EDBDMM Cc1cnn(C)c1S(=O)(=O)[N-]c1c(C)c([N+](=O)[O-])ccc1F ZINC000285218462 443899482 /nfs/dbraw/zinc/89/94/82/443899482.db2.gz XPYONHJHBNDAGV-UHFFFAOYSA-N -1 1 328.325 1.885 20 5 EDBDMM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000277076136 443903509 /nfs/dbraw/zinc/90/35/09/443903509.db2.gz OALUDGFEFLWORP-JGVFFNPUSA-N -1 1 334.336 1.818 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000540941680 320766328 /nfs/dbraw/zinc/76/63/28/320766328.db2.gz HWYXJDGFVWMPBJ-UHFFFAOYSA-N -1 1 348.793 1.887 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000541392156 320770407 /nfs/dbraw/zinc/77/04/07/320770407.db2.gz DVGXMUNMHZSYAT-YPMHNXCESA-N -1 1 327.362 1.226 20 5 EDBDMM CCOC(=O)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)CC ZINC000278079131 444089959 /nfs/dbraw/zinc/08/99/59/444089959.db2.gz GZCYGZIEQHNPSK-GZMMTYOYSA-N -1 1 325.321 1.403 20 5 EDBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000289460259 444149993 /nfs/dbraw/zinc/14/99/93/444149993.db2.gz GUSTXJJXDSCQBX-ZDUSSCGKSA-N -1 1 346.380 1.809 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000289462822 444150970 /nfs/dbraw/zinc/15/09/70/444150970.db2.gz HCSISUVCYWCFTI-UHFFFAOYSA-N -1 1 342.402 1.628 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000331244203 444456176 /nfs/dbraw/zinc/45/61/76/444456176.db2.gz ZIVUOWDZDDANOA-GMTAPVOTSA-N -1 1 330.410 1.914 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C)s2)c([N+](=O)[O-])n1 ZINC000339049577 445009335 /nfs/dbraw/zinc/00/93/35/445009335.db2.gz QAACQZZTSRUIHP-UHFFFAOYSA-N -1 1 330.391 1.660 20 5 EDBDMM O=C(N[C@@H]1CCCO[C@H]1c1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000337562685 445138706 /nfs/dbraw/zinc/13/87/06/445138706.db2.gz OBJXBFLZMWHWTD-OCCSQVGLSA-N -1 1 344.327 1.741 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000348299733 445248228 /nfs/dbraw/zinc/24/82/28/445248228.db2.gz ZTSDRZBHBSLOHQ-UHFFFAOYSA-N -1 1 325.288 1.075 20 5 EDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000359802379 445436148 /nfs/dbraw/zinc/43/61/48/445436148.db2.gz SSFFRULJFIADTB-QMMMGPOBSA-N -1 1 336.377 1.640 20 5 EDBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])o1 ZINC000357146438 445453650 /nfs/dbraw/zinc/45/36/50/445453650.db2.gz DDEONZQQUFMUHP-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)o1 ZINC000357231286 445495011 /nfs/dbraw/zinc/49/50/11/445495011.db2.gz FGIDYPLXWOLTKV-UHFFFAOYSA-N -1 1 340.361 1.636 20 5 EDBDMM O=C1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCCCN12 ZINC000369320430 446071080 /nfs/dbraw/zinc/07/10/80/446071080.db2.gz XYZLBPQKTYWYGN-RKDXNWHRSA-N -1 1 345.402 1.088 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCNCC2(F)F)s1 ZINC000420455698 446634123 /nfs/dbraw/zinc/63/41/23/446634123.db2.gz ZUOMIAZHDUSTQI-SSDOTTSWSA-N -1 1 341.361 1.179 20 5 EDBDMM COc1cccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000425307543 447105018 /nfs/dbraw/zinc/10/50/18/447105018.db2.gz UILVTIWLAYBXTC-SECBINFHSA-N -1 1 348.315 1.712 20 5 EDBDMM O=C([O-])c1cn([C@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3)C2)nn1 ZINC000575875541 447920373 /nfs/dbraw/zinc/92/03/73/447920373.db2.gz IPYQAWFAFAVKCJ-ZDUSSCGKSA-N -1 1 331.332 1.722 20 5 EDBDMM COc1cccc([C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)OC)c1 ZINC000600165494 449223076 /nfs/dbraw/zinc/22/30/76/449223076.db2.gz RBPLDXFRWHJJPV-AWEZNQCLSA-N -1 1 347.327 1.822 20 5 EDBDMM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000598237744 449304751 /nfs/dbraw/zinc/30/47/51/449304751.db2.gz OGOVXLAOBRYIKP-AAEUAGOBSA-N -1 1 345.359 1.570 20 5 EDBDMM Cc1ccnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 ZINC000598734308 449568935 /nfs/dbraw/zinc/56/89/35/449568935.db2.gz FOCPDGYCCBMIMT-UHFFFAOYSA-N -1 1 336.373 1.789 20 5 EDBDMM Cc1cccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000600869502 449577219 /nfs/dbraw/zinc/57/72/19/449577219.db2.gz MOJDSTVLDURMNH-LBPRGKRZSA-N -1 1 335.360 1.524 20 5 EDBDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc([N+](=O)[O-])c1 ZINC000600868607 449577575 /nfs/dbraw/zinc/57/75/75/449577575.db2.gz IGECTGYRVHAJRA-LBPRGKRZSA-N -1 1 335.360 1.524 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000600870725 449578241 /nfs/dbraw/zinc/57/82/41/449578241.db2.gz ZDZUPYHIOMYOHD-CYBMUJFWSA-N -1 1 349.387 1.833 20 5 EDBDMM O=C(NCc1nn[n-]n1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000609489071 450038275 /nfs/dbraw/zinc/03/82/75/450038275.db2.gz HHMPUUSVFZPQGK-UHFFFAOYSA-N -1 1 339.315 1.782 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)on1 ZINC000595344408 450057803 /nfs/dbraw/zinc/05/78/03/450057803.db2.gz DPBPBFNFSWZPBG-UHFFFAOYSA-N -1 1 341.345 1.687 20 5 EDBDMM C[C@@H]1COCCN1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000597679209 450189940 /nfs/dbraw/zinc/18/99/40/450189940.db2.gz PUVPOEMALRNOHQ-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CCO[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352983965 535760004 /nfs/dbraw/zinc/76/00/04/535760004.db2.gz PFHKSAYCVHODHH-RKDXNWHRSA-N -1 1 336.391 1.129 20 5 EDBDMM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000726600059 578351005 /nfs/dbraw/zinc/35/10/05/578351005.db2.gz SCSWQTRILAPJTP-QMMMGPOBSA-N -1 1 349.390 1.165 20 5 EDBDMM C[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000759793747 580015236 /nfs/dbraw/zinc/01/52/36/580015236.db2.gz SFNPEBDXZIRYRM-VHSXEESVSA-N -1 1 332.353 1.827 20 5 EDBDMM Cc1[nH]nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000738249269 579177588 /nfs/dbraw/zinc/17/75/88/579177588.db2.gz RMTCOCPNLNAJKB-LLVKDONJSA-N -1 1 330.300 1.278 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000738384967 579188700 /nfs/dbraw/zinc/18/87/00/579188700.db2.gz IYXVAPWTFSZEOS-UHFFFAOYSA-N -1 1 330.753 1.758 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])[nH]n1 ZINC000738384967 579188702 /nfs/dbraw/zinc/18/87/02/579188702.db2.gz IYXVAPWTFSZEOS-UHFFFAOYSA-N -1 1 330.753 1.758 20 5 EDBDMM O=C([O-])[C@@H]1CCCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000739582815 579221321 /nfs/dbraw/zinc/22/13/21/579221321.db2.gz ILBASKDMGCLIEB-LLVKDONJSA-N -1 1 332.316 1.941 20 5 EDBDMM O=C([O-])/C=C/c1ccc(N2CCN(CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000739627193 579228041 /nfs/dbraw/zinc/22/80/41/579228041.db2.gz XHOQCMATAVWJOS-GQCTYLIASA-N -1 1 349.387 1.587 20 5 EDBDMM O=C([O-])c1ccoc1CN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000740249274 579305470 /nfs/dbraw/zinc/30/54/70/579305470.db2.gz VKLWXUFJZSHOGE-JTQLQIEISA-N -1 1 332.316 1.967 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)Cn2cc([N+](=O)[O-])cn2)c1 ZINC000744663890 579519425 /nfs/dbraw/zinc/51/94/25/579519425.db2.gz QUYJDNAAZMZQOL-UHFFFAOYSA-N -1 1 333.300 1.485 20 5 EDBDMM CCCCC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC ZINC000751986355 579832078 /nfs/dbraw/zinc/83/20/78/579832078.db2.gz BZQDAYNZHLSOMD-JTQLQIEISA-N -1 1 345.377 1.390 20 5 EDBDMM COc1c(C(=O)[N-]N2Cc3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000793800181 580856738 /nfs/dbraw/zinc/85/67/38/580856738.db2.gz CPMJTKYIFHFDBZ-UHFFFAOYSA-N -1 1 327.296 1.904 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(CO)CC2)cc1Cl ZINC000798226537 580991405 /nfs/dbraw/zinc/99/14/05/580991405.db2.gz ANWVUENVWDYRON-UHFFFAOYSA-N -1 1 338.744 1.438 20 5 EDBDMM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)(F)F ZINC000798403483 580996343 /nfs/dbraw/zinc/99/63/43/580996343.db2.gz CSYBSSAHNPCJJL-UHFFFAOYSA-N -1 1 332.282 1.885 20 5 EDBDMM C[C@@H]1COCCN1C1CCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000910385080 592856531 /nfs/dbraw/zinc/85/65/31/592856531.db2.gz WBQQORKMXODIRE-GFCCVEGCSA-N -1 1 349.387 1.983 20 5 EDBDMM C[C@H](C[N+](=O)[O-])OC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000814040296 593570306 /nfs/dbraw/zinc/57/03/06/593570306.db2.gz FKBBJRQNGJEJII-MRVPVSSYSA-N -1 1 334.350 1.178 20 5 EDBDMM COCCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814973182 593608152 /nfs/dbraw/zinc/60/81/52/593608152.db2.gz NJKQPQIPGUTEOG-UHFFFAOYSA-N -1 1 326.733 1.702 20 5 EDBDMM O=C([O-])C[N@@H+]1CCC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000819513096 593757385 /nfs/dbraw/zinc/75/73/85/593757385.db2.gz DWBIHVCUNCDQEA-NSHDSACASA-N -1 1 347.327 1.782 20 5 EDBDMM O=C([O-])C[N@H+]1CCC[C@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000819513096 593757386 /nfs/dbraw/zinc/75/73/86/593757386.db2.gz DWBIHVCUNCDQEA-NSHDSACASA-N -1 1 347.327 1.782 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]2O)c(Cl)cc1Cl ZINC000819906734 593776154 /nfs/dbraw/zinc/77/61/54/593776154.db2.gz JLYSZYSUTASYFZ-VXNVDRBHSA-N -1 1 341.172 1.703 20 5 EDBDMM CC1(C)C[C@](C)([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)O1 ZINC000820733852 593875143 /nfs/dbraw/zinc/87/51/43/593875143.db2.gz AFMSTFVZHNAIMZ-ZDUSSCGKSA-N -1 1 346.336 1.496 20 5 EDBDMM CCOC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000821691600 593916004 /nfs/dbraw/zinc/91/60/04/593916004.db2.gz HFCOSQOKFCCURM-UHFFFAOYSA-N -1 1 341.301 1.262 20 5 EDBDMM CCCc1nnc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000821143372 593976358 /nfs/dbraw/zinc/97/63/58/593976358.db2.gz TVKNEGVGKRXUNY-UHFFFAOYSA-N -1 1 334.321 1.657 20 5 EDBDMM CCCc1nnc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000821143372 593976359 /nfs/dbraw/zinc/97/63/59/593976359.db2.gz TVKNEGVGKRXUNY-UHFFFAOYSA-N -1 1 334.321 1.657 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC(CNC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000824453466 594015651 /nfs/dbraw/zinc/01/56/51/594015651.db2.gz LQTAPSPLYYDEEZ-UHFFFAOYSA-N -1 1 339.352 1.561 20 5 EDBDMM Cc1nn(C)c(C)c1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822492209 594056609 /nfs/dbraw/zinc/05/66/09/594056609.db2.gz VMGYMTFNBRKVQZ-UHFFFAOYSA-N -1 1 343.351 1.157 20 5 EDBDMM Cc1nn(C)c(C)c1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822492209 594056611 /nfs/dbraw/zinc/05/66/11/594056611.db2.gz VMGYMTFNBRKVQZ-UHFFFAOYSA-N -1 1 343.351 1.157 20 5 EDBDMM Cc1noc(C)c1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822522033 594062016 /nfs/dbraw/zinc/06/20/16/594062016.db2.gz BNOZDYHTMRIMTH-UHFFFAOYSA-N -1 1 330.308 1.411 20 5 EDBDMM Cc1noc(C)c1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822522033 594062018 /nfs/dbraw/zinc/06/20/18/594062018.db2.gz BNOZDYHTMRIMTH-UHFFFAOYSA-N -1 1 330.308 1.411 20 5 EDBDMM Cn1cc([C@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000822674304 594083667 /nfs/dbraw/zinc/08/36/67/594083667.db2.gz QCFFQGPUHUQSII-LLVKDONJSA-N -1 1 341.335 1.245 20 5 EDBDMM Cn1cc([C@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000822674304 594083669 /nfs/dbraw/zinc/08/36/69/594083669.db2.gz QCFFQGPUHUQSII-LLVKDONJSA-N -1 1 341.335 1.245 20 5 EDBDMM O=C(CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1)OC1CCCCC1 ZINC000823014861 594137590 /nfs/dbraw/zinc/13/75/90/594137590.db2.gz WTKGQCJKOBOXGY-UHFFFAOYSA-N -1 1 347.335 1.458 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C(F)F)CC1 ZINC000823615026 594221485 /nfs/dbraw/zinc/22/14/85/594221485.db2.gz XYMNJMWKZMEFBZ-UHFFFAOYSA-N -1 1 325.279 1.651 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(C(F)F)CC1 ZINC000823615026 594221486 /nfs/dbraw/zinc/22/14/86/594221486.db2.gz XYMNJMWKZMEFBZ-UHFFFAOYSA-N -1 1 325.279 1.651 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CCCOC2)cc1F ZINC000867050884 594300095 /nfs/dbraw/zinc/30/00/95/594300095.db2.gz JIANZPMWYDEOFI-ZDUSSCGKSA-N -1 1 332.353 1.890 20 5 EDBDMM C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(=O)[O-] ZINC000828461945 594426966 /nfs/dbraw/zinc/42/69/66/594426966.db2.gz FRZJYWQPLRFXIW-BXKDBHETSA-N -1 1 332.316 1.797 20 5 EDBDMM C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C(=O)[O-] ZINC000828466018 594428194 /nfs/dbraw/zinc/42/81/94/594428194.db2.gz ZZZAVXLPGJACFL-JOYOIKCWSA-N -1 1 332.316 1.797 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H](OC(F)F)C1 ZINC000826497634 594502337 /nfs/dbraw/zinc/50/23/37/594502337.db2.gz NXPPQMDVGMOQED-ZETCQYMHSA-N -1 1 341.278 1.378 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](OC(F)F)C1 ZINC000826497634 594502339 /nfs/dbraw/zinc/50/23/39/594502339.db2.gz NXPPQMDVGMOQED-ZETCQYMHSA-N -1 1 341.278 1.378 20 5 EDBDMM CC(C)n1ncnc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000841521465 594914284 /nfs/dbraw/zinc/91/42/84/594914284.db2.gz PJYANVYVEVDORX-UHFFFAOYSA-N -1 1 331.379 1.307 20 5 EDBDMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000841534607 594916970 /nfs/dbraw/zinc/91/69/70/594916970.db2.gz KOPRKWUAVZCMTK-LBPRGKRZSA-N -1 1 342.373 1.008 20 5 EDBDMM CC[C@@]1([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000867183926 594984175 /nfs/dbraw/zinc/98/41/75/594984175.db2.gz PHYZWYRWLFDEHB-CYBMUJFWSA-N -1 1 332.353 1.890 20 5 EDBDMM C[C@@H](O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000851831142 595939978 /nfs/dbraw/zinc/93/99/78/595939978.db2.gz NIWKOBCUCNOAQC-ZCFIWIBFSA-N -1 1 338.744 1.579 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000866786453 596345803 /nfs/dbraw/zinc/34/58/03/596345803.db2.gz SRKKPIUHHWWESI-SSDOTTSWSA-N -1 1 348.324 1.820 20 5 EDBDMM CC[C@@H](C)[C@@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119210895 596479860 /nfs/dbraw/zinc/47/98/60/596479860.db2.gz BYJWRQBQMFNENE-RNCFNFMXSA-N -1 1 334.369 1.809 20 5 EDBDMM O=C(Cn1nccc1[N+](=O)[O-])[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000128001436 597726539 /nfs/dbraw/zinc/72/65/39/597726539.db2.gz DWAJAZKQQQMXFK-UHFFFAOYSA-N -1 1 340.242 1.349 20 5 EDBDMM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000557576371 306229852 /nfs/dbraw/zinc/22/98/52/306229852.db2.gz GKOYZPDKCUZUCG-MRVPVSSYSA-N -1 1 336.739 1.781 20 5 EDBDMM Cn1ncc2c1[n-]cc(C(=O)NCCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000132606197 138379617 /nfs/dbraw/zinc/37/96/17/138379617.db2.gz WVFLDXQWOJSUFI-UHFFFAOYSA-N -1 1 341.327 1.555 20 5 EDBDMM CN(C)C(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101572562 204011142 /nfs/dbraw/zinc/01/11/42/204011142.db2.gz MOXGFSVYBOQWCP-UHFFFAOYSA-N -1 1 335.769 1.005 20 5 EDBDMM C[C@H]([C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1 ZINC000104757441 206427619 /nfs/dbraw/zinc/42/76/19/206427619.db2.gz ORPORWYSZCSSKR-VHSXEESVSA-N -1 1 349.434 1.044 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000272054227 140393383 /nfs/dbraw/zinc/39/33/83/140393383.db2.gz NPSOQUGWKGKNSK-GXSJLCMTSA-N -1 1 332.353 1.970 20 5 EDBDMM COC(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1[N+](=O)[O-] ZINC000416421627 304317439 /nfs/dbraw/zinc/31/74/39/304317439.db2.gz DXBBJBZSYOHRJN-UHFFFAOYSA-N -1 1 342.251 1.222 20 5 EDBDMM O=C(CCNc1ccccc1[N+](=O)[O-])NC1(c2nn[n-]n2)CCCC1 ZINC000345536470 143103146 /nfs/dbraw/zinc/10/31/46/143103146.db2.gz JKBISLQIHTVYMM-UHFFFAOYSA-N -1 1 345.363 1.496 20 5 EDBDMM O=C(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)Nc1cccc(F)c1 ZINC000353348984 149375787 /nfs/dbraw/zinc/37/57/87/149375787.db2.gz MURUXAHTMXNEEE-UHFFFAOYSA-N -1 1 334.263 1.203 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000378357568 158150435 /nfs/dbraw/zinc/15/04/35/158150435.db2.gz CGFZYGXNZDNCQW-NSHDSACASA-N -1 1 346.347 1.247 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C[C@H](C)O ZINC000248480661 287174702 /nfs/dbraw/zinc/17/47/02/287174702.db2.gz RLBKQWIXIIBHJO-NWDGAFQWSA-N -1 1 337.376 1.218 20 5 EDBDMM CCc1cnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000274670693 268180734 /nfs/dbraw/zinc/18/07/34/268180734.db2.gz HYSWENIYLHXTSO-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM CCC(O)(CC)CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000276237927 268410866 /nfs/dbraw/zinc/41/08/66/268410866.db2.gz OSNLBMWUNJUELE-UHFFFAOYSA-N -1 1 334.369 1.953 20 5 EDBDMM Cc1cc(C)cc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000283131323 273781780 /nfs/dbraw/zinc/78/17/80/273781780.db2.gz WBKZFWJJHNZKNP-CQSZACIVSA-N -1 1 331.328 1.776 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1(O)CCC1 ZINC000283956347 274025726 /nfs/dbraw/zinc/02/57/26/274025726.db2.gz MXCHKDRUVRLXRM-UHFFFAOYSA-N -1 1 334.781 1.832 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(CC(F)F)c2)n1 ZINC000287493268 288250267 /nfs/dbraw/zinc/25/02/67/288250267.db2.gz YIOOUTFUJJAIPO-UHFFFAOYSA-N -1 1 327.247 1.982 20 5 EDBDMM NC(=O)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152159726 303328379 /nfs/dbraw/zinc/32/83/79/303328379.db2.gz MJMYQOVBQAMZDF-WCBMZHEXSA-N -1 1 345.352 1.056 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H](O)C(F)F ZINC000451703584 305363245 /nfs/dbraw/zinc/36/32/45/305363245.db2.gz BHLDHTWFPAORGC-SVGQVSJJSA-N -1 1 330.334 1.339 20 5 EDBDMM C[C@H]1CN(C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CCO1 ZINC000164582840 442199400 /nfs/dbraw/zinc/19/94/00/442199400.db2.gz BKCFJAXDKMSULA-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM CCN1CCN([C@@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000133485184 442420560 /nfs/dbraw/zinc/42/05/60/442420560.db2.gz FSDIEFFWHUZJNM-CYBMUJFWSA-N -1 1 348.403 1.152 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000182082731 442734299 /nfs/dbraw/zinc/73/42/99/442734299.db2.gz YBFWDMYFKBIWMJ-GFCCVEGCSA-N -1 1 335.360 1.095 20 5 EDBDMM O=c1nc([C@H]2CCCCN2CCOc2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000289265851 444091857 /nfs/dbraw/zinc/09/18/57/444091857.db2.gz DLVLHSDKXHTYBN-CYBMUJFWSA-N -1 1 333.348 1.612 20 5 EDBDMM C[C@H](CCCO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295203761 444170042 /nfs/dbraw/zinc/17/00/42/444170042.db2.gz FOZWFXYFBBJVEC-SECBINFHSA-N -1 1 336.797 1.935 20 5 EDBDMM Cn1ccnc1[C@H]1N(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1(C)C ZINC000295952816 444195706 /nfs/dbraw/zinc/19/57/06/444195706.db2.gz RAIKRTOSYGNLPM-LLVKDONJSA-N -1 1 331.332 1.652 20 5 EDBDMM O=C(NCc1nc2ccccc2c(=O)[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000577048808 321618259 /nfs/dbraw/zinc/61/82/59/321618259.db2.gz HBWNMVAVIDVKFJ-UHFFFAOYSA-N -1 1 341.283 1.274 20 5 EDBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)c1csc(=NC2CC2)[n-]1 ZINC000340674988 444477777 /nfs/dbraw/zinc/47/77/77/444477777.db2.gz YWSCFNVMZIYZSK-UHFFFAOYSA-N -1 1 344.356 1.598 20 5 EDBDMM NC(=O)c1n[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)cc21 ZINC000340959324 444598431 /nfs/dbraw/zinc/59/84/31/444598431.db2.gz POLIUXAIWSEREL-UHFFFAOYSA-N -1 1 341.283 1.528 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c([N+](=O)[O-])n1 ZINC000339040256 445002894 /nfs/dbraw/zinc/00/28/94/445002894.db2.gz FANQJRUGMHDEHV-VIFPVBQESA-N -1 1 325.350 1.246 20 5 EDBDMM COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1OCC(N)=O ZINC000343206691 445135917 /nfs/dbraw/zinc/13/59/17/445135917.db2.gz NNBPUWZSDQVAHM-UHFFFAOYSA-N -1 1 334.288 1.048 20 5 EDBDMM NC(=O)c1n[nH]c2ccc(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])cc21 ZINC000354530174 445281878 /nfs/dbraw/zinc/28/18/78/445281878.db2.gz VMMBQORFZILISM-UHFFFAOYSA-N -1 1 341.283 1.528 20 5 EDBDMM O=C(N[C@@H](CO)Cc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361484396 445782365 /nfs/dbraw/zinc/78/23/65/445782365.db2.gz JAJKQDQPIAWEJQ-GFCCVEGCSA-N -1 1 335.291 1.168 20 5 EDBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCO2)cc([N+](=O)[O-])c1 ZINC000361983378 446127501 /nfs/dbraw/zinc/12/75/01/446127501.db2.gz IEHXHYYRKONZOO-NSHDSACASA-N -1 1 330.318 1.214 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CC3(CCC3)C2)s1 ZINC000433363267 446562912 /nfs/dbraw/zinc/56/29/12/446562912.db2.gz LLBSQVHOAJEHTF-UHFFFAOYSA-N -1 1 346.430 1.877 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377415883 447121052 /nfs/dbraw/zinc/12/10/52/447121052.db2.gz ZUCRKQLWQZOKTJ-VIFPVBQESA-N -1 1 337.723 1.633 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000444967695 447150963 /nfs/dbraw/zinc/15/09/63/447150963.db2.gz RJQHWMQBSANJNF-IONNQARKSA-N -1 1 335.238 1.223 20 5 EDBDMM Cn1cc([C@H]2C[C@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)cn1 ZINC000552791847 447958566 /nfs/dbraw/zinc/95/85/66/447958566.db2.gz KPZXBJFUPWJPCN-DGCLKSJQSA-N -1 1 347.331 1.079 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000571602968 448176520 /nfs/dbraw/zinc/17/65/20/448176520.db2.gz QVGHKWJQRHEVQH-UHFFFAOYSA-N -1 1 340.361 1.687 20 5 EDBDMM CC[C@@H](C)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000579246035 448753037 /nfs/dbraw/zinc/75/30/37/448753037.db2.gz GZAKAMAWVLAGDD-PSASIEDQSA-N -1 1 325.321 1.403 20 5 EDBDMM Cc1cc(N2CC[C@@H](CN3CCOCC3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568094697 448814256 /nfs/dbraw/zinc/81/42/56/448814256.db2.gz MRCVMGROYIIZAP-ZDUSSCGKSA-N -1 1 349.387 1.760 20 5 EDBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@H](c2ccco2)N(C)C)n1 ZINC000579597320 448830245 /nfs/dbraw/zinc/83/02/45/448830245.db2.gz JBGAUPDQDVXWGE-LLVKDONJSA-N -1 1 334.332 2.304 20 5 EDBDMM O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590428391 449156382 /nfs/dbraw/zinc/15/63/82/449156382.db2.gz NQOFLOVHHAIXCP-WRWORJQWSA-N -1 1 335.238 1.271 20 5 EDBDMM Cc1cn2c(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)c(C)nc2s1 ZINC000590403618 449150044 /nfs/dbraw/zinc/15/00/44/449150044.db2.gz XINRLNRQPHPCCV-UHFFFAOYSA-N -1 1 347.356 1.951 20 5 EDBDMM COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000598064160 449225771 /nfs/dbraw/zinc/22/57/71/449225771.db2.gz MNLPASREBDYLME-ZDUSSCGKSA-N -1 1 347.327 1.822 20 5 EDBDMM Cc1[nH]nc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000595998771 449305596 /nfs/dbraw/zinc/30/55/96/449305596.db2.gz YAZORLUNGINMEQ-LLVKDONJSA-N -1 1 330.300 1.451 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000594480244 449544929 /nfs/dbraw/zinc/54/49/29/449544929.db2.gz OHFILQZMOVINSR-MGCOHNPYSA-N -1 1 346.409 1.436 20 5 EDBDMM Cc1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600867907 449577273 /nfs/dbraw/zinc/57/72/73/449577273.db2.gz DBQRJYKWVLYKAH-GFCCVEGCSA-N -1 1 335.360 1.524 20 5 EDBDMM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598777592 449596243 /nfs/dbraw/zinc/59/62/43/449596243.db2.gz YWTVMXYZXNRIGS-ABAIWWIYSA-N -1 1 337.332 1.547 20 5 EDBDMM C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595252206 449977168 /nfs/dbraw/zinc/97/71/68/449977168.db2.gz UWZJWYWXLFLXSL-NHYWBVRUSA-N -1 1 332.316 1.844 20 5 EDBDMM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000597610295 450144597 /nfs/dbraw/zinc/14/45/97/450144597.db2.gz KWONPURDENQWPJ-QMMMGPOBSA-N -1 1 334.288 1.409 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000619871646 450348374 /nfs/dbraw/zinc/34/83/74/450348374.db2.gz RGVRDFMNYRKQNA-AWEZNQCLSA-N -1 1 349.387 1.627 20 5 EDBDMM C[C@H](CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000183396287 534011317 /nfs/dbraw/zinc/01/13/17/534011317.db2.gz SFXKJUQQUQEXBT-LLVKDONJSA-N -1 1 347.379 1.562 20 5 EDBDMM CCc1[nH]nc(C(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1[N+](=O)[O-] ZINC000737246867 579059644 /nfs/dbraw/zinc/05/96/44/579059644.db2.gz ZBLDJPAHPBKXDQ-UHFFFAOYSA-N -1 1 330.300 1.735 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@@H](C)C(=O)[O-] ZINC000737906199 579138585 /nfs/dbraw/zinc/13/85/85/579138585.db2.gz XSHMCAGMSJXJSB-SECBINFHSA-N -1 1 325.321 1.194 20 5 EDBDMM COc1c(C)cnc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000747900145 579662301 /nfs/dbraw/zinc/66/23/01/579662301.db2.gz FKRSAQNUKTUOFI-UHFFFAOYSA-N -1 1 332.316 1.646 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000751462660 579808568 /nfs/dbraw/zinc/80/85/68/579808568.db2.gz FVNRBCZXPSFUDT-LBPRGKRZSA-N -1 1 337.357 1.392 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC000754815258 579913307 /nfs/dbraw/zinc/91/33/07/579913307.db2.gz DIOGKDHAQVLPLX-JTQLQIEISA-N -1 1 334.781 1.688 20 5 EDBDMM COC(=O)c1ccc(C(=O)Oc2ccc(C(=O)OC)c([N+](=O)[O-])c2)[n-]1 ZINC000797083927 580967910 /nfs/dbraw/zinc/96/79/10/580967910.db2.gz QEZLTXVXVRGPMG-UHFFFAOYSA-N -1 1 348.267 1.715 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000907767833 592784057 /nfs/dbraw/zinc/78/40/57/592784057.db2.gz RXTQKLGROTYZMH-ZZFAZENKSA-N -1 1 344.776 1.702 20 5 EDBDMM COC(=O)c1ccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)nc1 ZINC000803398115 593326117 /nfs/dbraw/zinc/32/61/17/593326117.db2.gz LUBQSOHSSDFAPB-UHFFFAOYSA-N -1 1 332.268 1.839 20 5 EDBDMM C[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017565 593610059 /nfs/dbraw/zinc/61/00/59/593610059.db2.gz ONUYXROOLCRUCU-ZCFIWIBFSA-N -1 1 326.733 1.437 20 5 EDBDMM CCn1nc(C)c(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000819890463 593774376 /nfs/dbraw/zinc/77/43/76/593774376.db2.gz AMGJGEKVKLTKGX-UHFFFAOYSA-N -1 1 339.377 1.302 20 5 EDBDMM COc1ccc(C=O)cc1Oc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821786980 593939442 /nfs/dbraw/zinc/93/94/42/593939442.db2.gz MURPESRTIMNIHR-UHFFFAOYSA-N -1 1 342.271 1.783 20 5 EDBDMM COc1ccc(C=O)cc1Oc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821786980 593939443 /nfs/dbraw/zinc/93/94/43/593939443.db2.gz MURPESRTIMNIHR-UHFFFAOYSA-N -1 1 342.271 1.783 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453803 594016148 /nfs/dbraw/zinc/01/61/48/594016148.db2.gz XFWNFMSUHNNOEN-MRVPVSSYSA-N -1 1 325.325 1.314 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccsc1 ZINC000823619833 594221887 /nfs/dbraw/zinc/22/18/87/594221887.db2.gz BUCAHBZQUSTJQN-VIFPVBQESA-N -1 1 333.333 1.377 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccsc1 ZINC000823619833 594221888 /nfs/dbraw/zinc/22/18/88/594221888.db2.gz BUCAHBZQUSTJQN-VIFPVBQESA-N -1 1 333.333 1.377 20 5 EDBDMM O=[N+]([O-])c1cnn(CCNc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000823652254 594224858 /nfs/dbraw/zinc/22/48/58/594224858.db2.gz XLVUPCPLZVGZTC-UHFFFAOYSA-N -1 1 341.744 1.193 20 5 EDBDMM O=[N+]([O-])c1cnn(CCNc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000823652254 594224859 /nfs/dbraw/zinc/22/48/59/594224859.db2.gz XLVUPCPLZVGZTC-UHFFFAOYSA-N -1 1 341.744 1.193 20 5 EDBDMM CCc1cnccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825740669 594235429 /nfs/dbraw/zinc/23/54/29/594235429.db2.gz XYHOBVHASCEBRD-UHFFFAOYSA-N -1 1 326.320 1.739 20 5 EDBDMM CCc1cnccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825740669 594235430 /nfs/dbraw/zinc/23/54/30/594235430.db2.gz XYHOBVHASCEBRD-UHFFFAOYSA-N -1 1 326.320 1.739 20 5 EDBDMM CC(C)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ncccn1 ZINC000830078962 594332483 /nfs/dbraw/zinc/33/24/83/594332483.db2.gz NLLALQUPXPFPGB-UHFFFAOYSA-N -1 1 328.375 1.660 20 5 EDBDMM CCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CN(C(=O)[O-])C1 ZINC000827019637 594624915 /nfs/dbraw/zinc/62/49/15/594624915.db2.gz BESVKTJPCAPYBA-ZDUSSCGKSA-N -1 1 339.348 1.019 20 5 EDBDMM Cc1nn(CN2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000833921121 594965885 /nfs/dbraw/zinc/96/58/85/594965885.db2.gz GURGIZOCRGFKOW-GXSJLCMTSA-N -1 1 348.363 1.583 20 5 EDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]CC(F)(F)Br)c1 ZINC000842809154 595205410 /nfs/dbraw/zinc/20/54/10/595205410.db2.gz ANANXVPEOHCWQD-UHFFFAOYSA-N -1 1 345.121 1.861 20 5 EDBDMM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000859288485 596034963 /nfs/dbraw/zinc/03/49/63/596034963.db2.gz YYIMIPXDQIVSLW-SECBINFHSA-N -1 1 344.320 1.274 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000866596518 596264229 /nfs/dbraw/zinc/26/42/29/596264229.db2.gz GPZVVSMOUJYQCG-SNVBAGLBSA-N -1 1 343.380 1.557 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000872558464 596964259 /nfs/dbraw/zinc/96/42/59/596964259.db2.gz NAJKGZPRACKJAG-JBLDHEPKSA-N -1 1 344.364 1.970 20 5 EDBDMM CCN(C(C)C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825391443 607602822 /nfs/dbraw/zinc/60/28/22/607602822.db2.gz ZLGSTTNRKASIRG-UHFFFAOYSA-N -1 1 340.365 1.194 20 5 EDBDMM CC(C)[C@@](C)(CNC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738766751 603058616 /nfs/dbraw/zinc/05/86/16/603058616.db2.gz OKOLFDOYQQHSBR-OAHLLOKOSA-N -1 1 349.347 1.883 20 5 EDBDMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000921498249 700158752 /nfs/dbraw/zinc/15/87/52/700158752.db2.gz CBIMLCIFLOUPCF-HZGVNTEJSA-N -1 1 338.744 1.701 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(O)(c2ccccc2)CC1 ZINC000183839563 235239915 /nfs/dbraw/zinc/23/99/15/235239915.db2.gz FWWDPQHZVJYBCD-UHFFFAOYSA-N -1 1 343.339 1.819 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000080789600 138264941 /nfs/dbraw/zinc/26/49/41/138264941.db2.gz HPVWYXIWHPAZGG-LBPRGKRZSA-N -1 1 326.330 1.854 20 5 EDBDMM Cc1sc(S(=O)(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000123606587 138319668 /nfs/dbraw/zinc/31/96/68/138319668.db2.gz ZUDTZAYRUWKAOZ-MRVPVSSYSA-N -1 1 333.435 1.726 20 5 EDBDMM Cc1csc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000030703153 202198375 /nfs/dbraw/zinc/19/83/75/202198375.db2.gz IUPODYGNMVKHMF-UHFFFAOYSA-N -1 1 349.372 1.010 20 5 EDBDMM O=C(Nc1ncccc1[O-])c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000078595632 201189672 /nfs/dbraw/zinc/18/96/72/201189672.db2.gz PZRHMCUJKKNFEX-UHFFFAOYSA-N -1 1 326.268 1.789 20 5 EDBDMM CCC[C@@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000176751753 207257144 /nfs/dbraw/zinc/25/71/44/207257144.db2.gz GYBCLXJSLPPDKE-LLVKDONJSA-N -1 1 333.352 1.568 20 5 EDBDMM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263218468 139328914 /nfs/dbraw/zinc/32/89/14/139328914.db2.gz ONXIUWKTABQQAI-DTWKUNHWSA-N -1 1 332.316 1.796 20 5 EDBDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000420723288 304776419 /nfs/dbraw/zinc/77/64/19/304776419.db2.gz JYPOIGZPVKVGAZ-NXEZZACHSA-N -1 1 332.382 1.047 20 5 EDBDMM CCc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000490529022 255091240 /nfs/dbraw/zinc/09/12/40/255091240.db2.gz SVJIUKSNXLDFEY-UHFFFAOYSA-N -1 1 331.375 1.994 20 5 EDBDMM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000416505329 304326135 /nfs/dbraw/zinc/32/61/35/304326135.db2.gz CNSBISCYHAMXLG-UHFFFAOYSA-N -1 1 327.387 1.881 20 5 EDBDMM CNC(=O)c1cccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000354664570 149910079 /nfs/dbraw/zinc/91/00/79/149910079.db2.gz KYRKECRUEZJPKP-UHFFFAOYSA-N -1 1 344.327 1.028 20 5 EDBDMM O=C(N[C@@H]1c2ccccc2CC[C@H]1CO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364646366 153293784 /nfs/dbraw/zinc/29/37/84/153293784.db2.gz CTPRIDXGHCUROO-NHYWBVRUSA-N -1 1 343.339 1.721 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000369250619 154940290 /nfs/dbraw/zinc/94/02/90/154940290.db2.gz QAKFXAOEFLVEJY-NSHDSACASA-N -1 1 348.359 1.313 20 5 EDBDMM COC(=O)C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCCC1 ZINC000274966075 268252076 /nfs/dbraw/zinc/25/20/76/268252076.db2.gz MEDJAJSJMYLBIF-UHFFFAOYSA-N -1 1 337.332 1.691 20 5 EDBDMM O=C(N[C@H]1CCN(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275026217 268267689 /nfs/dbraw/zinc/26/76/89/268267689.db2.gz SQNPAHCHBALXFX-LBPRGKRZSA-N -1 1 328.328 1.704 20 5 EDBDMM CCC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1nn[n-]n1 ZINC000280797725 273399668 /nfs/dbraw/zinc/39/96/68/273399668.db2.gz LTHGSWSNZHLBST-NSHDSACASA-N -1 1 334.336 1.453 20 5 EDBDMM Cc1cc(C)cc([C@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000283021517 273760492 /nfs/dbraw/zinc/76/04/92/273760492.db2.gz GWLKLBSZUQRHOZ-CQSZACIVSA-N -1 1 331.328 1.776 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000366528767 280392456 /nfs/dbraw/zinc/39/24/56/280392456.db2.gz FRYKHFWJDMZZKY-ABAIWWIYSA-N -1 1 337.332 1.106 20 5 EDBDMM CCc1ccc([C@H](O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000289474839 288709179 /nfs/dbraw/zinc/70/91/79/288709179.db2.gz XKGTUPKMZYOEKX-CQSZACIVSA-N -1 1 331.328 1.721 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000293775955 303016714 /nfs/dbraw/zinc/01/67/14/303016714.db2.gz LJFXPLXNVHAQAS-NSHDSACASA-N -1 1 334.781 1.952 20 5 EDBDMM COCC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000075639965 441545072 /nfs/dbraw/zinc/54/50/72/441545072.db2.gz ISCKTJDCKNNFFE-UHFFFAOYSA-N -1 1 339.167 1.282 20 5 EDBDMM Cc1cnccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000167678469 442222595 /nfs/dbraw/zinc/22/25/95/442222595.db2.gz PXDGCZHYPXHWLU-UHFFFAOYSA-N -1 1 327.387 1.881 20 5 EDBDMM COc1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000193460310 442744816 /nfs/dbraw/zinc/74/48/16/442744816.db2.gz CYLOBXGEDLRKGK-UHFFFAOYSA-N -1 1 329.312 1.903 20 5 EDBDMM O=C(N[C@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193753142 442779342 /nfs/dbraw/zinc/77/93/42/442779342.db2.gz SJOHTYWFKVXGTA-WXHSDQCUSA-N -1 1 333.344 1.773 20 5 EDBDMM CC(C)(C)c1nnc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000268475386 443001851 /nfs/dbraw/zinc/00/18/51/443001851.db2.gz XHYDZJZMEJQXDJ-UHFFFAOYSA-N -1 1 337.361 1.774 20 5 EDBDMM Cc1cccc(C[C@H](CO)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000191144504 443248444 /nfs/dbraw/zinc/24/84/44/443248444.db2.gz FQLKVPUZMKTUEF-CYBMUJFWSA-N -1 1 331.328 1.337 20 5 EDBDMM C[C@@H](N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1)C(F)(F)F ZINC000185801319 443260104 /nfs/dbraw/zinc/26/01/04/443260104.db2.gz PHFIVSITPRAZCT-MRVPVSSYSA-N -1 1 348.281 1.404 20 5 EDBDMM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000272696350 443412659 /nfs/dbraw/zinc/41/26/59/443412659.db2.gz RVRKIXWXNXIKNW-LBPRGKRZSA-N -1 1 335.360 1.095 20 5 EDBDMM CCOC(=O)[C@@H](CC)N(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000276231952 443672886 /nfs/dbraw/zinc/67/28/86/443672886.db2.gz OGXSBYJPXTXNPA-LLVKDONJSA-N -1 1 337.332 1.642 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc1Cl ZINC000281143349 443830162 /nfs/dbraw/zinc/83/01/62/443830162.db2.gz KDFMMLMNHSRCIE-ZETCQYMHSA-N -1 1 338.744 1.845 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000289688875 444191093 /nfs/dbraw/zinc/19/10/93/444191093.db2.gz XKBMMGNCEACHLN-UHFFFAOYSA-N -1 1 342.402 1.796 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000289728398 444195933 /nfs/dbraw/zinc/19/59/33/444195933.db2.gz ZNQHAAPSRGSHMP-UHFFFAOYSA-N -1 1 342.402 1.796 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC2CCCC2)s1 ZINC000338022730 444488986 /nfs/dbraw/zinc/48/89/86/444488986.db2.gz UGKCCRGHMCSCNZ-JTQLQIEISA-N -1 1 334.419 1.876 20 5 EDBDMM C[C@H](CN(C)C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1nn[n-]n1 ZINC000358411688 445619855 /nfs/dbraw/zinc/61/98/55/445619855.db2.gz LGFSXSPCJSCFNH-MRVPVSSYSA-N -1 1 329.320 1.465 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000361919596 446068196 /nfs/dbraw/zinc/06/81/96/446068196.db2.gz RURPWEXXTXNDDJ-SNVBAGLBSA-N -1 1 344.327 1.130 20 5 EDBDMM Cc1ccc(NC(=O)CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000361920194 446068434 /nfs/dbraw/zinc/06/84/34/446068434.db2.gz XNLSTWLAEBSXET-UHFFFAOYSA-N -1 1 344.327 1.715 20 5 EDBDMM CC(C)c1n[nH]c(C(=O)NC2(c3nn[n-]n3)CCCC2)c1[N+](=O)[O-] ZINC000433771894 446597450 /nfs/dbraw/zinc/59/74/50/446597450.db2.gz ACQDHTUUDXYZLK-UHFFFAOYSA-N -1 1 334.340 1.154 20 5 EDBDMM C[C@H]1CN(C2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)CCO1 ZINC000368449404 446869724 /nfs/dbraw/zinc/86/97/24/446869724.db2.gz LBEGKBUWBHPWPY-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM CCN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000451863176 447766456 /nfs/dbraw/zinc/76/64/56/447766456.db2.gz HNOZRHCWFFKUJL-MRVPVSSYSA-N -1 1 347.780 1.147 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC000451931280 447787940 /nfs/dbraw/zinc/78/79/40/447787940.db2.gz BGTWVTKTEDLAAM-UHFFFAOYSA-N -1 1 334.781 1.689 20 5 EDBDMM O=C([O-])C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000532676530 448294234 /nfs/dbraw/zinc/29/42/34/448294234.db2.gz QSOHLGDRBWPHDI-SECBINFHSA-N -1 1 332.316 1.798 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000534316055 448444444 /nfs/dbraw/zinc/44/44/44/448444444.db2.gz IRKJURHILUFJIG-IUCAKERBSA-N -1 1 332.382 1.046 20 5 EDBDMM COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[n-]2)c2ccccc2O1 ZINC000518178159 448651653 /nfs/dbraw/zinc/65/16/53/448651653.db2.gz XSBVIFZVGUOAMW-LBPRGKRZSA-N -1 1 331.284 1.504 20 5 EDBDMM CC(C)(C)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000592065368 448656614 /nfs/dbraw/zinc/65/66/14/448656614.db2.gz SYGOGKBYKHEMGP-MRVPVSSYSA-N -1 1 347.418 1.334 20 5 EDBDMM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597819388 449106464 /nfs/dbraw/zinc/10/64/64/449106464.db2.gz GSYFJJUFXULRBI-LLVKDONJSA-N -1 1 344.327 1.202 20 5 EDBDMM COCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000590765011 449285026 /nfs/dbraw/zinc/28/50/26/449285026.db2.gz JCYHSNGQRQDYCU-UHFFFAOYSA-N -1 1 329.378 1.475 20 5 EDBDMM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598473511 449412341 /nfs/dbraw/zinc/41/23/41/449412341.db2.gz JDDNUKCKARPLSN-YGRLFVJLSA-N -1 1 331.328 1.590 20 5 EDBDMM COC(=O)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000600555731 449441817 /nfs/dbraw/zinc/44/18/17/449441817.db2.gz YJFSOBTUOGJGEQ-QJPTWQEYSA-N -1 1 349.343 1.499 20 5 EDBDMM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000598659308 449523463 /nfs/dbraw/zinc/52/34/63/449523463.db2.gz AVUUUDNMDFOMMB-KOLCDFICSA-N -1 1 332.316 1.844 20 5 EDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@](C)(C(F)F)O1 ZINC000598779554 449596951 /nfs/dbraw/zinc/59/69/51/449596951.db2.gz KEFNLNFNERPCTH-WPPNPWJKSA-N -1 1 331.275 1.580 20 5 EDBDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594697440 449630293 /nfs/dbraw/zinc/63/02/93/449630293.db2.gz VXLBOJNIKFUPPH-FZMZJTMJSA-N -1 1 344.389 1.696 20 5 EDBDMM CC(C)c1ncc2c(n1)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598939975 449658853 /nfs/dbraw/zinc/65/88/53/449658853.db2.gz PMRJJAOLLUVCRR-UHFFFAOYSA-N -1 1 343.343 1.807 20 5 EDBDMM COc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599224828 449813050 /nfs/dbraw/zinc/81/30/50/449813050.db2.gz NRRLEZDZFREGQZ-SECBINFHSA-N -1 1 340.361 1.376 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](N2CCOCC2)CC1 ZINC000597619992 450149503 /nfs/dbraw/zinc/14/95/03/450149503.db2.gz MGLBJTVQKXTBBX-CYBMUJFWSA-N -1 1 349.387 1.627 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](N2CCOCC2)CC1 ZINC000619871592 450347983 /nfs/dbraw/zinc/34/79/83/450347983.db2.gz PCYKZENYFWIAQT-AWEZNQCLSA-N -1 1 349.387 1.627 20 5 EDBDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1)N(C)C ZINC000798830815 578557134 /nfs/dbraw/zinc/55/71/34/578557134.db2.gz VFVLYDPSRGFWOE-SNVBAGLBSA-N -1 1 335.407 1.047 20 5 EDBDMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000734876491 578842307 /nfs/dbraw/zinc/84/23/07/578842307.db2.gz CDWGSEONLTYBCV-ZDUSSCGKSA-N -1 1 329.316 1.601 20 5 EDBDMM O=C(COC(=O)Cc1cccc([N+](=O)[O-])c1)[N-]C(=O)c1ccccc1 ZINC000745329317 579546056 /nfs/dbraw/zinc/54/60/56/579546056.db2.gz HMUSLMUTPOYNHQ-UHFFFAOYSA-N -1 1 342.307 1.637 20 5 EDBDMM CCCCC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC ZINC000751986356 579832082 /nfs/dbraw/zinc/83/20/82/579832082.db2.gz BZQDAYNZHLSOMD-SNVBAGLBSA-N -1 1 345.377 1.390 20 5 EDBDMM CC(=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752105009 579838537 /nfs/dbraw/zinc/83/85/37/579838537.db2.gz SIULOMFDYVDAGH-AORWBKJGSA-N -1 1 344.331 1.111 20 5 EDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCc1cccs1 ZINC000769050928 580226547 /nfs/dbraw/zinc/22/65/47/580226547.db2.gz YGBHVGXAYSVJGS-UHFFFAOYSA-N -1 1 336.325 1.835 20 5 EDBDMM CCOC(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])OCC ZINC000786897181 580683147 /nfs/dbraw/zinc/68/31/47/580683147.db2.gz AACMIJYHUADWAZ-UHFFFAOYSA-N -1 1 333.366 1.057 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2[C@@H]3COC[C@@H]32)cc1Cl ZINC000809841517 593364295 /nfs/dbraw/zinc/36/42/95/593364295.db2.gz LOZDRPCJPNIWPC-ZVVJDGAVSA-N -1 1 336.728 1.310 20 5 EDBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815027452 593610570 /nfs/dbraw/zinc/61/05/70/593610570.db2.gz QXERMSKRNXTQLE-LLVKDONJSA-N -1 1 338.744 1.845 20 5 EDBDMM C[C@H](COCC(F)(F)F)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820287219 593806566 /nfs/dbraw/zinc/80/65/66/593806566.db2.gz KMUCUEPEJIPGFJ-ZCFIWIBFSA-N -1 1 347.257 1.549 20 5 EDBDMM C[C@H](COCC(F)(F)F)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820287219 593806567 /nfs/dbraw/zinc/80/65/67/593806567.db2.gz KMUCUEPEJIPGFJ-ZCFIWIBFSA-N -1 1 347.257 1.549 20 5 EDBDMM CO[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821678551 593908642 /nfs/dbraw/zinc/90/86/42/593908642.db2.gz PATYKNXFXGWBCP-GFCCVEGCSA-N -1 1 341.331 1.970 20 5 EDBDMM CO[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821678551 593908645 /nfs/dbraw/zinc/90/86/45/593908645.db2.gz PATYKNXFXGWBCP-GFCCVEGCSA-N -1 1 341.331 1.970 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC2(C1)CCOCC2 ZINC000823620718 594221782 /nfs/dbraw/zinc/22/17/82/594221782.db2.gz OXZWQSNANJYNDK-UHFFFAOYSA-N -1 1 331.336 1.177 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC2(C1)CCOCC2 ZINC000823620718 594221783 /nfs/dbraw/zinc/22/17/83/594221783.db2.gz OXZWQSNANJYNDK-UHFFFAOYSA-N -1 1 331.336 1.177 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC1CCC2(CC1)OCCO2 ZINC000823620524 594221999 /nfs/dbraw/zinc/22/19/99/594221999.db2.gz MQVFEUXESMEMQD-UHFFFAOYSA-N -1 1 347.335 1.268 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC1CCC2(CC1)OCCO2 ZINC000823620524 594222000 /nfs/dbraw/zinc/22/20/00/594222000.db2.gz MQVFEUXESMEMQD-UHFFFAOYSA-N -1 1 347.335 1.268 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccccc1F ZINC000823624518 594222522 /nfs/dbraw/zinc/22/25/22/594222522.db2.gz BGOMEPGGCYRVNM-UHFFFAOYSA-N -1 1 345.294 1.800 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccccc1F ZINC000823624518 594222523 /nfs/dbraw/zinc/22/25/23/594222523.db2.gz BGOMEPGGCYRVNM-UHFFFAOYSA-N -1 1 345.294 1.800 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccccc1F ZINC000823624542 594222587 /nfs/dbraw/zinc/22/25/87/594222587.db2.gz CFVVSSCKASFUEM-UHFFFAOYSA-N -1 1 329.295 1.964 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccccc1F ZINC000823624542 594222588 /nfs/dbraw/zinc/22/25/88/594222588.db2.gz CFVVSSCKASFUEM-UHFFFAOYSA-N -1 1 329.295 1.964 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000827551926 594231330 /nfs/dbraw/zinc/23/13/30/594231330.db2.gz RHFVBPQWPKZCBV-RKDXNWHRSA-N -1 1 339.352 1.389 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nnc(Cn3ccnc3-c3nnn[n-]3)o2)cc1 ZINC000826498535 594502965 /nfs/dbraw/zinc/50/29/65/594502965.db2.gz ZPKVIZLJGJQTIF-UHFFFAOYSA-N -1 1 339.275 1.070 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nnc(Cn3ccnc3-c3nn[n-]n3)o2)cc1 ZINC000826498535 594502966 /nfs/dbraw/zinc/50/29/66/594502966.db2.gz ZPKVIZLJGJQTIF-UHFFFAOYSA-N -1 1 339.275 1.070 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1Cl ZINC000836784649 594997562 /nfs/dbraw/zinc/99/75/62/594997562.db2.gz MTLWKCBCSRWACD-MRVPVSSYSA-N -1 1 338.755 1.945 20 5 EDBDMM C[C@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000848593120 595412460 /nfs/dbraw/zinc/41/24/60/595412460.db2.gz YKTLKEHYLMSBQG-QMMMGPOBSA-N -1 1 341.274 1.572 20 5 EDBDMM C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)Cc1n[n-]c(=O)o1 ZINC000852188915 596078564 /nfs/dbraw/zinc/07/85/64/596078564.db2.gz QVNRQUMMRYQTJR-UHFFFAOYSA-N -1 1 339.283 1.283 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000867565516 596434160 /nfs/dbraw/zinc/43/41/60/596434160.db2.gz VREFQUHXULPUQR-GXFFZTMASA-N -1 1 344.364 1.888 20 5 EDBDMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(N)c([N+](=O)[O-])c1 ZINC000175225992 697701685 /nfs/dbraw/zinc/70/16/85/697701685.db2.gz VLGGOJMENSMYSY-UHFFFAOYSA-N -1 1 330.226 1.875 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCOCC(C)C)c([N+](=O)[O-])n1 ZINC000435809075 305147525 /nfs/dbraw/zinc/14/75/25/305147525.db2.gz OICKNMOAPWASNE-UHFFFAOYSA-N -1 1 334.398 1.152 20 5 EDBDMM C[C@H]1CN(CCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000563207348 306323601 /nfs/dbraw/zinc/32/36/01/306323601.db2.gz QYBOSPGSLWOSLU-QWRGUYRKSA-N -1 1 338.364 1.599 20 5 EDBDMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000186947634 236075046 /nfs/dbraw/zinc/07/50/46/236075046.db2.gz AHKJCSKUOLZQQY-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187184253 236140100 /nfs/dbraw/zinc/14/01/00/236140100.db2.gz AYTOFPGJYXXWTA-QMTHXVAHSA-N -1 1 331.328 1.937 20 5 EDBDMM CCc1nc(SCCn2cc([N+](=O)[O-])ccc2=O)[n-]c(=O)c1C ZINC000563898849 306351961 /nfs/dbraw/zinc/35/19/61/306351961.db2.gz MLIWBEFPKTVLOT-UHFFFAOYSA-N -1 1 336.373 1.915 20 5 EDBDMM O=C(N[C@@H]1COc2ccc(F)cc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000378141305 284130899 /nfs/dbraw/zinc/13/08/99/284130899.db2.gz QBFIYSGDWUHGQD-NSHDSACASA-N -1 1 333.275 1.568 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCO[C@H]21 ZINC000247117091 139136478 /nfs/dbraw/zinc/13/64/78/139136478.db2.gz VWUQQBJPNOHYGN-WHGOUJPWSA-N -1 1 332.403 1.748 20 5 EDBDMM C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H]1C(=O)[O-] ZINC000424272216 296383897 /nfs/dbraw/zinc/38/38/97/296383897.db2.gz ZKKQEAOBUNCLJT-OQPBUACISA-N -1 1 332.316 1.796 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCn3ccnc3C2)s1 ZINC000492287700 255167999 /nfs/dbraw/zinc/16/79/99/255167999.db2.gz ATFSIMCBQGVSHF-QMMMGPOBSA-N -1 1 328.375 1.146 20 5 EDBDMM C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000271309932 140275536 /nfs/dbraw/zinc/27/55/36/140275536.db2.gz YKXVDHMCXVNMFE-ZJUUUORDSA-N -1 1 332.353 1.827 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCOC(C)(C)CC)c([N+](=O)[O-])n1 ZINC000416522850 304327826 /nfs/dbraw/zinc/32/78/26/304327826.db2.gz GNVSRUSXKCVBQH-UHFFFAOYSA-N -1 1 334.398 1.295 20 5 EDBDMM COC(=O)c1cnc([N-]c2cnn(C[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000364933551 153375097 /nfs/dbraw/zinc/37/50/97/153375097.db2.gz XQVTVZHWRBZPKR-LBPRGKRZSA-N -1 1 347.331 1.896 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCOC3)C2)s1 ZINC000367422793 154115959 /nfs/dbraw/zinc/11/59/59/154115959.db2.gz NHKBDIRNFLMSPP-SKDRFNHKSA-N -1 1 348.402 1.273 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000273592603 268060494 /nfs/dbraw/zinc/06/04/94/268060494.db2.gz KCKNAPCUVPVORK-LURJTMIESA-N -1 1 346.365 1.933 20 5 EDBDMM CC(C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275037481 268269734 /nfs/dbraw/zinc/26/97/34/268269734.db2.gz QTTXAPMJMWQXKK-UHFFFAOYSA-N -1 1 334.325 1.513 20 5 EDBDMM COCCCOC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000278062874 273245488 /nfs/dbraw/zinc/24/54/88/273245488.db2.gz FIPFYJPKRDSXHS-UHFFFAOYSA-N -1 1 339.348 1.353 20 5 EDBDMM CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000284485140 274219177 /nfs/dbraw/zinc/21/91/77/274219177.db2.gz BHPMKBPCZFFDET-SKDRFNHKSA-N -1 1 347.331 1.329 20 5 EDBDMM CNC(=O)CC[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000286165256 287950965 /nfs/dbraw/zinc/95/09/65/287950965.db2.gz HKEONZHZWXKUIO-LLVKDONJSA-N -1 1 336.348 1.216 20 5 EDBDMM C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CCN1CC(C)(C)O ZINC000188719833 300198006 /nfs/dbraw/zinc/19/80/06/300198006.db2.gz MBAWWBUYOWNKCV-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000298812532 303558342 /nfs/dbraw/zinc/55/83/42/303558342.db2.gz QCRRWIJNECMKIJ-SECBINFHSA-N -1 1 338.320 1.046 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000435809057 305147666 /nfs/dbraw/zinc/14/76/66/305147666.db2.gz OFTXNRIWRKWEIV-GFCCVEGCSA-N -1 1 336.373 1.777 20 5 EDBDMM CSc1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000547949342 306115595 /nfs/dbraw/zinc/11/55/95/306115595.db2.gz BOQNRDUHVLIQHP-SECBINFHSA-N -1 1 348.388 1.850 20 5 EDBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCCN1C1CCOCC1 ZINC000092547062 441808619 /nfs/dbraw/zinc/80/86/19/441808619.db2.gz FXBXJULINDCJKW-AWEZNQCLSA-N -1 1 335.360 1.882 20 5 EDBDMM CSc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000155559151 442408075 /nfs/dbraw/zinc/40/80/75/442408075.db2.gz STNGTAVQVVOQDD-SNVBAGLBSA-N -1 1 348.388 1.850 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000187151902 442656766 /nfs/dbraw/zinc/65/67/66/442656766.db2.gz WGTZAYMSVPPUBK-SSDOTTSWSA-N -1 1 335.320 1.867 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000283445099 443634872 /nfs/dbraw/zinc/63/48/72/443634872.db2.gz NNRNENBHLZWJTP-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM CCC[C@H](NC(=O)c1cc2nsnc2c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000272330789 443593682 /nfs/dbraw/zinc/59/36/82/443593682.db2.gz LOISUWLPMQEHIE-ZETCQYMHSA-N -1 1 348.348 1.384 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000292730295 443829168 /nfs/dbraw/zinc/82/91/68/443829168.db2.gz ZKXRANZWNTVZKD-CHWSQXEVSA-N -1 1 333.344 1.869 20 5 EDBDMM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000277657514 444019086 /nfs/dbraw/zinc/01/90/86/444019086.db2.gz FYPBTYKBWIZJGH-UHFFFAOYSA-N -1 1 328.328 1.788 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC000560436676 321027611 /nfs/dbraw/zinc/02/76/11/321027611.db2.gz ZZUVNFUEMCAGKZ-UHFFFAOYSA-N -1 1 349.351 1.285 20 5 EDBDMM Cc1noc([C@@H]2CC[C@H](CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)O2)n1 ZINC000278207234 444117739 /nfs/dbraw/zinc/11/77/39/444117739.db2.gz CXLSYIAPAINESH-KOLCDFICSA-N -1 1 349.303 1.037 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000290711292 444313831 /nfs/dbraw/zinc/31/38/31/444313831.db2.gz JJDBYDVRQSWKNG-NSHDSACASA-N -1 1 338.744 1.845 20 5 EDBDMM COc1ccc(OCCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000344227371 444850619 /nfs/dbraw/zinc/85/06/19/444850619.db2.gz SXVKKRQOGOXKHN-UHFFFAOYSA-N -1 1 347.327 1.903 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccs2)c([N+](=O)[O-])n1 ZINC000339038766 445002001 /nfs/dbraw/zinc/00/20/01/445002001.db2.gz AEYRDVZBCNHSAC-MRVPVSSYSA-N -1 1 330.391 1.912 20 5 EDBDMM COCCNc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000344613645 445087694 /nfs/dbraw/zinc/08/76/94/445087694.db2.gz CJYBKOKJLBPRNK-UHFFFAOYSA-N -1 1 346.343 1.684 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000330624802 445067174 /nfs/dbraw/zinc/06/71/74/445067174.db2.gz GRVWMODXDQKCLE-MNOVXSKESA-N -1 1 346.409 1.293 20 5 EDBDMM O=C(N[C@H]1CCN(c2cccnc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000365205762 446078259 /nfs/dbraw/zinc/07/82/59/446078259.db2.gz DGTLHMDZGKQTDX-JTQLQIEISA-N -1 1 329.316 1.099 20 5 EDBDMM C/C=C\C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000351594288 446190897 /nfs/dbraw/zinc/19/08/97/446190897.db2.gz GDVHOXZXHYXQKK-XADBCAIWSA-N -1 1 334.781 1.854 20 5 EDBDMM C[C@@H]1CN(C2CCN(C(=O)c3cccc([O-])c3[N+](=O)[O-])CC2)CCO1 ZINC000373832678 446336476 /nfs/dbraw/zinc/33/64/76/446336476.db2.gz VADHMMAUOPOGNV-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000375233402 446659346 /nfs/dbraw/zinc/65/93/46/446659346.db2.gz JYSPVPUWCMKLFZ-AORWBKJGSA-N -1 1 344.331 1.111 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(OC)cc2)c([N+](=O)[O-])n1 ZINC000435799093 446712618 /nfs/dbraw/zinc/71/26/18/446712618.db2.gz LAUXJCCAMDHWOB-UHFFFAOYSA-N -1 1 340.361 1.298 20 5 EDBDMM O=C(NCc1ccccc1-n1cccn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000377173211 446970391 /nfs/dbraw/zinc/97/03/91/446970391.db2.gz DKBZCWFAJILKBD-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445020368 447157921 /nfs/dbraw/zinc/15/79/21/447157921.db2.gz NVYWJPSDIUMWSS-LLVKDONJSA-N -1 1 336.348 1.168 20 5 EDBDMM COc1ccccc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525698905 448013407 /nfs/dbraw/zinc/01/34/07/448013407.db2.gz CETNPYLODAZUFP-UHFFFAOYSA-N -1 1 337.357 1.519 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1Cc1ccccc1 ZINC000525698861 448013488 /nfs/dbraw/zinc/01/34/88/448013488.db2.gz OYMAATUYWYNZBV-CHWSQXEVSA-N -1 1 333.369 1.899 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)CC1CCCCC1 ZINC000582595299 448284511 /nfs/dbraw/zinc/28/45/11/448284511.db2.gz SCOFPYOPCXXYHO-LBPRGKRZSA-N -1 1 343.405 1.599 20 5 EDBDMM COCC1CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000591331973 448327281 /nfs/dbraw/zinc/32/72/81/448327281.db2.gz HUAAQUWYRROIDD-UHFFFAOYSA-N -1 1 329.378 1.473 20 5 EDBDMM C[C@H]1COCCN1C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000590555008 449189439 /nfs/dbraw/zinc/18/94/39/449189439.db2.gz JSLUMHGULPNHFH-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM Cc1[nH]nc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000596004062 449309464 /nfs/dbraw/zinc/30/94/64/449309464.db2.gz UNQNGSUBSQGLBG-ZDUSSCGKSA-N -1 1 330.300 1.451 20 5 EDBDMM C[C@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C(=O)[O-] ZINC000600799752 449551216 /nfs/dbraw/zinc/55/12/16/449551216.db2.gz GBKUKAKJDMBEAF-JQWIXIFHSA-N -1 1 336.344 1.909 20 5 EDBDMM COc1cccc(OCCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000610015980 450128924 /nfs/dbraw/zinc/12/89/24/450128924.db2.gz IQFDVEVGGBXNLD-UHFFFAOYSA-N -1 1 347.327 1.903 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000618378002 450185084 /nfs/dbraw/zinc/18/50/84/450185084.db2.gz IUFWDENPSCKANJ-RCOVLWMOSA-N -1 1 335.238 1.487 20 5 EDBDMM CC(C)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccnn1C ZINC000616021856 450300761 /nfs/dbraw/zinc/30/07/61/450300761.db2.gz YUFHPRDKNCITBA-LLVKDONJSA-N -1 1 333.348 1.599 20 5 EDBDMM Cc1cccc(OCCN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000028813992 524736282 /nfs/dbraw/zinc/73/62/82/524736282.db2.gz WMSAMQYARBNJHG-UHFFFAOYSA-N -1 1 331.328 1.743 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)co1 ZINC000756392253 579949199 /nfs/dbraw/zinc/94/91/99/579949199.db2.gz XWOLEGVEIIAUQQ-UHFFFAOYSA-N -1 1 340.313 1.453 20 5 EDBDMM COC(=O)c1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000796361574 580951981 /nfs/dbraw/zinc/95/19/81/580951981.db2.gz KFSPUBPRMAXYHF-UHFFFAOYSA-N -1 1 332.268 1.749 20 5 EDBDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N(C)C ZINC000798848626 581010550 /nfs/dbraw/zinc/01/05/50/581010550.db2.gz CLUMDQSCFVIVCH-NSHDSACASA-N -1 1 347.368 1.125 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)c3cc(F)c(F)cc3[N+](=O)[O-])ccnc1-2 ZINC000801701240 581082797 /nfs/dbraw/zinc/08/27/97/581082797.db2.gz DSJQBOSSGVNSOQ-UHFFFAOYSA-N -1 1 333.254 1.781 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000907470342 592651598 /nfs/dbraw/zinc/65/15/98/592651598.db2.gz RSKOYPXPYAAPDW-CMPLNLGQSA-N -1 1 344.364 1.970 20 5 EDBDMM Cc1c(CNC(=O)N=c2ccnc3n(C)[n-]cc2-3)cccc1[N+](=O)[O-] ZINC000806491497 593452065 /nfs/dbraw/zinc/45/20/65/593452065.db2.gz LUKCNIAFWNQBHT-UHFFFAOYSA-N -1 1 340.343 1.880 20 5 EDBDMM COC(=O)CCCO[N-]C(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000811561169 593473787 /nfs/dbraw/zinc/47/37/87/593473787.db2.gz KADNGJDKICRAFS-SECBINFHSA-N -1 1 328.296 1.838 20 5 EDBDMM COC(=O)Cc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816512804 593528738 /nfs/dbraw/zinc/52/87/38/593528738.db2.gz VIZFFIOIHRWXPJ-UHFFFAOYSA-N -1 1 345.311 1.341 20 5 EDBDMM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016260 593609628 /nfs/dbraw/zinc/60/96/28/593609628.db2.gz DFOZKSXAIKLRNJ-LURJTMIESA-N -1 1 326.733 1.437 20 5 EDBDMM C[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017564 593609900 /nfs/dbraw/zinc/60/99/00/593609900.db2.gz ONUYXROOLCRUCU-LURJTMIESA-N -1 1 326.733 1.437 20 5 EDBDMM CCc1nc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC000821510066 593850375 /nfs/dbraw/zinc/85/03/75/593850375.db2.gz VFRFCFNGRBOMRZ-UHFFFAOYSA-N -1 1 332.349 1.801 20 5 EDBDMM CCc1nc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC000821510066 593850377 /nfs/dbraw/zinc/85/03/77/593850377.db2.gz VFRFCFNGRBOMRZ-UHFFFAOYSA-N -1 1 332.349 1.801 20 5 EDBDMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000822453233 594050794 /nfs/dbraw/zinc/05/07/94/594050794.db2.gz FPZFLYGLNYXZMS-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000822453233 594050796 /nfs/dbraw/zinc/05/07/96/594050796.db2.gz FPZFLYGLNYXZMS-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM COc1ccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000826193168 594371663 /nfs/dbraw/zinc/37/16/63/594371663.db2.gz SDQPWADHJHCOQB-UHFFFAOYSA-N -1 1 342.319 1.210 20 5 EDBDMM COc1ccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000826193168 594371664 /nfs/dbraw/zinc/37/16/64/594371664.db2.gz SDQPWADHJHCOQB-UHFFFAOYSA-N -1 1 342.319 1.210 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826496567 594501348 /nfs/dbraw/zinc/50/13/48/594501348.db2.gz ABNLBXNQZYBSCE-VHSXEESVSA-N -1 1 331.336 1.033 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000826496567 594501350 /nfs/dbraw/zinc/50/13/50/594501350.db2.gz ABNLBXNQZYBSCE-VHSXEESVSA-N -1 1 331.336 1.033 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949213 594608141 /nfs/dbraw/zinc/60/81/41/594608141.db2.gz LHOFKFNRTZGJLX-MRVPVSSYSA-N -1 1 325.325 1.095 20 5 EDBDMM C[C@H](CN(CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1)C(=O)[O-] ZINC000827448711 594673149 /nfs/dbraw/zinc/67/31/49/594673149.db2.gz CEPLYIJAGYWYMW-LLVKDONJSA-N -1 1 347.371 1.669 20 5 EDBDMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832415737 594748820 /nfs/dbraw/zinc/74/88/20/594748820.db2.gz WARBZIFWNKSPMY-SECBINFHSA-N -1 1 342.352 1.990 20 5 EDBDMM O=C([O-])CCCNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000841775040 594949743 /nfs/dbraw/zinc/94/97/43/594949743.db2.gz IVAVINIYUJKWBA-UHFFFAOYSA-N -1 1 340.716 1.530 20 5 EDBDMM Cc1nn(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833920619 594965558 /nfs/dbraw/zinc/96/55/58/594965558.db2.gz LZDCSNSIJZDXRV-MWLCHTKSSA-N -1 1 348.363 1.583 20 5 EDBDMM Cc1nn(CN2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833920619 594965559 /nfs/dbraw/zinc/96/55/59/594965559.db2.gz LZDCSNSIJZDXRV-MWLCHTKSSA-N -1 1 348.363 1.583 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCO[C@@H]1CC1(F)F ZINC000849444199 595527241 /nfs/dbraw/zinc/52/72/41/595527241.db2.gz TYJFFXJLHZNJBU-SECBINFHSA-N -1 1 340.279 1.436 20 5 EDBDMM O=C([O-])[C@]12C[C@H]1C[C@H](NC(=O)c1n[nH]c3ccc([N+](=O)[O-])cc31)C2 ZINC000864208924 596788931 /nfs/dbraw/zinc/78/89/31/596788931.db2.gz RHJARBWTCAQFEG-KUTMEBCESA-N -1 1 330.300 1.454 20 5 EDBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129266782 597743231 /nfs/dbraw/zinc/74/32/31/597743231.db2.gz URMHAVZTFZJLAF-JTQLQIEISA-N -1 1 345.363 1.194 20 5 EDBDMM CCN1CC[C@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000882766988 598050144 /nfs/dbraw/zinc/05/01/44/598050144.db2.gz XBLVYUQCPZCIBT-VIFPVBQESA-N -1 1 333.797 1.621 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@](O)(C(F)(F)F)C1 ZINC000331213349 296187189 /nfs/dbraw/zinc/18/71/89/296187189.db2.gz LSOIQRCLQVCISR-LLVKDONJSA-N -1 1 335.238 1.225 20 5 EDBDMM O=C([O-])[C@H]1Cn2c(=O)[nH]nc2CN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000424379942 304208862 /nfs/dbraw/zinc/20/88/62/304208862.db2.gz WFEYLAVWAHVXEU-SECBINFHSA-N -1 1 339.695 1.019 20 5 EDBDMM O=C1NCCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047265882 296366921 /nfs/dbraw/zinc/36/69/21/296366921.db2.gz HINUTIJWUFFPNI-SECBINFHSA-N -1 1 347.780 1.195 20 5 EDBDMM CO[C@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000345511393 143100281 /nfs/dbraw/zinc/10/02/81/143100281.db2.gz OCPMERJWAKGVNY-RYUDHWBXSA-N -1 1 333.304 1.021 20 5 EDBDMM O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345980793 143153709 /nfs/dbraw/zinc/15/37/09/143153709.db2.gz RJLGHKAXXZDGPQ-UHFFFAOYSA-N -1 1 329.272 1.207 20 5 EDBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000346124926 143170224 /nfs/dbraw/zinc/17/02/24/143170224.db2.gz JSFQGHYSWRZREC-OCCSQVGLSA-N -1 1 344.327 1.693 20 5 EDBDMM COc1cc(CCNC(=O)c2cncc([O-])c2)c([N+](=O)[O-])cc1OC ZINC000264899117 149046860 /nfs/dbraw/zinc/04/68/60/149046860.db2.gz WTCMQPVCGLTIEM-UHFFFAOYSA-N -1 1 347.327 1.685 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)[n-]1 ZINC000355661595 150353331 /nfs/dbraw/zinc/35/33/31/150353331.db2.gz XMMYVCXYHHBSIW-UHFFFAOYSA-N -1 1 342.315 1.872 20 5 EDBDMM O=C(N[C@@H]1CCO[C@@H]1c1ccc(=O)[nH]c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357648069 151100275 /nfs/dbraw/zinc/10/02/75/151100275.db2.gz QYNRANFJSBRENS-ZWNOBZJWSA-N -1 1 346.299 1.056 20 5 EDBDMM COC(=O)c1cnc([N-]c2cnn(C[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 ZINC000364933548 153375362 /nfs/dbraw/zinc/37/53/62/153375362.db2.gz XQVTVZHWRBZPKR-GFCCVEGCSA-N -1 1 347.331 1.896 20 5 EDBDMM C[C@@H](CN(C)C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000274733427 268193450 /nfs/dbraw/zinc/19/34/50/268193450.db2.gz DHIJDWZUSRHVMZ-QMMMGPOBSA-N -1 1 340.290 1.462 20 5 EDBDMM COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276134227 273151174 /nfs/dbraw/zinc/15/11/74/273151174.db2.gz DCWHUZWTEMMGJY-UISBYWKRSA-N -1 1 335.316 1.109 20 5 EDBDMM Cn1ccnc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000366806677 279373142 /nfs/dbraw/zinc/37/31/42/279373142.db2.gz JEHDFYFZLRSBTN-UHFFFAOYSA-N -1 1 331.317 1.494 20 5 EDBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C(F)(F)F)O1 ZINC000295227092 303191368 /nfs/dbraw/zinc/19/13/68/303191368.db2.gz BULFAMAYLHDQDB-VIFPVBQESA-N -1 1 349.265 1.877 20 5 EDBDMM COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1O ZINC000432972486 305098473 /nfs/dbraw/zinc/09/84/73/305098473.db2.gz MGNUQXGIZFWLBS-UHFFFAOYSA-N -1 1 333.300 1.682 20 5 EDBDMM CC(C)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](C)C1=O ZINC000445212356 305258161 /nfs/dbraw/zinc/25/81/61/305258161.db2.gz LWOBMVMCVUKNKD-JTQLQIEISA-N -1 1 336.348 1.024 20 5 EDBDMM CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000451748907 305366838 /nfs/dbraw/zinc/36/68/38/305366838.db2.gz OKFMBVSSEWZXOS-GHMZBOCLSA-N -1 1 330.410 1.916 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc2c1OCO2 ZINC000525176162 305823306 /nfs/dbraw/zinc/82/33/06/305823306.db2.gz GSGAKKIOCJCHEK-UHFFFAOYSA-N -1 1 337.313 1.197 20 5 EDBDMM C[C@@H](O)C[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000120763831 442127951 /nfs/dbraw/zinc/12/79/51/442127951.db2.gz YWNUDCLHLYDUGH-DTWKUNHWSA-N -1 1 336.797 1.934 20 5 EDBDMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000171079282 442308175 /nfs/dbraw/zinc/30/81/75/442308175.db2.gz MGESMXMKWGPALZ-UHFFFAOYSA-N -1 1 349.796 1.395 20 5 EDBDMM CC(C)(CC(N)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000186708887 442597480 /nfs/dbraw/zinc/59/74/80/442597480.db2.gz WVHARMOGFLGCEK-UHFFFAOYSA-N -1 1 335.769 1.181 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CC[C@H](O)C1 ZINC000188333685 442740704 /nfs/dbraw/zinc/74/07/04/442740704.db2.gz JMTKKAVBPFEXLB-IUCAKERBSA-N -1 1 334.781 1.688 20 5 EDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000196730455 443035373 /nfs/dbraw/zinc/03/53/73/443035373.db2.gz CDVZCPJYIIFDKO-UHFFFAOYSA-N -1 1 327.304 1.220 20 5 EDBDMM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000269133208 443208166 /nfs/dbraw/zinc/20/81/66/443208166.db2.gz IUPVEDUXQDNOIY-OTYXRUKQSA-N -1 1 339.373 1.480 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ncn(C)n1 ZINC000444214439 320120767 /nfs/dbraw/zinc/12/07/67/320120767.db2.gz POCHGFMWSILCGC-SSDOTTSWSA-N -1 1 345.768 1.416 20 5 EDBDMM O=C(NCC[C@@H]1COc2ccccc2O1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000488554221 320358660 /nfs/dbraw/zinc/35/86/60/320358660.db2.gz YMKDEYMCFWYBFW-LLVKDONJSA-N -1 1 345.311 1.655 20 5 EDBDMM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000277076140 443903610 /nfs/dbraw/zinc/90/36/10/443903610.db2.gz OALUDGFEFLWORP-SFYZADRCSA-N -1 1 334.336 1.818 20 5 EDBDMM O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278138765 444103723 /nfs/dbraw/zinc/10/37/23/444103723.db2.gz NWPDPUCRJQFPHC-YGRLFVJLSA-N -1 1 339.373 1.480 20 5 EDBDMM C[C@@H](CCCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295354571 444180107 /nfs/dbraw/zinc/18/01/07/444180107.db2.gz RMDMYLVRFCPUIB-VIFPVBQESA-N -1 1 336.797 1.935 20 5 EDBDMM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290707597 444313457 /nfs/dbraw/zinc/31/34/57/444313457.db2.gz JDSOZFXLRXGTKY-BQBZGAKWSA-N -1 1 340.760 1.683 20 5 EDBDMM O=C([N-]c1n[nH]c(SCCO)n1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343852170 444628033 /nfs/dbraw/zinc/62/80/33/444628033.db2.gz PTJUUMQSCVHGHX-UHFFFAOYSA-N -1 1 349.328 1.796 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccncc1 ZINC000339048947 445009346 /nfs/dbraw/zinc/00/93/46/445009346.db2.gz SIXRKWJPLAUPQH-NSHDSACASA-N -1 1 339.377 1.636 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000339205212 445088014 /nfs/dbraw/zinc/08/80/14/445088014.db2.gz ORFRTCFVCGWYSA-VIFPVBQESA-N -1 1 334.288 1.409 20 5 EDBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 ZINC000354525644 445279324 /nfs/dbraw/zinc/27/93/24/445279324.db2.gz KFZDMTCRTAOKSI-UHFFFAOYSA-N -1 1 343.296 1.081 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000352607054 445542082 /nfs/dbraw/zinc/54/20/82/445542082.db2.gz OLPBTQLFWWRGPU-UHFFFAOYSA-N -1 1 328.288 1.195 20 5 EDBDMM Cn1ccnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000372953527 445940840 /nfs/dbraw/zinc/94/08/40/445940840.db2.gz ZBNMQZPUPREBEL-SNVBAGLBSA-N -1 1 331.332 1.449 20 5 EDBDMM O=C(NC[C@H]1COc2ccccc2O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000354115781 445914979 /nfs/dbraw/zinc/91/49/79/445914979.db2.gz UDZPPLRSTANSMM-JTQLQIEISA-N -1 1 331.284 1.265 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(c2cnccn2)CC1 ZINC000373572176 446266094 /nfs/dbraw/zinc/26/60/94/446266094.db2.gz IUOZHFVYEUEOKR-UHFFFAOYSA-N -1 1 329.316 1.505 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(C)cc(N)c2)c([N+](=O)[O-])n1 ZINC000420462632 446640379 /nfs/dbraw/zinc/64/03/79/446640379.db2.gz VUOIBSLNQOKERB-UHFFFAOYSA-N -1 1 339.377 1.180 20 5 EDBDMM Cc1cn2c(n1)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCC2 ZINC000375732383 447007980 /nfs/dbraw/zinc/00/79/80/447007980.db2.gz QRDHNYATDJKOAJ-SNVBAGLBSA-N -1 1 331.332 1.508 20 5 EDBDMM Cn1cc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)(C)C)cn1 ZINC000444962645 447150071 /nfs/dbraw/zinc/15/00/71/447150071.db2.gz FQKODHQTQWWBTN-LBPRGKRZSA-N -1 1 333.348 1.946 20 5 EDBDMM CC(C)[C@H](C(=O)[O-])[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000399575331 447565251 /nfs/dbraw/zinc/56/52/51/447565251.db2.gz JYNSBAJHOGCPTK-KWQFWETISA-N -1 1 348.352 1.758 20 5 EDBDMM C[C@@H](CN(C)C(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000183396268 533711909 /nfs/dbraw/zinc/71/19/09/533711909.db2.gz SFXKJUQQUQEXBT-NSHDSACASA-N -1 1 347.379 1.562 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@H](O)CC1 ZINC000513086886 448157858 /nfs/dbraw/zinc/15/78/58/448157858.db2.gz WNXNJKPLYISWLB-KYZUINATSA-N -1 1 334.781 1.830 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000531603165 448114036 /nfs/dbraw/zinc/11/40/36/448114036.db2.gz FMBMZPLCCZYVTN-HBNTYKKESA-N -1 1 327.362 1.226 20 5 EDBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539326545 448608507 /nfs/dbraw/zinc/60/85/07/448608507.db2.gz NPNJJUMEAHFQDP-VIFPVBQESA-N -1 1 342.315 1.874 20 5 EDBDMM C[C@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000569102540 448961324 /nfs/dbraw/zinc/96/13/24/448961324.db2.gz PVCNAEATBQHTBE-AAEUAGOBSA-N -1 1 347.371 1.669 20 5 EDBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000569102543 448961578 /nfs/dbraw/zinc/96/15/78/448961578.db2.gz PVCNAEATBQHTBE-YPMHNXCESA-N -1 1 347.371 1.669 20 5 EDBDMM O=C([O-])C[C@H]1CCCCN1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000593290059 449209916 /nfs/dbraw/zinc/20/99/16/449209916.db2.gz BLQAQQOYYDMQIU-CYBMUJFWSA-N -1 1 347.371 1.813 20 5 EDBDMM O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604513364 449243160 /nfs/dbraw/zinc/24/31/60/449243160.db2.gz UQDYQFRHSODSTM-ZDUSSCGKSA-N -1 1 340.299 1.333 20 5 EDBDMM CC1(N2CCOCC2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000600412226 449362623 /nfs/dbraw/zinc/36/26/23/449362623.db2.gz ZKRVFNSCGLIUDG-UHFFFAOYSA-N -1 1 349.387 1.627 20 5 EDBDMM CC(C)(C)OC(=O)Cn1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000598545128 449458169 /nfs/dbraw/zinc/45/81/69/449458169.db2.gz IJMIILGEKPWNJK-UHFFFAOYSA-N -1 1 335.320 1.713 20 5 EDBDMM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000600653276 449471770 /nfs/dbraw/zinc/47/17/70/449471770.db2.gz HTLULWNMJKVHEY-MRVPVSSYSA-N -1 1 342.381 1.756 20 5 EDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600704082 449504569 /nfs/dbraw/zinc/50/45/69/449504569.db2.gz SDXRPHHQGBZNOW-SUNKGSAMSA-N -1 1 335.360 1.964 20 5 EDBDMM COc1cc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1O ZINC000609635287 450078222 /nfs/dbraw/zinc/07/82/22/450078222.db2.gz GGPOGJGKCMEIQN-UHFFFAOYSA-N -1 1 333.300 1.382 20 5 EDBDMM COc1cccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000618237279 450089905 /nfs/dbraw/zinc/08/99/05/450089905.db2.gz IRNUBGSOIWTHRH-VIFPVBQESA-N -1 1 332.320 1.136 20 5 EDBDMM COC(=O)CCCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261118 450173203 /nfs/dbraw/zinc/17/32/03/450173203.db2.gz PERCBFNUDWBZOJ-UHFFFAOYSA-N -1 1 331.350 1.002 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCc2ccccc21 ZINC000610263469 450173454 /nfs/dbraw/zinc/17/34/54/450173454.db2.gz QQQNVCWDGRKDKK-GFCCVEGCSA-N -1 1 333.369 1.998 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000618378000 450185384 /nfs/dbraw/zinc/18/53/84/450185384.db2.gz IUFWDENPSCKANJ-IMTBSYHQSA-N -1 1 335.238 1.487 20 5 EDBDMM CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000178776491 527697181 /nfs/dbraw/zinc/69/71/81/527697181.db2.gz VPIPKIIQPKOLNF-SECBINFHSA-N -1 1 334.369 1.809 20 5 EDBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc([N+](=O)[O-])c1 ZINC000736196070 578962309 /nfs/dbraw/zinc/96/23/09/578962309.db2.gz RBWRAYWOEXWXHG-UHFFFAOYSA-N -1 1 334.244 1.870 20 5 EDBDMM CCOC(=O)[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000751981024 579831653 /nfs/dbraw/zinc/83/16/53/579831653.db2.gz HPWSGQYTJPAYPI-VIFPVBQESA-N -1 1 348.402 1.666 20 5 EDBDMM O=C([N-]CCCN1CCc2ncc([N+](=O)[O-])cc2C1)C(F)(F)F ZINC000754219712 579898712 /nfs/dbraw/zinc/89/87/12/579898712.db2.gz UQEFNVNSYSSEND-UHFFFAOYSA-N -1 1 332.282 1.417 20 5 EDBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCC(F)(F)F ZINC000769048776 580226456 /nfs/dbraw/zinc/22/64/56/580226456.db2.gz MLNGTSCUZBXMGX-ZCFIWIBFSA-N -1 1 336.222 1.524 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000771751382 580292881 /nfs/dbraw/zinc/29/28/81/580292881.db2.gz MVSHMVVFZKJKRD-SSDOTTSWSA-N -1 1 344.324 1.773 20 5 EDBDMM CN1C(=O)CN([N-]C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1=O ZINC000776246014 580412602 /nfs/dbraw/zinc/41/26/02/580412602.db2.gz ZDXBPIWZRHUQSA-UHFFFAOYSA-N -1 1 334.313 1.348 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)cc1 ZINC000738361735 599011186 /nfs/dbraw/zinc/01/11/86/599011186.db2.gz ZLCHKWNZKPMDOF-UHFFFAOYSA-N -1 1 336.271 1.887 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)cc1 ZINC000738361735 599011188 /nfs/dbraw/zinc/01/11/88/599011188.db2.gz ZLCHKWNZKPMDOF-UHFFFAOYSA-N -1 1 336.271 1.887 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COC[C@@H]1C1CC1 ZINC000908415592 592487564 /nfs/dbraw/zinc/48/75/64/592487564.db2.gz SKYJBULYUQDLTJ-MWLCHTKSSA-N -1 1 330.337 1.437 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCN2CCC2)cc1Cl ZINC000809828000 593362837 /nfs/dbraw/zinc/36/28/37/593362837.db2.gz GFLGTKORSCAVFR-UHFFFAOYSA-N -1 1 337.760 1.371 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)co1 ZINC000812813356 593510029 /nfs/dbraw/zinc/51/00/29/593510029.db2.gz JFIASGAUDCHBKR-UHFFFAOYSA-N -1 1 344.349 1.226 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]1Cn1cccn1 ZINC000823619737 594222016 /nfs/dbraw/zinc/22/20/16/594222016.db2.gz AAYLZWOJMPJXHX-SNVBAGLBSA-N -1 1 341.335 1.035 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]1Cn1cccn1 ZINC000823619737 594222017 /nfs/dbraw/zinc/22/20/17/594222017.db2.gz AAYLZWOJMPJXHX-SNVBAGLBSA-N -1 1 341.335 1.035 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCOC2(CCC2)C1 ZINC000823621183 594222045 /nfs/dbraw/zinc/22/20/45/594222045.db2.gz YIZRLDUJPYGZDH-VIFPVBQESA-N -1 1 331.336 1.684 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCOC2(CCC2)C1 ZINC000823621183 594222046 /nfs/dbraw/zinc/22/20/46/594222046.db2.gz YIZRLDUJPYGZDH-VIFPVBQESA-N -1 1 331.336 1.684 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(F)cc1 ZINC000823625553 594222564 /nfs/dbraw/zinc/22/25/64/594222564.db2.gz YKKMMTAXABDJGU-UHFFFAOYSA-N -1 1 329.295 1.964 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(F)cc1 ZINC000823625553 594222565 /nfs/dbraw/zinc/22/25/65/594222565.db2.gz YKKMMTAXABDJGU-UHFFFAOYSA-N -1 1 329.295 1.964 20 5 EDBDMM O=[N+]([O-])c1cnn(CCNc2ccc(Cl)c(-c3nnn[n-]3)n2)c1 ZINC000823652273 594224871 /nfs/dbraw/zinc/22/48/71/594224871.db2.gz YBRFPSKGGSPOBR-UHFFFAOYSA-N -1 1 335.715 1.132 20 5 EDBDMM O=[N+]([O-])c1cnn(CCNc2ccc(Cl)c(-c3nn[n-]n3)n2)c1 ZINC000823652273 594224872 /nfs/dbraw/zinc/22/48/72/594224872.db2.gz YBRFPSKGGSPOBR-UHFFFAOYSA-N -1 1 335.715 1.132 20 5 EDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CO1 ZINC000828288613 594383765 /nfs/dbraw/zinc/38/37/65/594383765.db2.gz NVWVVRCJQMUDQV-NKWVEPMBSA-N -1 1 338.744 1.843 20 5 EDBDMM O=c1ccn(-c2snc(Cl)c2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000826501983 594503942 /nfs/dbraw/zinc/50/39/42/594503942.db2.gz OYNWJNGZACVTHW-UHFFFAOYSA-N -1 1 325.697 1.036 20 5 EDBDMM O=c1ccn(-c2snc(Cl)c2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826501983 594503944 /nfs/dbraw/zinc/50/39/44/594503944.db2.gz OYNWJNGZACVTHW-UHFFFAOYSA-N -1 1 325.697 1.036 20 5 EDBDMM COCCN(CCC(=O)[O-])C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000831730104 594696969 /nfs/dbraw/zinc/69/69/69/594696969.db2.gz VQSRVIRXAOEAGN-UHFFFAOYSA-N -1 1 328.325 1.005 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000831738612 594697752 /nfs/dbraw/zinc/69/77/52/594697752.db2.gz MOMIDXXBOXZMBH-VIFPVBQESA-N -1 1 326.309 1.354 20 5 EDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2nccn21 ZINC000832419802 594749134 /nfs/dbraw/zinc/74/91/34/594749134.db2.gz CZUSUJOVXLZLDY-IONNQARKSA-N -1 1 328.375 1.837 20 5 EDBDMM C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2nccn21 ZINC000832427093 594749623 /nfs/dbraw/zinc/74/96/23/594749623.db2.gz QNZYOVSYEKEHRD-WPRPVWTQSA-N -1 1 340.336 1.915 20 5 EDBDMM Cc1c(NC(=O)[C@H](C)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857501 594781422 /nfs/dbraw/zinc/78/14/22/594781422.db2.gz QJSOKOQGEVLNER-ADEWGFFLSA-N -1 1 335.360 1.883 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@](F)(C(=O)[O-])C1 ZINC000832905862 594784344 /nfs/dbraw/zinc/78/43/44/594784344.db2.gz XNPHUIWQGRBFCK-HNNXBMFYSA-N -1 1 339.323 1.730 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC[C@@H]2C)cc1F ZINC000867191573 594993163 /nfs/dbraw/zinc/99/31/63/594993163.db2.gz PASNZFYRXMANGF-ONGXEEELSA-N -1 1 332.353 1.746 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000867565518 596434050 /nfs/dbraw/zinc/43/40/50/596434050.db2.gz VREFQUHXULPUQR-ZWNOBZJWSA-N -1 1 344.364 1.888 20 5 EDBDMM O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000557576372 306229691 /nfs/dbraw/zinc/22/96/91/306229691.db2.gz GKOYZPDKCUZUCG-QMMMGPOBSA-N -1 1 336.739 1.781 20 5 EDBDMM O=C(NC[C@]1(O)CCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187201874 236145806 /nfs/dbraw/zinc/14/58/06/236145806.db2.gz RTXAQBWASJOOTK-MRXNPFEDSA-N -1 1 329.312 1.259 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)s1 ZINC000416662296 251103320 /nfs/dbraw/zinc/10/33/20/251103320.db2.gz ODVDREFSPZKVOH-SSDOTTSWSA-N -1 1 341.361 1.274 20 5 EDBDMM C[S@@](=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000175279544 207111839 /nfs/dbraw/zinc/11/18/39/207111839.db2.gz UXYIMIPQOQGACG-HSZRJFAPSA-N -1 1 335.341 1.363 20 5 EDBDMM O=C([O-])[C@@H]1CCCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000262616743 139290427 /nfs/dbraw/zinc/29/04/27/139290427.db2.gz BRQHGZQBVKLXAG-LLVKDONJSA-N -1 1 332.316 1.941 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2(SC)CCC2)c([N+](=O)[O-])n1 ZINC000331890099 141094517 /nfs/dbraw/zinc/09/45/17/141094517.db2.gz AETKOKYOYUYILH-UHFFFAOYSA-N -1 1 334.423 1.375 20 5 EDBDMM CC(C)(NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[n-]n1 ZINC000340211970 142304796 /nfs/dbraw/zinc/30/47/96/142304796.db2.gz HPLSDACRAIGGHF-UHFFFAOYSA-N -1 1 329.320 1.183 20 5 EDBDMM O=C(NCc1ncn(-c2ccccc2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360935482 152257072 /nfs/dbraw/zinc/25/70/72/152257072.db2.gz WEZSXRCXBQHXKO-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000374228591 157203642 /nfs/dbraw/zinc/20/36/42/157203642.db2.gz IAHOQXWAIMSHIF-CYBMUJFWSA-N -1 1 329.312 1.989 20 5 EDBDMM CC[C@H](NC(=O)c1cc(=O)n2[n-]cnc2n1)c1cccc([N+](=O)[O-])c1 ZINC000352391663 162157741 /nfs/dbraw/zinc/15/77/41/162157741.db2.gz NFAZFTLLZIESOR-NSHDSACASA-N -1 1 342.315 1.207 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCSC2(CCOCC2)C1 ZINC000274688793 268185110 /nfs/dbraw/zinc/18/51/10/268185110.db2.gz ZNCNKFADFUDHND-UHFFFAOYSA-N -1 1 339.373 1.434 20 5 EDBDMM CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000286760140 288080224 /nfs/dbraw/zinc/08/02/24/288080224.db2.gz XLNVXAOMLWNVMB-BXKDBHETSA-N -1 1 336.348 1.119 20 5 EDBDMM O=c1nc([C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)[nH][n-]1 ZINC000291995766 289234731 /nfs/dbraw/zinc/23/47/31/289234731.db2.gz QXBBUOIEZGCRLE-SNVBAGLBSA-N -1 1 340.343 1.938 20 5 EDBDMM COc1ccc(CNC(=O)C(=O)c2ccc([O-])cc2)cc1[N+](=O)[O-] ZINC000436922520 305169847 /nfs/dbraw/zinc/16/98/47/305169847.db2.gz NYBJMQBSBRJXBW-UHFFFAOYSA-N -1 1 330.296 1.808 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(C)cs2)c([N+](=O)[O-])n1 ZINC000451807629 305370394 /nfs/dbraw/zinc/37/03/94/305370394.db2.gz ZAIJEXXGOJSHLV-UHFFFAOYSA-N -1 1 330.391 1.660 20 5 EDBDMM Cc1ccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000111355905 441535574 /nfs/dbraw/zinc/53/55/74/441535574.db2.gz BAQLEXORYLQUFF-UHFFFAOYSA-N -1 1 327.387 1.881 20 5 EDBDMM CN(CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC(F)(F)F ZINC000122888211 441866395 /nfs/dbraw/zinc/86/63/95/441866395.db2.gz JYQVQYZCLAABHC-UHFFFAOYSA-N -1 1 336.270 1.309 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@@H](CN2CCOCC2)C1 ZINC000179493775 442466095 /nfs/dbraw/zinc/46/60/95/442466095.db2.gz CPZWJBMACGAGNM-ZDUSSCGKSA-N -1 1 349.387 1.485 20 5 EDBDMM O=C(NCc1ccccc1-n1ccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187011446 442645283 /nfs/dbraw/zinc/64/52/83/442645283.db2.gz HNCWLTCPJUDCKH-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM O=C([N-]N1CCCCC1=O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181265647 442687319 /nfs/dbraw/zinc/68/73/19/442687319.db2.gz ZLAQMTODKZVJAE-UHFFFAOYSA-N -1 1 329.259 1.854 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[C@@H]1O ZINC000188125252 442714245 /nfs/dbraw/zinc/71/42/45/442714245.db2.gz HLYYXLJUBVDARC-MNOVXSKESA-N -1 1 334.781 1.686 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000181228346 318481161 /nfs/dbraw/zinc/48/11/61/318481161.db2.gz LKMUOUGHQBYURQ-CQSZACIVSA-N -1 1 343.339 1.779 20 5 EDBDMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195480491 443023220 /nfs/dbraw/zinc/02/32/20/443023220.db2.gz LUJPGQGWPGDMOW-WRWORJQWSA-N -1 1 347.780 1.051 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000268857685 443128778 /nfs/dbraw/zinc/12/87/78/443128778.db2.gz QFXQJRXWPADOEM-LLVKDONJSA-N -1 1 330.300 1.384 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(C)c1[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000278683642 443402171 /nfs/dbraw/zinc/40/21/71/443402171.db2.gz YXGHVHZCUPGNHU-SNVBAGLBSA-N -1 1 329.378 1.430 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3cccc(O)c3C2)s1 ZINC000428423475 319911746 /nfs/dbraw/zinc/91/17/46/319911746.db2.gz OURYVXDTRIZSDF-SECBINFHSA-N -1 1 340.382 1.808 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H](O)C2CC2)cc1Cl ZINC000281265419 443863938 /nfs/dbraw/zinc/86/39/38/443863938.db2.gz VWFBGDVATWFQOA-SNVBAGLBSA-N -1 1 338.744 1.437 20 5 EDBDMM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000277076129 443903221 /nfs/dbraw/zinc/90/32/21/443903221.db2.gz OALUDGFEFLWORP-HTQZYQBOSA-N -1 1 334.336 1.818 20 5 EDBDMM CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000285734368 444090611 /nfs/dbraw/zinc/09/06/11/444090611.db2.gz KPFMKKOBHJHSDQ-KCJUWKMLSA-N -1 1 333.304 1.021 20 5 EDBDMM CC1(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)OCCO1 ZINC000278110022 444098827 /nfs/dbraw/zinc/09/88/27/444098827.db2.gz KLNNVVMVMWMIMF-UHFFFAOYSA-N -1 1 337.332 1.311 20 5 EDBDMM C[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290674271 444309110 /nfs/dbraw/zinc/30/91/10/444309110.db2.gz GQFJOIPYEZIYAS-LURJTMIESA-N -1 1 326.733 1.437 20 5 EDBDMM Cc1cc(S(N)(=O)=O)cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000321121590 444334109 /nfs/dbraw/zinc/33/41/09/444334109.db2.gz CWKJNILMBVQVAJ-UHFFFAOYSA-N -1 1 338.345 1.439 20 5 EDBDMM COC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000343776023 444583280 /nfs/dbraw/zinc/58/32/80/444583280.db2.gz UPTUTCZPNFLPPG-UHFFFAOYSA-N -1 1 331.284 1.412 20 5 EDBDMM CSc1nnc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)s1 ZINC000338877117 444907856 /nfs/dbraw/zinc/90/78/56/444907856.db2.gz JHLYNHVUXJZWMX-UHFFFAOYSA-N -1 1 327.347 1.199 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2cccs2)c([N+](=O)[O-])n1 ZINC000339039528 445001525 /nfs/dbraw/zinc/00/15/25/445001525.db2.gz KIVTWUFFEMKFCN-SECBINFHSA-N -1 1 344.418 1.782 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000351860111 445345677 /nfs/dbraw/zinc/34/56/77/445345677.db2.gz YGJXTOFYZJASKW-UHFFFAOYSA-N -1 1 348.315 1.712 20 5 EDBDMM CC(C)(NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000359783474 445426492 /nfs/dbraw/zinc/42/64/92/445426492.db2.gz HXYUKPQICSACLO-UHFFFAOYSA-N -1 1 333.352 1.352 20 5 EDBDMM COc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(Cl)cc1C(N)=O ZINC000357244550 445503280 /nfs/dbraw/zinc/50/32/80/445503280.db2.gz IAQUOTHBGVGMPB-UHFFFAOYSA-N -1 1 338.707 1.936 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000365780245 446340878 /nfs/dbraw/zinc/34/08/78/446340878.db2.gz JLVLOMQWXLCCLE-NEPJUHHUSA-N -1 1 335.360 1.974 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(C(=O)N2CCCC2)CC1 ZINC000444827199 447138392 /nfs/dbraw/zinc/13/83/92/447138392.db2.gz OSSJOVLCEXBXMB-UHFFFAOYSA-N -1 1 348.359 1.170 20 5 EDBDMM COCc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000525186323 447973764 /nfs/dbraw/zinc/97/37/64/447973764.db2.gz RAFWBGFOYHGCFY-UHFFFAOYSA-N -1 1 337.357 1.615 20 5 EDBDMM CC(=O)Nc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000525771255 448023022 /nfs/dbraw/zinc/02/30/22/448023022.db2.gz NGAASHUONBYYQQ-UHFFFAOYSA-N -1 1 330.300 1.584 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000611106670 449170414 /nfs/dbraw/zinc/17/04/14/449170414.db2.gz VZOOOLRQKIBIHC-LLVKDONJSA-N -1 1 346.409 1.031 20 5 EDBDMM Cc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000604286142 449202446 /nfs/dbraw/zinc/20/24/46/449202446.db2.gz OTAIBMUELLIVBF-CQSZACIVSA-N -1 1 338.327 1.936 20 5 EDBDMM O=C(N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598776550 449596021 /nfs/dbraw/zinc/59/60/21/449596021.db2.gz NOYNIRNDMCYTQR-IACUBPJLSA-N -1 1 329.287 1.903 20 5 EDBDMM CCn1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)nn1 ZINC000594839967 449747924 /nfs/dbraw/zinc/74/79/24/449747924.db2.gz UWNGFWMJXKBGDP-UHFFFAOYSA-N -1 1 331.379 1.055 20 5 EDBDMM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000619872566 450348710 /nfs/dbraw/zinc/34/87/10/450348710.db2.gz ZUKPWATXQAFLTE-UHFFFAOYSA-N -1 1 336.279 1.842 20 5 EDBDMM CCC1(CC)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC[S@]1=O ZINC000184058306 529075284 /nfs/dbraw/zinc/07/52/84/529075284.db2.gz LFZCXQWTYZGYTN-QHCPKHFHSA-N -1 1 341.389 1.459 20 5 EDBDMM C[C@@H](O)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000751249789 579799195 /nfs/dbraw/zinc/79/91/95/579799195.db2.gz SJCPXYYTHQKXAI-SNVBAGLBSA-N -1 1 337.357 1.522 20 5 EDBDMM Cc1ncc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000771968405 580299823 /nfs/dbraw/zinc/29/98/23/580299823.db2.gz FNMWSFYCHRAPPD-UHFFFAOYSA-N -1 1 328.375 1.276 20 5 EDBDMM Cc1cc([N+](=O)[O-])cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1F ZINC000791030144 580783175 /nfs/dbraw/zinc/78/31/75/580783175.db2.gz AOIINGFBXAFAQY-UHFFFAOYSA-N -1 1 329.291 1.950 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COC[C@@H]1C1CC1 ZINC000908415591 592487276 /nfs/dbraw/zinc/48/72/76/592487276.db2.gz SKYJBULYUQDLTJ-KOLCDFICSA-N -1 1 330.337 1.437 20 5 EDBDMM CC(=O)NC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)C1 ZINC000819802566 593770301 /nfs/dbraw/zinc/77/03/01/593770301.db2.gz FOGNQEYGRVVBLJ-NSHDSACASA-N -1 1 345.363 1.127 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823620518 594221972 /nfs/dbraw/zinc/22/19/72/594221972.db2.gz MPHWGNMBMCOBGX-GDPRMGEGSA-N -1 1 331.336 1.539 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823620518 594221973 /nfs/dbraw/zinc/22/19/73/594221973.db2.gz MPHWGNMBMCOBGX-GDPRMGEGSA-N -1 1 331.336 1.539 20 5 EDBDMM O=[N+]([O-])c1cc(NCCCOC2CCOCC2)ccc1-c1nn[n-]n1 ZINC000823635192 594223548 /nfs/dbraw/zinc/22/35/48/594223548.db2.gz SKVLLLVCNDIAQP-UHFFFAOYSA-N -1 1 348.363 1.773 20 5 EDBDMM O=[N+]([O-])c1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000823646101 594224380 /nfs/dbraw/zinc/22/43/80/594224380.db2.gz ZYBDYMPELCTDPY-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM O=[N+]([O-])c1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000823646101 594224381 /nfs/dbraw/zinc/22/43/81/594224381.db2.gz ZYBDYMPELCTDPY-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1[N+](=O)[O-] ZINC000827552456 594231487 /nfs/dbraw/zinc/23/14/87/594231487.db2.gz VTFNQVZCNHWULC-BDAKNGLRSA-N -1 1 337.336 1.237 20 5 EDBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826439872 594477623 /nfs/dbraw/zinc/47/76/23/594477623.db2.gz OKNCOINAOXUOQK-UHFFFAOYSA-N -1 1 339.315 1.142 20 5 EDBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826439872 594477626 /nfs/dbraw/zinc/47/76/26/594477626.db2.gz OKNCOINAOXUOQK-UHFFFAOYSA-N -1 1 339.315 1.142 20 5 EDBDMM O=[N+]([O-])c1cc(NCCOc2cccnc2)ccc1-c1nn[n-]n1 ZINC000826498269 594502578 /nfs/dbraw/zinc/50/25/78/594502578.db2.gz NTVJOESJKMTLGY-UHFFFAOYSA-N -1 1 327.304 1.661 20 5 EDBDMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000829246707 594587249 /nfs/dbraw/zinc/58/72/49/594587249.db2.gz ADKYCBLFMCCGNO-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1[N+](=O)[O-] ZINC000827097184 594640088 /nfs/dbraw/zinc/64/00/88/594640088.db2.gz HAVHHJSIJUAVSX-UHFFFAOYSA-N -1 1 340.336 1.147 20 5 EDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827369221 594665441 /nfs/dbraw/zinc/66/54/41/594665441.db2.gz RASIEPZOFIWGRK-NSHDSACASA-N -1 1 336.348 1.608 20 5 EDBDMM CC(C)C[C@H](NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833482933 594856696 /nfs/dbraw/zinc/85/66/96/594856696.db2.gz UNFGJXOBUFPUEH-RISCZKNCSA-N -1 1 337.376 1.861 20 5 EDBDMM CC[C@H](CO)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844212247 595303273 /nfs/dbraw/zinc/30/32/73/595303273.db2.gz STYOTDMAHJSMTD-CYBMUJFWSA-N -1 1 337.376 1.115 20 5 EDBDMM CC(C)(O)CCSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000848443923 595381579 /nfs/dbraw/zinc/38/15/79/595381579.db2.gz GAUINKRDUBZDJW-UHFFFAOYSA-N -1 1 326.374 1.745 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000872558467 596964235 /nfs/dbraw/zinc/96/42/35/596964235.db2.gz NAJKGZPRACKJAG-SCVCMEIPSA-N -1 1 344.364 1.970 20 5 EDBDMM CC(C)[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])NC(=O)[O-] ZINC000738795232 602787426 /nfs/dbraw/zinc/78/74/26/602787426.db2.gz VKXQUEVIBBTCBI-SECBINFHSA-N -1 1 349.340 1.304 20 5 EDBDMM O=C(c1ncccc1[O-])N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685375 231005428 /nfs/dbraw/zinc/00/54/28/231005428.db2.gz USDMQMRTBPGYAQ-SNVBAGLBSA-N -1 1 329.316 1.417 20 5 EDBDMM CCc1nc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)sc1C ZINC000101952198 219175871 /nfs/dbraw/zinc/17/58/71/219175871.db2.gz JMLVHNVCBMCENI-UHFFFAOYSA-N -1 1 336.373 1.995 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccn(C(C)C)n2)c([N+](=O)[O-])n1 ZINC000561485054 306288305 /nfs/dbraw/zinc/28/83/05/306288305.db2.gz CKSOMPXXZWFUKR-UHFFFAOYSA-N -1 1 342.381 1.067 20 5 EDBDMM CSC[C@](C)(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000228583765 139023371 /nfs/dbraw/zinc/02/33/71/139023371.db2.gz CWRYIUYWESWXGH-LLVKDONJSA-N -1 1 338.382 1.126 20 5 EDBDMM O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])NC1(c2nn[n-]n2)CCCC1 ZINC000491842404 255151658 /nfs/dbraw/zinc/15/16/58/255151658.db2.gz FXQQUZIKRRWFGN-XQRVVYSFSA-N -1 1 346.322 1.846 20 5 EDBDMM CNC(=O)c1[nH]nnc1NC(=O)c1ccc([N+](=O)[O-])c(OC(C)C)c1 ZINC000415798045 304273509 /nfs/dbraw/zinc/27/35/09/304273509.db2.gz BXNMTCMLWLARLX-UHFFFAOYSA-N -1 1 348.319 1.112 20 5 EDBDMM COc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc([N+](=O)[O-])c1C ZINC000190215379 533510473 /nfs/dbraw/zinc/51/04/73/533510473.db2.gz KKYBSIUBVYCEEH-MRVPVSSYSA-N -1 1 334.336 1.301 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000270483098 140109012 /nfs/dbraw/zinc/10/90/12/140109012.db2.gz JTALWGAQRMGGMK-VIFPVBQESA-N -1 1 346.258 1.326 20 5 EDBDMM COC[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000272709218 140499916 /nfs/dbraw/zinc/49/99/16/140499916.db2.gz UXGPRXMSBNGSPG-VIFPVBQESA-N -1 1 338.769 1.188 20 5 EDBDMM COC(=O)[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000345071261 143046772 /nfs/dbraw/zinc/04/67/72/143046772.db2.gz DXRAQQJQPLYDTP-JQWIXIFHSA-N -1 1 337.332 1.355 20 5 EDBDMM COc1ccc2c(c1)OCCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000367352313 154085832 /nfs/dbraw/zinc/08/58/32/154085832.db2.gz BDDFVYCJYUYOEZ-UHFFFAOYSA-N -1 1 345.311 1.739 20 5 EDBDMM O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000373835677 157026018 /nfs/dbraw/zinc/02/60/18/157026018.db2.gz MJGINVIPNKOKRC-MNOVXSKESA-N -1 1 348.359 1.216 20 5 EDBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000352550933 162246720 /nfs/dbraw/zinc/24/67/20/162246720.db2.gz MKUKLWCNBZLDEA-NSHDSACASA-N -1 1 334.419 1.732 20 5 EDBDMM CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122023235 287376866 /nfs/dbraw/zinc/37/68/66/287376866.db2.gz BAVCMRAFIPMLGO-NSHDSACASA-N -1 1 336.797 1.934 20 5 EDBDMM CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275379162 268333066 /nfs/dbraw/zinc/33/30/66/268333066.db2.gz LVCHJRWILMHDOL-JQWIXIFHSA-N -1 1 347.331 1.172 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ncn(C)n1 ZINC000275738044 273124203 /nfs/dbraw/zinc/12/42/03/273124203.db2.gz ZAQYBUTZCNRQJJ-ZETCQYMHSA-N -1 1 345.768 1.416 20 5 EDBDMM Cc1cccc(OC[C@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000278018979 273241317 /nfs/dbraw/zinc/24/13/17/273241317.db2.gz ZGNDJTVNNNPHIP-GFCCVEGCSA-N -1 1 347.327 1.174 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])n1 ZINC000429903794 305039874 /nfs/dbraw/zinc/03/98/74/305039874.db2.gz RRCUQIHCIVTFAG-MRVPVSSYSA-N -1 1 338.336 1.525 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000433454673 305109549 /nfs/dbraw/zinc/10/95/49/305109549.db2.gz GJXYUTIEBBUAKW-RKDXNWHRSA-N -1 1 336.391 1.129 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2ccccc2C1 ZINC000525185325 305823371 /nfs/dbraw/zinc/82/33/71/305823371.db2.gz ACEKTSUUTTUSFM-CYBMUJFWSA-N -1 1 333.369 1.826 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCC1CCOCC1 ZINC000556325923 306209999 /nfs/dbraw/zinc/20/99/99/306209999.db2.gz NLNKQOOTNGOPMN-UHFFFAOYSA-N -1 1 329.378 1.475 20 5 EDBDMM O=C(NC[C@H]1CCOc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000108900629 441480050 /nfs/dbraw/zinc/48/00/50/441480050.db2.gz USHFTSWXFKRKKH-SNVBAGLBSA-N -1 1 329.312 1.992 20 5 EDBDMM CC(C)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1=O ZINC000114743270 441681873 /nfs/dbraw/zinc/68/18/73/441681873.db2.gz QMAGGOYJGDWTQN-SNVBAGLBSA-N -1 1 345.352 1.022 20 5 EDBDMM CCC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000136661139 441713411 /nfs/dbraw/zinc/71/34/11/441713411.db2.gz MCUCQOUXOACPKN-LLVKDONJSA-N -1 1 338.755 1.961 20 5 EDBDMM CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc([N+](=O)[O-])c([O-])c1 ZINC000138379400 441789654 /nfs/dbraw/zinc/78/96/54/441789654.db2.gz XHJLIASATVXXBH-GFCCVEGCSA-N -1 1 337.357 1.656 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124829625 441957715 /nfs/dbraw/zinc/95/77/15/441957715.db2.gz FROFNPJSGXXDLA-JSGCOSHPSA-N -1 1 346.380 1.953 20 5 EDBDMM CCC[C@H](NC(=O)CCNc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000176751737 442253527 /nfs/dbraw/zinc/25/35/27/442253527.db2.gz GYBCLXJSLPPDKE-NSHDSACASA-N -1 1 333.352 1.568 20 5 EDBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000187351201 442671354 /nfs/dbraw/zinc/67/13/54/442671354.db2.gz DVUWLENHGMTHRG-AAEUAGOBSA-N -1 1 346.391 1.939 20 5 EDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1n[nH]c(-c2ccccc2F)n1 ZINC000181887458 442720653 /nfs/dbraw/zinc/72/06/53/442720653.db2.gz ZAPVPIGEHVADAD-UHFFFAOYSA-N -1 1 331.267 1.505 20 5 EDBDMM CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193677467 442766756 /nfs/dbraw/zinc/76/67/56/442766756.db2.gz JBGRRXVOWWNOCY-JOMGAKPTSA-N -1 1 341.389 1.505 20 5 EDBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000185465817 443203494 /nfs/dbraw/zinc/20/34/94/443203494.db2.gz FGKOJZRXYMZYPE-LBPRGKRZSA-N -1 1 347.375 1.324 20 5 EDBDMM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000269133210 443208139 /nfs/dbraw/zinc/20/81/39/443208139.db2.gz IUPVEDUXQDNOIY-XPTSAGLGSA-N -1 1 339.373 1.480 20 5 EDBDMM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000264764499 443412977 /nfs/dbraw/zinc/41/29/77/443412977.db2.gz ZDTYKPWFERSHIK-SNVBAGLBSA-N -1 1 348.352 1.600 20 5 EDBDMM CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000267577981 443503552 /nfs/dbraw/zinc/50/35/52/443503552.db2.gz YNEVAPRREKJWQT-UHFFFAOYSA-N -1 1 336.753 1.480 20 5 EDBDMM CC(=O)N(C[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000276194977 443666684 /nfs/dbraw/zinc/66/66/84/443666684.db2.gz CJKVXPDSZDRDHE-ZDUSSCGKSA-N -1 1 348.359 1.311 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCN1CC=CCC1 ZINC000280377075 443706597 /nfs/dbraw/zinc/70/65/97/443706597.db2.gz YZQAYYYAYHDKRQ-UHFFFAOYSA-N -1 1 345.808 1.788 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ncnn1C ZINC000276623696 443768764 /nfs/dbraw/zinc/76/87/64/443768764.db2.gz FKONNFRRCOLVAC-ZETCQYMHSA-N -1 1 345.768 1.416 20 5 EDBDMM CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000324295753 444352677 /nfs/dbraw/zinc/35/26/77/444352677.db2.gz STSATOUKLKEEND-UHFFFAOYSA-N -1 1 339.329 1.984 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccncc2F)c([N+](=O)[O-])n1 ZINC000337964793 444473952 /nfs/dbraw/zinc/47/39/52/444473952.db2.gz WIOGKJWWZFAXJM-MRVPVSSYSA-N -1 1 343.340 1.385 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)s1 ZINC000340890550 444561639 /nfs/dbraw/zinc/56/16/39/444561639.db2.gz VMKFIXRHQCBBOC-VIFPVBQESA-N -1 1 336.391 1.130 20 5 EDBDMM CCc1nn(C)c(Oc2ccc([N-]S(C)(=O)=O)nc2)c1[N+](=O)[O-] ZINC000340902956 444567810 /nfs/dbraw/zinc/56/78/10/444567810.db2.gz KLROCNZLTOZXFL-UHFFFAOYSA-N -1 1 341.349 1.450 20 5 EDBDMM CCC[C@H](NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1nn[n-]n1 ZINC000343720615 444544115 /nfs/dbraw/zinc/54/41/15/444544115.db2.gz ATFGPHIJTZFDGV-NSHDSACASA-N -1 1 329.320 1.860 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330457014 444988397 /nfs/dbraw/zinc/98/83/97/444988397.db2.gz PZYXLUAMILOARI-GMTAPVOTSA-N -1 1 330.410 1.914 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)[C@H](O)C(C)C)c([N+](=O)[O-])n1 ZINC000339050687 445009533 /nfs/dbraw/zinc/00/95/33/445009533.db2.gz URHGLRBMCOLYGP-LLVKDONJSA-N -1 1 348.425 1.133 20 5 EDBDMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000360201681 445625854 /nfs/dbraw/zinc/62/58/54/445625854.db2.gz DLTGTFDWGDLJOI-SNVBAGLBSA-N -1 1 347.418 1.193 20 5 EDBDMM C[C@H](CCC(=O)[O-])CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000390002664 325730641 /nfs/dbraw/zinc/73/06/41/325730641.db2.gz QIMREXSXJZLWKG-MRVPVSSYSA-N -1 1 334.325 1.513 20 5 EDBDMM Cc1noc(C2CCC(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000371912205 446975108 /nfs/dbraw/zinc/97/51/08/446975108.db2.gz FZBHHFJMTMBZCX-UHFFFAOYSA-N -1 1 347.331 1.843 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000444967696 447151304 /nfs/dbraw/zinc/15/13/04/447151304.db2.gz RJQHWMQBSANJNF-VXNVDRBHSA-N -1 1 335.238 1.223 20 5 EDBDMM CC(C)n1ncc2c1C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000368978106 447242666 /nfs/dbraw/zinc/24/26/66/447242666.db2.gz OLCHVXWOBUQJLP-LBPRGKRZSA-N -1 1 345.359 1.760 20 5 EDBDMM NC(=O)CN1CCc2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2C1 ZINC000447674802 447286420 /nfs/dbraw/zinc/28/64/20/447286420.db2.gz HBOVCEVHUCIOAN-UHFFFAOYSA-N -1 1 343.343 1.019 20 5 EDBDMM CN(C)c1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525174650 447973003 /nfs/dbraw/zinc/97/30/03/447973003.db2.gz KEYIIXKXLNGXFG-UHFFFAOYSA-N -1 1 336.373 1.534 20 5 EDBDMM CC[C@@H](CO)N1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000566292572 448437172 /nfs/dbraw/zinc/43/71/72/448437172.db2.gz URDGAJKJKGCDNX-LBPRGKRZSA-N -1 1 337.376 1.494 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc2c[nH]nc2c1 ZINC000585739843 448753428 /nfs/dbraw/zinc/75/34/28/448753428.db2.gz QTGKUXZXHZFFBA-UHFFFAOYSA-N -1 1 347.356 1.387 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000545201680 448776917 /nfs/dbraw/zinc/77/69/17/448776917.db2.gz RWNYVBVGQQDSHV-GHMZBOCLSA-N -1 1 327.362 1.226 20 5 EDBDMM C[C@H]1COCC[N@H+]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000579728706 448867142 /nfs/dbraw/zinc/86/71/42/448867142.db2.gz IOUSQOBVWVVSKD-ZDUSSCGKSA-N -1 1 335.404 1.986 20 5 EDBDMM O=C(CCOc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000611404202 449281658 /nfs/dbraw/zinc/28/16/58/449281658.db2.gz NITCBBYCRAIHMK-LLVKDONJSA-N -1 1 346.347 1.283 20 5 EDBDMM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000594423650 449508266 /nfs/dbraw/zinc/50/82/66/449508266.db2.gz YLXNKNHJBURZQK-SCZZXKLOSA-N -1 1 349.265 1.925 20 5 EDBDMM C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)OC(C)(C)C ZINC000594423061 449508596 /nfs/dbraw/zinc/50/85/96/449508596.db2.gz PZRFEHCREAPMRY-QMMMGPOBSA-N -1 1 325.321 1.403 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccncc1 ZINC000599245048 449827961 /nfs/dbraw/zinc/82/79/61/449827961.db2.gz PKMXUUOYUVREGQ-SNVBAGLBSA-N -1 1 325.350 1.153 20 5 EDBDMM COc1cccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000618237278 450090177 /nfs/dbraw/zinc/09/01/77/450090177.db2.gz IRNUBGSOIWTHRH-SECBINFHSA-N -1 1 332.320 1.136 20 5 EDBDMM COC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccncc1 ZINC000615835149 450255610 /nfs/dbraw/zinc/25/56/10/450255610.db2.gz CGCOHHZBTQUKFE-NSHDSACASA-N -1 1 346.299 1.125 20 5 EDBDMM Cc1ccc(CN(CCO)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000190173609 533898294 /nfs/dbraw/zinc/89/82/94/533898294.db2.gz PJFDJMQUJSUEJG-UHFFFAOYSA-N -1 1 331.328 1.639 20 5 EDBDMM O=C(NC[C@H]1OCCc2sccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000743728167 579489701 /nfs/dbraw/zinc/48/97/01/579489701.db2.gz KWEXLZFPSGLLOU-LLVKDONJSA-N -1 1 335.341 1.801 20 5 EDBDMM Cc1nccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000725826060 578284323 /nfs/dbraw/zinc/28/43/23/578284323.db2.gz LXMNEUVBOBKZJL-UHFFFAOYSA-N -1 1 342.764 1.825 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737372295 579081068 /nfs/dbraw/zinc/08/10/68/579081068.db2.gz CTYRMMRXAXMUSW-UHFFFAOYSA-N -1 1 325.288 1.731 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737372295 579081070 /nfs/dbraw/zinc/08/10/70/579081070.db2.gz CTYRMMRXAXMUSW-UHFFFAOYSA-N -1 1 325.288 1.731 20 5 EDBDMM O=C(COC(=O)c1ccc([N+](=O)[O-])cn1)[N-]C(=O)c1ccccc1 ZINC000761976963 580064654 /nfs/dbraw/zinc/06/46/54/580064654.db2.gz RPJDPYGWVGRZLU-UHFFFAOYSA-N -1 1 329.268 1.103 20 5 EDBDMM COc1cccc([C@@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000776345725 580415301 /nfs/dbraw/zinc/41/53/01/580415301.db2.gz LLCLLGLKQWPCJM-ZDUSSCGKSA-N -1 1 333.300 1.167 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000907766899 592783281 /nfs/dbraw/zinc/78/32/81/592783281.db2.gz PHAANKUCUAERTI-JQZRSOHWSA-N -1 1 328.321 1.188 20 5 EDBDMM CCOCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814992781 593608855 /nfs/dbraw/zinc/60/88/55/593608855.db2.gz OYWQIFUBIOOXQG-UHFFFAOYSA-N -1 1 326.733 1.702 20 5 EDBDMM O=C([O-])C[C@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000819385520 593753067 /nfs/dbraw/zinc/75/30/67/593753067.db2.gz WGJZQFHZSMQTFK-GFCCVEGCSA-N -1 1 345.359 1.998 20 5 EDBDMM CC(=O)Nc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819817783 593770905 /nfs/dbraw/zinc/77/09/05/593770905.db2.gz NBBIOBOSQIKSEM-UHFFFAOYSA-N -1 1 340.303 1.872 20 5 EDBDMM CC(=O)Nc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819817783 593770906 /nfs/dbraw/zinc/77/09/06/593770906.db2.gz NBBIOBOSQIKSEM-UHFFFAOYSA-N -1 1 340.303 1.872 20 5 EDBDMM CC(=O)c1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000824029134 593912044 /nfs/dbraw/zinc/91/20/44/593912044.db2.gz FIRCJWFVVZEINX-UHFFFAOYSA-N -1 1 340.299 1.952 20 5 EDBDMM CC(=O)c1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000824029134 593912047 /nfs/dbraw/zinc/91/20/47/593912047.db2.gz FIRCJWFVVZEINX-UHFFFAOYSA-N -1 1 340.299 1.952 20 5 EDBDMM COc1ccccc1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821898096 593962754 /nfs/dbraw/zinc/96/27/54/593962754.db2.gz MTMMNIOGFRHISL-UHFFFAOYSA-N -1 1 341.331 1.815 20 5 EDBDMM COc1ccccc1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821898096 593962755 /nfs/dbraw/zinc/96/27/55/593962755.db2.gz MTMMNIOGFRHISL-UHFFFAOYSA-N -1 1 341.331 1.815 20 5 EDBDMM CCc1[nH]nc(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000827551466 594230961 /nfs/dbraw/zinc/23/09/61/594230961.db2.gz POWIPYWWRHNVMX-SNVBAGLBSA-N -1 1 341.368 1.635 20 5 EDBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832975556 594788279 /nfs/dbraw/zinc/78/82/79/594788279.db2.gz CVYOMPNJNDODOK-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)O1 ZINC000833577239 594877924 /nfs/dbraw/zinc/87/79/24/594877924.db2.gz BVCIEWMDQCETKI-HNNXBMFYSA-N -1 1 347.371 1.864 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849414104 595523481 /nfs/dbraw/zinc/52/34/81/595523481.db2.gz AAHSMCMGQUTBDG-MWLCHTKSSA-N -1 1 348.352 1.064 20 5 EDBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129266966 597743173 /nfs/dbraw/zinc/74/31/73/597743173.db2.gz URMHAVZTFZJLAF-SNVBAGLBSA-N -1 1 345.363 1.194 20 5 EDBDMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000921499109 700452684 /nfs/dbraw/zinc/45/26/84/700452684.db2.gz RZXKINZBMNZUSW-MUWHJKNJSA-N -1 1 338.744 1.701 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)NC1CCCCC1 ZINC000058501308 138160292 /nfs/dbraw/zinc/16/02/92/138160292.db2.gz ISPOIVHVSBSXNF-UHFFFAOYSA-N -1 1 347.418 1.384 20 5 EDBDMM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000090168627 138277833 /nfs/dbraw/zinc/27/78/33/138277833.db2.gz HCEGQSKWCLAXNZ-VIFPVBQESA-N -1 1 342.402 1.455 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000565982282 306396200 /nfs/dbraw/zinc/39/62/00/306396200.db2.gz CDAYZNKVDNWFJY-VXGBXAGGSA-N -1 1 337.332 1.963 20 5 EDBDMM C[C@H](CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1)C(=O)[O-] ZINC000237376687 139049644 /nfs/dbraw/zinc/04/96/44/139049644.db2.gz HJBUGUYBQOUSQX-MRVPVSSYSA-N -1 1 332.316 1.796 20 5 EDBDMM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000263033520 139318932 /nfs/dbraw/zinc/31/89/32/139318932.db2.gz MXMTXMHUWZWBKH-NXEZZACHSA-N -1 1 348.315 1.175 20 5 EDBDMM COCCOc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000339724151 142134303 /nfs/dbraw/zinc/13/43/03/142134303.db2.gz XCUVYUSIIGTQGO-UHFFFAOYSA-N -1 1 347.327 1.651 20 5 EDBDMM CN(C)C(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000347130377 143286009 /nfs/dbraw/zinc/28/60/09/143286009.db2.gz KDPCNWIKOXYKFG-UHFFFAOYSA-N -1 1 344.327 1.327 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000362292525 152671706 /nfs/dbraw/zinc/67/17/06/152671706.db2.gz CFQDECSMXTYCEC-RYUDHWBXSA-N -1 1 335.360 1.974 20 5 EDBDMM O=c1[n-]nc(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)o1 ZINC000367360592 154088490 /nfs/dbraw/zinc/08/84/90/154088490.db2.gz BZXVIPSZKGKWJQ-UHFFFAOYSA-N -1 1 336.333 1.777 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2nccs2)c([N+](=O)[O-])n1 ZINC000352132811 162002014 /nfs/dbraw/zinc/00/20/14/162002014.db2.gz AASPRANVOCUSSA-MRVPVSSYSA-N -1 1 345.406 1.350 20 5 EDBDMM O=C(NC[C@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000364231411 162321692 /nfs/dbraw/zinc/32/16/92/162321692.db2.gz VUZHBAQUPRHOEF-CQSZACIVSA-N -1 1 329.312 1.739 20 5 EDBDMM CC1([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)OCCO1 ZINC000273442026 273040123 /nfs/dbraw/zinc/04/01/23/273040123.db2.gz GGKZSCWAPQCBCC-SNVBAGLBSA-N -1 1 337.332 1.311 20 5 EDBDMM CC(=O)NCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146690063 278102190 /nfs/dbraw/zinc/10/21/90/278102190.db2.gz YMADEBTVJDCPAK-UHFFFAOYSA-N -1 1 335.769 1.053 20 5 EDBDMM O=c1nc(C2CCN(c3c4ccccc4ncc3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000291785205 289179622 /nfs/dbraw/zinc/17/96/22/289179622.db2.gz CTPFOWAIIJNDQX-UHFFFAOYSA-N -1 1 340.343 1.938 20 5 EDBDMM O=C(NCc1cccc(N2CCC2=O)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000443054587 305234234 /nfs/dbraw/zinc/23/42/34/305234234.db2.gz XLZKYNWKDDOOCN-UHFFFAOYSA-N -1 1 342.311 1.362 20 5 EDBDMM CC(C)(C)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000536523381 306021205 /nfs/dbraw/zinc/02/12/05/306021205.db2.gz MLFYFFDTPRTORP-JQWIXIFHSA-N -1 1 343.405 1.862 20 5 EDBDMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1F ZINC000014256468 441181587 /nfs/dbraw/zinc/18/15/87/441181587.db2.gz AHCPRYXPGDDPEA-UHFFFAOYSA-N -1 1 328.325 1.885 20 5 EDBDMM O=C1COc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2N1 ZINC000074984499 441484378 /nfs/dbraw/zinc/48/43/78/441484378.db2.gz GRKLLYAPDIXJKO-UHFFFAOYSA-N -1 1 349.324 1.727 20 5 EDBDMM CCC[C@@H](NC(=O)c1ccc(OCC)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000136666250 441712869 /nfs/dbraw/zinc/71/28/69/441712869.db2.gz JKJSIQYFECBLAB-SNVBAGLBSA-N -1 1 334.336 1.778 20 5 EDBDMM O=[N+]([O-])c1cccc(-c2cc([N-]S(=O)(=O)c3c[nH]cn3)[nH]n2)c1 ZINC000153190385 442266499 /nfs/dbraw/zinc/26/64/99/442266499.db2.gz WMANGELUEDKYRJ-UHFFFAOYSA-N -1 1 334.317 1.509 20 5 EDBDMM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1CC(C)(C)O ZINC000188608683 442769258 /nfs/dbraw/zinc/76/92/58/442769258.db2.gz OGZCLKLHCFEDJS-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM CN(CCC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268268976 442924872 /nfs/dbraw/zinc/92/48/72/442924872.db2.gz BFFZGRBGLCDWBA-UHFFFAOYSA-N -1 1 325.321 1.499 20 5 EDBDMM C[C@H](CN(C)C(=O)CCNc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000183449704 442932457 /nfs/dbraw/zinc/93/24/57/442932457.db2.gz LLXMIXNMBKIFKU-SNVBAGLBSA-N -1 1 333.352 1.172 20 5 EDBDMM COc1c(C)cnc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1C ZINC000299461612 444052529 /nfs/dbraw/zinc/05/25/29/444052529.db2.gz RFMQVEXNURCSBM-UHFFFAOYSA-N -1 1 346.343 1.988 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c([N+](=O)[O-])n1 ZINC000339044513 445005703 /nfs/dbraw/zinc/00/57/03/445005703.db2.gz NJEVYEMYRPOSPZ-ILDUYXDCSA-N -1 1 328.394 1.668 20 5 EDBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357039360 445388109 /nfs/dbraw/zinc/38/81/09/445388109.db2.gz BPMDOZHQEJPMFR-LLVKDONJSA-N -1 1 330.348 1.482 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000360215015 445633070 /nfs/dbraw/zinc/63/30/70/445633070.db2.gz IOOVIZQDXMECSZ-YPMHNXCESA-N -1 1 341.433 1.973 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1Cn1cccn1 ZINC000369322054 446073485 /nfs/dbraw/zinc/07/34/85/446073485.db2.gz PEASIZCRZONLBS-GFCCVEGCSA-N -1 1 331.332 1.587 20 5 EDBDMM COC(=O)[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC12CCC2 ZINC000365196401 446074785 /nfs/dbraw/zinc/07/47/85/446074785.db2.gz HMTUVPMSIMGCCX-SNVBAGLBSA-N -1 1 335.316 1.111 20 5 EDBDMM O=C(N[C@@H]1C[C@@H](CO)c2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370388713 446258116 /nfs/dbraw/zinc/25/81/16/446258116.db2.gz OMSSEBWEFOFXJS-GXFFZTMASA-N -1 1 329.312 1.646 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)s1 ZINC000362272872 446298847 /nfs/dbraw/zinc/29/88/47/446298847.db2.gz KUWASVAYSJUJLJ-SECBINFHSA-N -1 1 348.402 1.620 20 5 EDBDMM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000391808422 447517698 /nfs/dbraw/zinc/51/76/98/447517698.db2.gz HXVTTXONNXEVDU-MFKMUULPSA-N -1 1 346.336 1.656 20 5 EDBDMM Cc1cnc(C(=O)N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c([O-])c1 ZINC000427470966 447603345 /nfs/dbraw/zinc/60/33/45/447603345.db2.gz JLAKRXVJNWUKFD-NSHDSACASA-N -1 1 343.343 1.725 20 5 EDBDMM COCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C[C@H]1C ZINC000571331681 448138447 /nfs/dbraw/zinc/13/84/47/448138447.db2.gz TTYASZKEXNKSJR-GFCCVEGCSA-N -1 1 337.376 1.758 20 5 EDBDMM O=C(c1cc2cccc([N+](=O)[O-])c2[nH]1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539327126 448609014 /nfs/dbraw/zinc/60/90/14/448609014.db2.gz UMVNHJBUMSSUBF-SNVBAGLBSA-N -1 1 341.331 1.609 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000582247147 449048120 /nfs/dbraw/zinc/04/81/20/449048120.db2.gz FOJDHSPDOIRNFH-OAHLLOKOSA-N -1 1 332.316 1.941 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)on1 ZINC000132370594 533714616 /nfs/dbraw/zinc/71/46/16/533714616.db2.gz XKFNLXXMGQKLHT-UHFFFAOYSA-N -1 1 329.309 1.817 20 5 EDBDMM O=C(NC1CCN(CC(F)F)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000604511276 449241091 /nfs/dbraw/zinc/24/10/91/449241091.db2.gz PZHNCYMBDOLEBD-UHFFFAOYSA-N -1 1 330.291 1.155 20 5 EDBDMM CC(C)(C)N1C[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1=O ZINC000598380692 449372077 /nfs/dbraw/zinc/37/20/77/449372077.db2.gz FFLVGDXLIXPQJQ-VIFPVBQESA-N -1 1 336.348 1.072 20 5 EDBDMM COC(=O)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000600555733 449441842 /nfs/dbraw/zinc/44/18/42/449441842.db2.gz YJFSOBTUOGJGEQ-UTUOFQBUSA-N -1 1 349.343 1.499 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)on1 ZINC000595345883 450058811 /nfs/dbraw/zinc/05/88/11/450058811.db2.gz QGJVIZHHMCZQNR-UHFFFAOYSA-N -1 1 343.317 1.079 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](N2CCOCC2)CC1 ZINC000597619993 450149775 /nfs/dbraw/zinc/14/97/75/450149775.db2.gz MGLBJTVQKXTBBX-ZDUSSCGKSA-N -1 1 349.387 1.627 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)CC1 ZINC000186742260 534768444 /nfs/dbraw/zinc/76/84/44/534768444.db2.gz ZKDPPVQPWMVIJN-UHFFFAOYSA-N -1 1 328.328 1.658 20 5 EDBDMM O=C([O-])N1CCC[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000740512514 579355367 /nfs/dbraw/zinc/35/53/67/579355367.db2.gz PDIXUICKAWAHKO-ZDUSSCGKSA-N -1 1 349.391 1.502 20 5 EDBDMM COCCOC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000742312490 579447915 /nfs/dbraw/zinc/44/79/15/579447915.db2.gz MXQLMXXVEBVJLZ-VIFPVBQESA-N -1 1 336.341 1.064 20 5 EDBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000730011604 578606522 /nfs/dbraw/zinc/60/65/22/578606522.db2.gz AOKHMQGANONPNZ-UHFFFAOYSA-N -1 1 343.295 1.412 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1cccc(F)c1 ZINC000751264756 579799640 /nfs/dbraw/zinc/79/96/40/579799640.db2.gz XLTROUJYOARNOA-NSHDSACASA-N -1 1 341.320 1.141 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)COc3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000791168565 580785731 /nfs/dbraw/zinc/78/57/31/580785731.db2.gz YWVBFEBJPLTQRY-UHFFFAOYSA-N -1 1 327.300 1.268 20 5 EDBDMM COc1c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cccc1[N+](=O)[O-] ZINC000801704622 581083009 /nfs/dbraw/zinc/08/30/09/581083009.db2.gz RXJCUKUUIRHNRE-UHFFFAOYSA-N -1 1 327.300 1.511 20 5 EDBDMM C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019155 593610017 /nfs/dbraw/zinc/61/00/17/593610017.db2.gz ILSQNRCBCMCGPZ-ZETCQYMHSA-N -1 1 340.760 1.684 20 5 EDBDMM COc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821825276 593949470 /nfs/dbraw/zinc/94/94/70/593949470.db2.gz VPRXOLXBVNPCQH-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821825276 593949471 /nfs/dbraw/zinc/94/94/71/593949471.db2.gz VPRXOLXBVNPCQH-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM CC(C)[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824215580 593958595 /nfs/dbraw/zinc/95/85/95/593958595.db2.gz LNQHKGRDVIHTDZ-ONGXEEELSA-N -1 1 333.352 1.785 20 5 EDBDMM CC(C)[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824215580 593958596 /nfs/dbraw/zinc/95/85/96/593958596.db2.gz LNQHKGRDVIHTDZ-ONGXEEELSA-N -1 1 333.352 1.785 20 5 EDBDMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(N)c([N+](=O)[O-])c1 ZINC000821131852 593974007 /nfs/dbraw/zinc/97/40/07/593974007.db2.gz DKDNEJAQJOKOET-GFCCVEGCSA-N -1 1 345.377 1.651 20 5 EDBDMM Cc1n[nH]cc1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822016351 593982754 /nfs/dbraw/zinc/98/27/54/593982754.db2.gz YHGSIGYYZWHRDF-UHFFFAOYSA-N -1 1 329.324 1.246 20 5 EDBDMM Cc1n[nH]cc1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822016351 593982756 /nfs/dbraw/zinc/98/27/56/593982756.db2.gz YHGSIGYYZWHRDF-UHFFFAOYSA-N -1 1 329.324 1.246 20 5 EDBDMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c(N)c([N+](=O)[O-])c1 ZINC000822184404 594004541 /nfs/dbraw/zinc/00/45/41/594004541.db2.gz TYBFAEHMQNCCMO-UHFFFAOYSA-N -1 1 346.332 1.374 20 5 EDBDMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c(N)c([N+](=O)[O-])c1 ZINC000822184404 594004543 /nfs/dbraw/zinc/00/45/43/594004543.db2.gz TYBFAEHMQNCCMO-UHFFFAOYSA-N -1 1 346.332 1.374 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cn2c(n1)CCCC2 ZINC000823625521 594222714 /nfs/dbraw/zinc/22/27/14/594222714.db2.gz XNQOFRGFXNIKBO-UHFFFAOYSA-N -1 1 341.335 1.315 20 5 EDBDMM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1nc[nH]n1 ZINC000848585631 595409945 /nfs/dbraw/zinc/40/99/45/595409945.db2.gz NLLVNIMDDSCNJB-SSDOTTSWSA-N -1 1 327.247 1.562 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CC[C@H](C)O2)cc1F ZINC000867379082 595431335 /nfs/dbraw/zinc/43/13/35/595431335.db2.gz HKLNNSJUBRHNBD-VHSXEESVSA-N -1 1 332.353 1.888 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)s1 ZINC000867613443 596461289 /nfs/dbraw/zinc/46/12/89/596461289.db2.gz NVRZGCVEGDQOSH-JFIPXVDISA-N -1 1 330.387 1.358 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000065971610 215001713 /nfs/dbraw/zinc/00/17/13/215001713.db2.gz AUBPVXSULLLIAT-SSDOTTSWSA-N -1 1 335.407 1.238 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)CO)c(Cl)c1 ZINC000184295539 235358711 /nfs/dbraw/zinc/35/87/11/235358711.db2.gz OIZOFJGQSMPUMX-UHFFFAOYSA-N -1 1 330.696 1.154 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(CC(F)(F)F)CC1 ZINC000194579790 138995346 /nfs/dbraw/zinc/99/53/46/138995346.db2.gz DIYIXDNNFCRAFO-UHFFFAOYSA-N -1 1 348.281 1.406 20 5 EDBDMM C[C@@H](CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CC1)C(=O)[O-] ZINC000237467207 139052024 /nfs/dbraw/zinc/05/20/24/139052024.db2.gz HJBUGUYBQOUSQX-QMMMGPOBSA-N -1 1 332.316 1.796 20 5 EDBDMM C[C@@H](O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000119432843 221319279 /nfs/dbraw/zinc/31/92/79/221319279.db2.gz XEYHEEGVXWRIEW-DGCLKSJQSA-N -1 1 345.355 1.980 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O ZINC000270153645 140052397 /nfs/dbraw/zinc/05/23/97/140052397.db2.gz DHEKBYKPXVSBQG-LDYMZIIASA-N -1 1 334.781 1.688 20 5 EDBDMM Cc1c(CNC(=O)c2c[n-]c3c(cnn3C)c2=O)cccc1[N+](=O)[O-] ZINC000360529022 152082174 /nfs/dbraw/zinc/08/21/74/152082174.db2.gz OADLSZFILJPFMD-UHFFFAOYSA-N -1 1 341.327 1.821 20 5 EDBDMM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000363867932 153080176 /nfs/dbraw/zinc/08/01/76/153080176.db2.gz QRQWPPJPYVZYOZ-CQSZACIVSA-N -1 1 339.311 1.938 20 5 EDBDMM C[C@H]1OCC[C@]12CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279180681 268794490 /nfs/dbraw/zinc/79/44/90/268794490.db2.gz BRDZFKQIDLTNTH-FCHSOHFDSA-N -1 1 337.332 1.104 20 5 EDBDMM CCCCOC(=O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000273574360 273045781 /nfs/dbraw/zinc/04/57/81/273045781.db2.gz FRYPQVPEDBRHDK-UHFFFAOYSA-N -1 1 330.362 1.358 20 5 EDBDMM O=C(NCCCOC1CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275156962 273104353 /nfs/dbraw/zinc/10/43/53/273104353.db2.gz UAODELVSLCTLGK-UHFFFAOYSA-N -1 1 325.321 1.011 20 5 EDBDMM CC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000366528770 281154023 /nfs/dbraw/zinc/15/40/23/281154023.db2.gz FRYKHFWJDMZZKY-XHDPSFHLSA-N -1 1 337.332 1.106 20 5 EDBDMM CC[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000289899755 288799354 /nfs/dbraw/zinc/79/93/54/288799354.db2.gz PQBPZMCPCLKMAJ-LURJTMIESA-N -1 1 343.188 1.951 20 5 EDBDMM CC[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000297211108 303372983 /nfs/dbraw/zinc/37/29/83/303372983.db2.gz NIVMHRILUWABCQ-MRVPVSSYSA-N -1 1 334.325 1.513 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)s1 ZINC000543729102 306068158 /nfs/dbraw/zinc/06/81/58/306068158.db2.gz WBMOBLGVWZBZKI-UHFFFAOYSA-N -1 1 342.402 1.850 20 5 EDBDMM CC(C)(CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000548540809 306130992 /nfs/dbraw/zinc/13/09/92/306130992.db2.gz AARKEOPUKFFLIG-UHFFFAOYSA-N -1 1 348.352 1.903 20 5 EDBDMM O=C(NCCOc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([O-])cc1 ZINC000548797065 306138527 /nfs/dbraw/zinc/13/85/27/306138527.db2.gz XBQOQFSFPVKIDH-UHFFFAOYSA-N -1 1 330.296 1.678 20 5 EDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccn(-c2ccncc2)n1 ZINC000071092363 441139294 /nfs/dbraw/zinc/13/92/94/441139294.db2.gz SLHMACGFAPZNTN-UHFFFAOYSA-N -1 1 345.340 1.976 20 5 EDBDMM CN(CCN(C)c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000107775689 441429983 /nfs/dbraw/zinc/42/99/83/441429983.db2.gz NAXYNCCKNVWHRC-UHFFFAOYSA-N -1 1 330.344 1.904 20 5 EDBDMM COCCN1CCC[C@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000108400058 441451215 /nfs/dbraw/zinc/45/12/15/441451215.db2.gz LZKUCVQUXBQNKB-JTQLQIEISA-N -1 1 349.434 1.045 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000162746641 442120100 /nfs/dbraw/zinc/12/01/00/442120100.db2.gz JJMJKPCDRRNXLU-JQWIXIFHSA-N -1 1 344.364 1.970 20 5 EDBDMM CC(C)NC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170656728 442243816 /nfs/dbraw/zinc/24/38/16/442243816.db2.gz UOGMILMRWGRNHW-UHFFFAOYSA-N -1 1 335.769 1.051 20 5 EDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129513018 442320647 /nfs/dbraw/zinc/32/06/47/442320647.db2.gz NSMYKZMHZQWOQY-ABZNLYFFSA-N -1 1 328.332 1.527 20 5 EDBDMM Cc1cccn2cc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc12 ZINC000187080093 442651226 /nfs/dbraw/zinc/65/12/26/442651226.db2.gz OPXRRRFFAXYYRP-UHFFFAOYSA-N -1 1 327.300 1.582 20 5 EDBDMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccc([N+](=O)[O-])c1O ZINC000267913803 442784742 /nfs/dbraw/zinc/78/47/42/442784742.db2.gz GXFZBKJOZGIKHL-UHFFFAOYSA-N -1 1 348.315 1.200 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1O ZINC000188790405 442814472 /nfs/dbraw/zinc/81/44/72/442814472.db2.gz MJXCUPDEHIWTSF-ONGXEEELSA-N -1 1 334.781 1.830 20 5 EDBDMM O=C(Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)NCc1cccc(F)c1 ZINC000350997356 319085778 /nfs/dbraw/zinc/08/57/78/319085778.db2.gz SFDDEWFEFPAMEV-UHFFFAOYSA-N -1 1 345.290 1.971 20 5 EDBDMM COC(=O)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000276553465 443744506 /nfs/dbraw/zinc/74/45/06/443744506.db2.gz KSABORYUPPFZQV-UHFFFAOYSA-N -1 1 337.332 1.549 20 5 EDBDMM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278138758 444103447 /nfs/dbraw/zinc/10/34/47/444103447.db2.gz NWPDPUCRJQFPHC-IINYFYTJSA-N -1 1 339.373 1.480 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@@H]1CCCC[C@H]1O ZINC000611026987 450413366 /nfs/dbraw/zinc/41/33/66/450413366.db2.gz MSMDEEDCSDCMQL-NWDGAFQWSA-N -1 1 343.405 1.599 20 5 EDBDMM CCOC(=O)c1cc(C(=O)Nc2ccncc2[O-])cc([N+](=O)[O-])c1 ZINC000336906581 444845486 /nfs/dbraw/zinc/84/54/86/444845486.db2.gz YBEWCCLVZVXCOP-UHFFFAOYSA-N -1 1 331.284 1.546 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000339043516 445005168 /nfs/dbraw/zinc/00/51/68/445005168.db2.gz LUOOLZGPASGBSM-NSHDSACASA-N -1 1 346.409 1.031 20 5 EDBDMM COc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000339198971 445084929 /nfs/dbraw/zinc/08/49/29/445084929.db2.gz IXLDWPWYEBCXHU-SNVBAGLBSA-N -1 1 348.315 1.712 20 5 EDBDMM COC(=O)[C@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000351741043 445302763 /nfs/dbraw/zinc/30/27/63/445302763.db2.gz QJIXZZCODNINJO-LBPRGKRZSA-N -1 1 345.311 1.210 20 5 EDBDMM CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000359200143 446028438 /nfs/dbraw/zinc/02/84/38/446028438.db2.gz LLULGGGVCQSEKQ-UHFFFAOYSA-N -1 1 342.308 1.222 20 5 EDBDMM Cc1nc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2n1CCCC2 ZINC000373195048 446090981 /nfs/dbraw/zinc/09/09/81/446090981.db2.gz FUMRSAVMAKUZNY-UHFFFAOYSA-N -1 1 331.332 1.467 20 5 EDBDMM Cn1nccc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000375008320 446509156 /nfs/dbraw/zinc/50/91/56/446509156.db2.gz MDHAACWBWPEANK-JTQLQIEISA-N -1 1 331.332 1.449 20 5 EDBDMM CC[C@@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443279049 447024998 /nfs/dbraw/zinc/02/49/98/447024998.db2.gz FHGIQDOQQMDDLP-LDYMZIIASA-N -1 1 336.797 1.934 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000531603163 448114520 /nfs/dbraw/zinc/11/45/20/448114520.db2.gz FMBMZPLCCZYVTN-AXFHLTTASA-N -1 1 327.362 1.226 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000491842922 448137266 /nfs/dbraw/zinc/13/72/66/448137266.db2.gz HBIYOGJZVZWOQE-YVMONPNESA-N -1 1 328.332 1.707 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000541392028 448673807 /nfs/dbraw/zinc/67/38/07/448673807.db2.gz DVGXMUNMHZSYAT-AAEUAGOBSA-N -1 1 327.362 1.226 20 5 EDBDMM CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593578455 449085972 /nfs/dbraw/zinc/08/59/72/449085972.db2.gz SXGISRNYZCCJMD-ZETCQYMHSA-N -1 1 327.284 1.999 20 5 EDBDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2cnc[nH]2)c1 ZINC000589593802 449037053 /nfs/dbraw/zinc/03/70/53/449037053.db2.gz LGMSHGGPGBSGBW-UHFFFAOYSA-N -1 1 347.150 1.881 20 5 EDBDMM Cc1cc(=O)n2[n-]c(NC(=O)Cc3cccc([N+](=O)[O-])c3C)nc2n1 ZINC000589828647 449065158 /nfs/dbraw/zinc/06/51/58/449065158.db2.gz ZBPJWPJQFYOLQJ-UHFFFAOYSA-N -1 1 342.315 1.124 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593746171 449176371 /nfs/dbraw/zinc/17/63/71/449176371.db2.gz FZEWPPGZEWBCFK-AWEZNQCLSA-N -1 1 342.373 1.308 20 5 EDBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000604432244 449229855 /nfs/dbraw/zinc/22/98/55/449229855.db2.gz OGHGXHLNODKMBQ-VIFPVBQESA-N -1 1 333.797 1.621 20 5 EDBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600703316 449503664 /nfs/dbraw/zinc/50/36/64/449503664.db2.gz QGVPTTXATRPNTD-UTUOFQBUSA-N -1 1 335.360 1.964 20 5 EDBDMM O=C(NC[C@@H]1Cc2ccccc2CO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600832572 449569921 /nfs/dbraw/zinc/56/99/21/449569921.db2.gz YDPKJAKNIWMXTO-ZDUSSCGKSA-N -1 1 329.312 1.567 20 5 EDBDMM CC(C)(C)N1C[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1=O ZINC000598775757 449596038 /nfs/dbraw/zinc/59/60/38/449596038.db2.gz XDOMWYQJUNTVMK-VIFPVBQESA-N -1 1 336.348 1.072 20 5 EDBDMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000612397490 449677242 /nfs/dbraw/zinc/67/72/42/449677242.db2.gz VIVAZMFQINTFHD-SNVBAGLBSA-N -1 1 337.238 1.837 20 5 EDBDMM Cc1cc(S(=O)(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000601307766 449818136 /nfs/dbraw/zinc/81/81/36/449818136.db2.gz HBQLXZWTYAPRCE-MNOVXSKESA-N -1 1 345.446 1.870 20 5 EDBDMM CCOC(=O)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](C)CC ZINC000610269429 450176173 /nfs/dbraw/zinc/17/61/73/450176173.db2.gz OUDWOMGJDAUQBL-MWLCHTKSSA-N -1 1 345.377 1.246 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000610266034 450176584 /nfs/dbraw/zinc/17/65/84/450176584.db2.gz IHWGIFDGZXWIEU-WCQGTBRESA-N -1 1 341.389 1.472 20 5 EDBDMM COC(=O)c1ccc2c(c1)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000618374639 450183383 /nfs/dbraw/zinc/18/33/83/450183383.db2.gz SBUCHQXWECOZPN-UHFFFAOYSA-N -1 1 343.295 1.638 20 5 EDBDMM C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618390292 450190335 /nfs/dbraw/zinc/19/03/35/450190335.db2.gz QQEAEJJRYBKAKC-GXFFZTMASA-N -1 1 331.328 1.590 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000164616993 534715159 /nfs/dbraw/zinc/71/51/59/534715159.db2.gz ZAXGYQNLVYRDEY-ZDUSSCGKSA-N -1 1 349.387 1.485 20 5 EDBDMM O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740631593 579371658 /nfs/dbraw/zinc/37/16/58/579371658.db2.gz XXHKIBOFRRHWRW-KCJUWKMLSA-N -1 1 347.331 1.637 20 5 EDBDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000742272191 579446314 /nfs/dbraw/zinc/44/63/14/579446314.db2.gz SVLJMICKNFUKOF-UHFFFAOYSA-N -1 1 336.373 1.534 20 5 EDBDMM CC(C)Oc1ccc([N+](=O)[O-])cc1Cn1cnc(-c2nn[n-]n2)n1 ZINC000735912576 578939860 /nfs/dbraw/zinc/93/98/60/578939860.db2.gz FGEUQIGYDWFPHA-UHFFFAOYSA-N -1 1 330.308 1.202 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000737830940 578993528 /nfs/dbraw/zinc/99/35/28/578993528.db2.gz ABQYIZQYILPALN-QMMMGPOBSA-N -1 1 325.325 1.143 20 5 EDBDMM C[C@H]1CN2CCCC[C@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736821779 579024095 /nfs/dbraw/zinc/02/40/95/579024095.db2.gz MSAWLXOKUPSHIM-FZMZJTMJSA-N -1 1 347.371 1.992 20 5 EDBDMM NC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000754845448 579914131 /nfs/dbraw/zinc/91/41/31/579914131.db2.gz JXMOFCGWTQQVLY-AWEZNQCLSA-N -1 1 330.296 1.554 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2csc([N+](=O)[O-])c2)co1 ZINC000756392256 579949193 /nfs/dbraw/zinc/94/91/93/579949193.db2.gz XWRLFXUEMIADDC-UHFFFAOYSA-N -1 1 346.342 1.514 20 5 EDBDMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc([N+](=O)[O-])c2ncccc12 ZINC000770286730 580257336 /nfs/dbraw/zinc/25/73/36/580257336.db2.gz LUOBPVHUBRYVGI-UHFFFAOYSA-N -1 1 334.313 1.942 20 5 EDBDMM COc1cccc([C@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000776345724 580415272 /nfs/dbraw/zinc/41/52/72/580415272.db2.gz LLCLLGLKQWPCJM-CYBMUJFWSA-N -1 1 333.300 1.167 20 5 EDBDMM COC(=O)c1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)[n-]1 ZINC000796346539 580951635 /nfs/dbraw/zinc/95/16/35/580951635.db2.gz UZMQUBGXCABOGR-UHFFFAOYSA-N -1 1 332.268 1.749 20 5 EDBDMM CCn1c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc2ccccc21 ZINC000798321925 580993809 /nfs/dbraw/zinc/99/38/09/580993809.db2.gz HZEHIIYTBLIHPE-UHFFFAOYSA-N -1 1 341.327 1.995 20 5 EDBDMM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000910361828 592844377 /nfs/dbraw/zinc/84/43/77/592844377.db2.gz AKSGCUAOUHGGSM-JOEXVHRGSA-N -1 1 348.403 1.739 20 5 EDBDMM O=C(CSCCSCCO)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840207292 593426101 /nfs/dbraw/zinc/42/61/01/593426101.db2.gz UYECVJAOLMIMGH-UHFFFAOYSA-N -1 1 344.414 1.310 20 5 EDBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccncc1 ZINC000820280770 593805905 /nfs/dbraw/zinc/80/59/05/593805905.db2.gz OEXGVTFGAMEABW-VIFPVBQESA-N -1 1 326.320 1.781 20 5 EDBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccncc1 ZINC000820280770 593805906 /nfs/dbraw/zinc/80/59/06/593805906.db2.gz OEXGVTFGAMEABW-VIFPVBQESA-N -1 1 326.320 1.781 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822927865 594123150 /nfs/dbraw/zinc/12/31/50/594123150.db2.gz BPDLKJBAGVDYOT-ZZXKWVIFSA-N -1 1 343.328 1.883 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822927865 594123153 /nfs/dbraw/zinc/12/31/53/594123153.db2.gz BPDLKJBAGVDYOT-ZZXKWVIFSA-N -1 1 343.328 1.883 20 5 EDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1cc(F)cc([N+](=O)[O-])c1 ZINC000823294910 594181455 /nfs/dbraw/zinc/18/14/55/594181455.db2.gz XIVILJRDYWLYQI-UHFFFAOYSA-N -1 1 344.262 1.872 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](n2ccnc2)C1 ZINC000823620834 594222187 /nfs/dbraw/zinc/22/21/87/594222187.db2.gz QSSRJRLEQYISKK-SNVBAGLBSA-N -1 1 341.335 1.208 20 5 EDBDMM CC(C)(CCC(=O)N1CC[C@](C)([N-]C(=O)C(F)(F)F)C1)[N+](=O)[O-] ZINC000830795771 594479324 /nfs/dbraw/zinc/47/93/24/594479324.db2.gz OYONDDBPYXOCQH-LBPRGKRZSA-N -1 1 339.314 1.491 20 5 EDBDMM O=c1c(-c2nn[n-]n2)cccn1CCOc1ccc([N+](=O)[O-])cc1 ZINC000826501388 594504160 /nfs/dbraw/zinc/50/41/60/594504160.db2.gz NXDRERFCGQKBNA-UHFFFAOYSA-N -1 1 328.288 1.016 20 5 EDBDMM CO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000841548444 594920701 /nfs/dbraw/zinc/92/07/01/594920701.db2.gz IWXFQXGSFCVILK-NWDGAFQWSA-N -1 1 344.364 1.970 20 5 EDBDMM CC(C)(C)c1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])s1 ZINC000842324403 595077141 /nfs/dbraw/zinc/07/71/41/595077141.db2.gz ADYZPEHQIXSZGD-HTQZYQBOSA-N -1 1 332.403 1.516 20 5 EDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c2ncnn21 ZINC000849423774 595524558 /nfs/dbraw/zinc/52/45/58/595524558.db2.gz NAPYDTZICYFMGQ-HTRCEHHLSA-N -1 1 329.363 1.232 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC1(CCO)CCC1 ZINC000127346900 597715168 /nfs/dbraw/zinc/71/51/68/597715168.db2.gz OXAWDWWBJKLFHQ-UHFFFAOYSA-N -1 1 332.353 1.565 20 5 EDBDMM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000293746575 295722790 /nfs/dbraw/zinc/72/27/90/295722790.db2.gz WISUCQPUFDYRTF-MRVPVSSYSA-N -1 1 348.281 1.452 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000562545175 306302066 /nfs/dbraw/zinc/30/20/66/306302066.db2.gz RLMXEKIANVHNNX-JTQLQIEISA-N -1 1 349.265 1.471 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000245976310 139091615 /nfs/dbraw/zinc/09/16/15/139091615.db2.gz BXVOFVZTKRQRBL-MVWJERBFSA-N -1 1 344.364 1.970 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O ZINC000270153644 140052417 /nfs/dbraw/zinc/05/24/17/140052417.db2.gz DHEKBYKPXVSBQG-KWQFWETISA-N -1 1 334.781 1.688 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)c2ccsc2)s1 ZINC000351575025 143582313 /nfs/dbraw/zinc/58/23/13/143582313.db2.gz DZRAAIINHIBYBD-MRVPVSSYSA-N -1 1 334.400 1.730 20 5 EDBDMM CC[C@@H](C)[C@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000355225646 150172652 /nfs/dbraw/zinc/17/26/52/150172652.db2.gz FSEJQOAVEIOYBZ-MFKMUULPSA-N -1 1 344.389 1.602 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000364433594 153236098 /nfs/dbraw/zinc/23/60/98/153236098.db2.gz ZZORETZSJIPJGX-GFCCVEGCSA-N -1 1 330.300 1.384 20 5 EDBDMM COc1cc(/C=C\c2cc(=O)n3[n-]cnc3n2)c([N+](=O)[O-])cc1OC ZINC000352039894 161930842 /nfs/dbraw/zinc/93/08/42/161930842.db2.gz KSWZOBDXOLUDLT-ARJAWSKDSA-N -1 1 343.299 1.513 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)co1 ZINC000352177568 162032161 /nfs/dbraw/zinc/03/21/61/162032161.db2.gz DAFMHEXADZPAFZ-UHFFFAOYSA-N -1 1 343.292 1.487 20 5 EDBDMM C[C@H](CN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000274733220 268193290 /nfs/dbraw/zinc/19/32/90/268193290.db2.gz DBRBYOZIYZXSIA-SNVBAGLBSA-N -1 1 332.364 1.648 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@H]21 ZINC000274922813 268239361 /nfs/dbraw/zinc/23/93/61/268239361.db2.gz NGSZVNAANNFLIR-MWLCHTKSSA-N -1 1 325.346 1.042 20 5 EDBDMM CCCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000277796647 268581396 /nfs/dbraw/zinc/58/13/96/268581396.db2.gz VWGKOGIZFXIOSB-UHFFFAOYSA-N -1 1 332.316 1.809 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc([C@@H]3CN4CCC[C@H]4CO3)no2)cc1[O-] ZINC000277765370 273224986 /nfs/dbraw/zinc/22/49/86/273224986.db2.gz DHSBJTKTJOWLOR-GWCFXTLKSA-N -1 1 332.316 1.886 20 5 EDBDMM CO[C@@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000284585810 274253873 /nfs/dbraw/zinc/25/38/73/274253873.db2.gz LPJTVICFBCIBOK-PWSUYJOCSA-N -1 1 347.331 1.329 20 5 EDBDMM CN(CCCC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000430679782 305062265 /nfs/dbraw/zinc/06/22/65/305062265.db2.gz QSFURTFFJIIFHI-UHFFFAOYSA-N -1 1 329.740 1.983 20 5 EDBDMM CC[C@@H](C)[C@@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])OC ZINC000451677688 305361721 /nfs/dbraw/zinc/36/17/21/305361721.db2.gz HALDGMDODMYCIP-NXEZZACHSA-N -1 1 334.398 1.151 20 5 EDBDMM COC(=O)CC1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000530531945 305942226 /nfs/dbraw/zinc/94/22/26/305942226.db2.gz IJVQALVYWDMUER-UHFFFAOYSA-N -1 1 343.361 1.144 20 5 EDBDMM CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000031309101 441520870 /nfs/dbraw/zinc/52/08/70/441520870.db2.gz CWEQTFZYOYTDKW-SECBINFHSA-N -1 1 344.327 1.733 20 5 EDBDMM O=C(NCc1ccc(N2CCCC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031315374 441521184 /nfs/dbraw/zinc/52/11/84/441521184.db2.gz LDVONJDITJJGFI-UHFFFAOYSA-N -1 1 343.343 1.621 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000151035281 441994678 /nfs/dbraw/zinc/99/46/78/441994678.db2.gz PBBQRFVCBPOIDH-JTQLQIEISA-N -1 1 349.265 1.471 20 5 EDBDMM CCc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000129279258 442309798 /nfs/dbraw/zinc/30/97/98/442309798.db2.gz WMVTVLYGGNOOCG-LBPRGKRZSA-N -1 1 330.348 1.690 20 5 EDBDMM C[C@@H](CN(C)C(=O)CSc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000183424687 442929840 /nfs/dbraw/zinc/92/98/40/442929840.db2.gz XAZGSJFSLAOJIR-VIFPVBQESA-N -1 1 336.377 1.462 20 5 EDBDMM C[C@@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195477655 443023198 /nfs/dbraw/zinc/02/31/98/443023198.db2.gz PECOCLIHPWXNPF-GMSGAONNSA-N -1 1 347.780 1.051 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1ccccc1 ZINC000413951884 319306286 /nfs/dbraw/zinc/30/62/86/319306286.db2.gz YGZLYHTVJQOLLH-OLZOCXBDSA-N -1 1 329.312 1.644 20 5 EDBDMM CCc1nc([C@H]2CN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000272458561 443325473 /nfs/dbraw/zinc/32/54/73/443325473.db2.gz CAGJLQWNBJRLGH-GFCCVEGCSA-N -1 1 347.331 1.195 20 5 EDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000267673323 443536436 /nfs/dbraw/zinc/53/64/36/443536436.db2.gz CSOCCTZBFRMVHT-SNVBAGLBSA-N -1 1 348.764 1.478 20 5 EDBDMM CC(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000538970482 320749689 /nfs/dbraw/zinc/74/96/89/320749689.db2.gz ZVGKHRSFEJXSRV-WDEREUQCSA-N -1 1 329.378 1.472 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1ccc(O)cc1 ZINC000611021873 450410167 /nfs/dbraw/zinc/41/01/67/450410167.db2.gz IXMDDPMQEPXLQO-UHFFFAOYSA-N -1 1 337.357 1.607 20 5 EDBDMM O=C([O-])Cc1ccc(NCCN2C[C@H]3CC[C@@H](C2)O3)c([N+](=O)[O-])c1 ZINC000567977919 321270521 /nfs/dbraw/zinc/27/05/21/321270521.db2.gz QHEUHGQPWSKEAT-BETUJISGSA-N -1 1 335.360 1.497 20 5 EDBDMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000340597051 444455986 /nfs/dbraw/zinc/45/59/86/444455986.db2.gz SJPGPFLJOBXADO-QMMMGPOBSA-N -1 1 336.391 1.666 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000337951091 444469366 /nfs/dbraw/zinc/46/93/66/444469366.db2.gz HRVWTTQXVTUYLG-UHFFFAOYSA-N -1 1 330.300 1.372 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(F)c(F)c2)c([N+](=O)[O-])n1 ZINC000339039655 445002013 /nfs/dbraw/zinc/00/20/13/445002013.db2.gz FAPREBSEQDNDIX-UHFFFAOYSA-N -1 1 346.315 1.568 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCCO2)c([N+](=O)[O-])n1 ZINC000339046520 445006651 /nfs/dbraw/zinc/00/66/51/445006651.db2.gz WTUMBBIZENOMGI-NXEZZACHSA-N -1 1 332.382 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCOCCC(C)C)c([N+](=O)[O-])n1 ZINC000339049271 445009245 /nfs/dbraw/zinc/00/92/45/445009245.db2.gz KSDPFMOMDROZBO-UHFFFAOYSA-N -1 1 334.398 1.152 20 5 EDBDMM CO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000357262173 445513890 /nfs/dbraw/zinc/51/38/90/445513890.db2.gz HGYPQFYRSPMYRW-ZETCQYMHSA-N -1 1 337.292 1.058 20 5 EDBDMM COC(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000361867850 446021385 /nfs/dbraw/zinc/02/13/85/446021385.db2.gz JUDUNQGNRJPGQP-GFCCVEGCSA-N -1 1 345.311 1.730 20 5 EDBDMM C[C@H]1C[C@@H]1[N@H+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000583324593 326050912 /nfs/dbraw/zinc/05/09/12/326050912.db2.gz AUHOANCECZIHQO-GVXVVHGQSA-N -1 1 334.376 1.855 20 5 EDBDMM O=C(NCCc1cn2c(n1)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373567778 446263875 /nfs/dbraw/zinc/26/38/75/446263875.db2.gz NUXLJPHLUYGOPO-UHFFFAOYSA-N -1 1 331.332 1.201 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(OC)c2)c([N+](=O)[O-])n1 ZINC000435798928 446712540 /nfs/dbraw/zinc/71/25/40/446712540.db2.gz KFTLWYLAHCVCSE-UHFFFAOYSA-N -1 1 340.361 1.298 20 5 EDBDMM O=C(Nc1ccn(-c2ccncc2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436781484 446737132 /nfs/dbraw/zinc/73/71/32/446737132.db2.gz DAYLKDVOGGOEEC-UHFFFAOYSA-N -1 1 325.284 2.133 20 5 EDBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000525701991 448013520 /nfs/dbraw/zinc/01/35/20/448013520.db2.gz HVLLVLJSMUINJC-RYUDHWBXSA-N -1 1 341.389 1.616 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCOc2ccccc21 ZINC000525688212 448012256 /nfs/dbraw/zinc/01/22/56/448012256.db2.gz PYUHDXDNKVOXHF-LLVKDONJSA-N -1 1 349.368 1.834 20 5 EDBDMM CCC[C@H](NC(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000492111983 448182403 /nfs/dbraw/zinc/18/24/03/448182403.db2.gz MIEDHMOZHFJVKO-XOIDGJRKSA-N -1 1 334.311 1.918 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000532096029 448200006 /nfs/dbraw/zinc/20/00/06/448200006.db2.gz JSHWCNDQHYNUJO-MRVPVSSYSA-N -1 1 326.334 1.634 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)c1cccc(F)c1 ZINC000533093200 448355448 /nfs/dbraw/zinc/35/54/48/448355448.db2.gz AXVJHZWGXMSJNI-LLVKDONJSA-N -1 1 341.320 1.141 20 5 EDBDMM CCC[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OCC ZINC000574894892 448983437 /nfs/dbraw/zinc/98/34/37/448983437.db2.gz MAKYOUKMHLNIQU-SNVBAGLBSA-N -1 1 345.377 1.248 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)CCF ZINC000593657322 449133844 /nfs/dbraw/zinc/13/38/44/449133844.db2.gz QNRDTNLZBCRCAH-QMMMGPOBSA-N -1 1 326.733 1.247 20 5 EDBDMM O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590428383 449156788 /nfs/dbraw/zinc/15/67/88/449156788.db2.gz NQOFLOVHHAIXCP-CPCISQLKSA-N -1 1 335.238 1.271 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2Cc3ccccc32)c([N+](=O)[O-])n1 ZINC000611105343 449169075 /nfs/dbraw/zinc/16/90/75/449169075.db2.gz ZKAUCOFTHXQFQP-NSHDSACASA-N -1 1 336.373 1.429 20 5 EDBDMM C[C@H]1COCCN1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000590388280 449143624 /nfs/dbraw/zinc/14/36/24/449143624.db2.gz LCXMUWRNZPSKAM-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM O=C(NC[C@@H](n1cccn1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600178831 449230576 /nfs/dbraw/zinc/23/05/76/449230576.db2.gz QITAUCIZIXVYRZ-SECBINFHSA-N -1 1 345.237 1.425 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)o1 ZINC000598609129 449490318 /nfs/dbraw/zinc/49/03/18/449490318.db2.gz QUEMAWUYIHYFCN-VIFPVBQESA-N -1 1 340.361 1.943 20 5 EDBDMM O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614262741 449532648 /nfs/dbraw/zinc/53/26/48/449532648.db2.gz ODUNZYSBRPDAMG-CYBMUJFWSA-N -1 1 340.299 1.333 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594486143 449550753 /nfs/dbraw/zinc/55/07/53/449550753.db2.gz DJLJFDLABGCLII-GHMZBOCLSA-N -1 1 346.409 1.437 20 5 EDBDMM C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1C(=O)[O-] ZINC000600697891 449499828 /nfs/dbraw/zinc/49/98/28/449499828.db2.gz BNPRCLYMZIMACE-DFBGVHRSSA-N -1 1 347.371 1.743 20 5 EDBDMM Cn1ncc(C2CC2)c1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594851732 449760619 /nfs/dbraw/zinc/76/06/19/449760619.db2.gz LDEUNLDSAIVCQA-UHFFFAOYSA-N -1 1 337.361 1.079 20 5 EDBDMM CCOC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)o1 ZINC000610638935 450279991 /nfs/dbraw/zinc/27/99/91/450279991.db2.gz PVQUNIZNKWMCIG-UHFFFAOYSA-N -1 1 335.272 1.395 20 5 EDBDMM C[C@H](CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[n-]n1 ZINC000183405695 534015451 /nfs/dbraw/zinc/01/54/51/534015451.db2.gz QTKFPLDNEYUQEW-MRVPVSSYSA-N -1 1 329.320 1.465 20 5 EDBDMM CC1(C)[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000153336118 527829918 /nfs/dbraw/zinc/82/99/18/527829918.db2.gz QDSYYFLUKWIUDU-JCOFBHIZSA-N -1 1 344.364 1.826 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339447828 535929541 /nfs/dbraw/zinc/92/95/41/535929541.db2.gz KWIFGZPMHYMJTR-UWVGGRQHSA-N -1 1 332.382 1.047 20 5 EDBDMM O=C([O-])N1CCC[C@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000740512513 579355246 /nfs/dbraw/zinc/35/52/46/579355246.db2.gz PDIXUICKAWAHKO-CYBMUJFWSA-N -1 1 349.391 1.502 20 5 EDBDMM C[C@@H](CN1CCN(C)CC1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736586115 579003222 /nfs/dbraw/zinc/00/32/22/579003222.db2.gz MBYXNROZPYHSGO-AGLBCWCQSA-N -1 1 348.403 1.740 20 5 EDBDMM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1sccc1-c1nn[n-]n1 ZINC000737498699 579098834 /nfs/dbraw/zinc/09/88/34/579098834.db2.gz KQEHSCJRTPSXGV-UHFFFAOYSA-N -1 1 349.332 1.198 20 5 EDBDMM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738237224 579175951 /nfs/dbraw/zinc/17/59/51/579175951.db2.gz ZINHPLHROLWRID-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=C(OCc1cc(F)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738237224 579175953 /nfs/dbraw/zinc/17/59/53/579175953.db2.gz ZINHPLHROLWRID-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])o1 ZINC000751446851 579807593 /nfs/dbraw/zinc/80/75/93/579807593.db2.gz NAZDIFJMALQMQP-JTQLQIEISA-N -1 1 344.320 1.647 20 5 EDBDMM CC1(O)CCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000751479289 579809465 /nfs/dbraw/zinc/80/94/65/579809465.db2.gz MYUCROAGZBKQMI-UHFFFAOYSA-N -1 1 332.353 1.706 20 5 EDBDMM CC1(C)OCC([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CO1 ZINC000758630839 579988156 /nfs/dbraw/zinc/98/81/56/579988156.db2.gz KSDYCYIEJJSXGK-UHFFFAOYSA-N -1 1 334.325 1.164 20 5 EDBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ncccn1 ZINC000769050497 580226512 /nfs/dbraw/zinc/22/65/12/580226512.db2.gz XIJOUVSNJIBLAJ-QMMMGPOBSA-N -1 1 332.272 1.274 20 5 EDBDMM Cc1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000773165477 580329285 /nfs/dbraw/zinc/32/92/85/580329285.db2.gz YZOFGNQJQHTHCX-LLVKDONJSA-N -1 1 334.361 1.347 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COC[C@H]2C2CC2)cc1F ZINC000908408020 592483937 /nfs/dbraw/zinc/48/39/37/592483937.db2.gz OIIOAQIONHRBKN-JQWIXIFHSA-N -1 1 344.364 1.746 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1COC[C@H]1C1CC1 ZINC000908417353 592488511 /nfs/dbraw/zinc/48/85/11/592488511.db2.gz XNDBIEVAXUMQEA-WDEREUQCSA-N -1 1 346.792 1.952 20 5 EDBDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736120001 592990259 /nfs/dbraw/zinc/99/02/59/592990259.db2.gz UMUUHLFLBGOJLM-VIFPVBQESA-N -1 1 339.315 1.661 20 5 EDBDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736120001 592990260 /nfs/dbraw/zinc/99/02/60/592990260.db2.gz UMUUHLFLBGOJLM-VIFPVBQESA-N -1 1 339.315 1.661 20 5 EDBDMM COC(=O)Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000816512694 593528727 /nfs/dbraw/zinc/52/87/27/593528727.db2.gz QYYURFSFESVBLL-UHFFFAOYSA-N -1 1 345.311 1.341 20 5 EDBDMM COC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814975009 593608264 /nfs/dbraw/zinc/60/82/64/593608264.db2.gz OBORQKCNRJBCPP-LURJTMIESA-N -1 1 326.733 1.701 20 5 EDBDMM Cc1cccc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822288875 594024737 /nfs/dbraw/zinc/02/47/37/594024737.db2.gz LRYVYUQJLYEXHI-GFCCVEGCSA-N -1 1 341.331 1.624 20 5 EDBDMM Cc1cccc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822288875 594024739 /nfs/dbraw/zinc/02/47/39/594024739.db2.gz LRYVYUQJLYEXHI-GFCCVEGCSA-N -1 1 341.331 1.624 20 5 EDBDMM CC1(C)C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C(C)(C)O1 ZINC000824795755 594076234 /nfs/dbraw/zinc/07/62/34/594076234.db2.gz CLLWXXAFGSAWSL-VIFPVBQESA-N -1 1 333.352 1.928 20 5 EDBDMM CC1(C)C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C(C)(C)O1 ZINC000824795755 594076235 /nfs/dbraw/zinc/07/62/35/594076235.db2.gz CLLWXXAFGSAWSL-VIFPVBQESA-N -1 1 333.352 1.928 20 5 EDBDMM CCC1(O)CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825176425 594142343 /nfs/dbraw/zinc/14/23/43/594142343.db2.gz SQGVMXOKORBNSN-UHFFFAOYSA-N -1 1 333.352 1.666 20 5 EDBDMM CCC1(O)CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825176425 594142346 /nfs/dbraw/zinc/14/23/46/594142346.db2.gz SQGVMXOKORBNSN-UHFFFAOYSA-N -1 1 333.352 1.666 20 5 EDBDMM CN(CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000825892562 594270668 /nfs/dbraw/zinc/27/06/68/594270668.db2.gz OZNGCJQOTXTFTL-UHFFFAOYSA-N -1 1 333.352 1.126 20 5 EDBDMM CN(CC(=O)NC(C)(C)C)c1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000825892562 594270669 /nfs/dbraw/zinc/27/06/69/594270669.db2.gz OZNGCJQOTXTFTL-UHFFFAOYSA-N -1 1 333.352 1.126 20 5 EDBDMM Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000829833118 594273133 /nfs/dbraw/zinc/27/31/33/594273133.db2.gz GLOMULRMNHTNPP-IONNQARKSA-N -1 1 325.325 1.135 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000828028902 594326087 /nfs/dbraw/zinc/32/60/87/594326087.db2.gz HPSBBNFTWHXJKM-OAHLLOKOSA-N -1 1 331.332 1.607 20 5 EDBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000826424766 594470863 /nfs/dbraw/zinc/47/08/63/594470863.db2.gz BRORZBMSBWGPHR-UHFFFAOYSA-N -1 1 348.710 1.264 20 5 EDBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000826424766 594470865 /nfs/dbraw/zinc/47/08/65/594470865.db2.gz BRORZBMSBWGPHR-UHFFFAOYSA-N -1 1 348.710 1.264 20 5 EDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827355593 594664169 /nfs/dbraw/zinc/66/41/69/594664169.db2.gz KQMZKOTWQMLDIB-WXJAXGNASA-N -1 1 347.371 1.615 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000832310300 594741954 /nfs/dbraw/zinc/74/19/54/594741954.db2.gz QUYDOGNBXDHSHW-RCOVLWMOSA-N -1 1 340.760 1.825 20 5 EDBDMM CCn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000841554809 594921672 /nfs/dbraw/zinc/92/16/72/594921672.db2.gz TWZZJKCYVIQUFF-UHFFFAOYSA-N -1 1 344.780 1.943 20 5 EDBDMM O=C([O-])NC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000834216429 595057877 /nfs/dbraw/zinc/05/78/77/595057877.db2.gz RMXGSMCOUHYTQO-ZANVPECISA-N -1 1 337.332 1.857 20 5 EDBDMM C[C@@H]1CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1CCO ZINC000844210703 595302866 /nfs/dbraw/zinc/30/28/66/595302866.db2.gz ZGLSXACVWXNMAR-TXEJJXNPSA-N -1 1 337.376 1.113 20 5 EDBDMM Cn1cnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848587450 595410608 /nfs/dbraw/zinc/41/06/08/595410608.db2.gz VFTMWKZZXRWVOL-UHFFFAOYSA-N -1 1 327.247 1.011 20 5 EDBDMM COc1ccc(NC(=O)[C@H](C)N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738024253 600376838 /nfs/dbraw/zinc/37/68/38/600376838.db2.gz AVNIIAITMIMOAR-UWVGGRQHSA-N -1 1 339.348 1.583 20 5 EDBDMM COc1cccc(C2([N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])CC2)c1 ZINC000560473556 306270517 /nfs/dbraw/zinc/27/05/17/306270517.db2.gz HICMLSNDTNWBCI-UHFFFAOYSA-N -1 1 349.368 1.966 20 5 EDBDMM C[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[S@](C)=O ZINC000124192002 138324691 /nfs/dbraw/zinc/32/46/91/138324691.db2.gz SJWHKXRRLLYWEF-ULCDLSAGSA-N -1 1 326.421 1.092 20 5 EDBDMM O=C([O-])CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000340450597 304069741 /nfs/dbraw/zinc/06/97/41/304069741.db2.gz VETRMMMIMHFDHH-UHFFFAOYSA-N -1 1 329.117 1.265 20 5 EDBDMM O=C(N[C@H]1CCCC[C@@H]1n1cccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187160374 284170562 /nfs/dbraw/zinc/17/05/62/284170562.db2.gz NZTWZPFVVAABJT-RYUDHWBXSA-N -1 1 331.332 1.806 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000492240278 255164407 /nfs/dbraw/zinc/16/44/07/255164407.db2.gz UPYVOQACSLFMGK-VVEJJEBESA-N -1 1 328.332 1.527 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)o1 ZINC000416444480 304318806 /nfs/dbraw/zinc/31/88/06/304318806.db2.gz YKWUMOQLPNWPFT-UHFFFAOYSA-N -1 1 340.361 1.636 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCC(C)(C)COC)c([N+](=O)[O-])n1 ZINC000344921579 143027184 /nfs/dbraw/zinc/02/71/84/143027184.db2.gz QWZZOZAILGEXNB-UHFFFAOYSA-N -1 1 348.425 1.542 20 5 EDBDMM NC(=O)CCSc1ccccc1[N-]C(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000345424002 143089519 /nfs/dbraw/zinc/08/95/19/143089519.db2.gz FXKAPOAURRIJRA-UHFFFAOYSA-N -1 1 335.345 1.538 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000353003844 149248429 /nfs/dbraw/zinc/24/84/29/149248429.db2.gz KCXLJBRKVYLBDO-YFKPBYRVSA-N -1 1 334.404 1.856 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371616326 156030764 /nfs/dbraw/zinc/03/07/64/156030764.db2.gz MTLXRLDICQJLIT-WFASDCNBSA-N -1 1 349.387 1.531 20 5 EDBDMM CC(C)(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275020268 268265936 /nfs/dbraw/zinc/26/59/36/268265936.db2.gz ORCJQGQPRAFQPL-JTQLQIEISA-N -1 1 348.352 1.902 20 5 EDBDMM C[C@H]1OCC[C@@]12CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279180695 268795050 /nfs/dbraw/zinc/79/50/50/268795050.db2.gz BRDZFKQIDLTNTH-IQMDTDKHSA-N -1 1 337.332 1.104 20 5 EDBDMM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281268055 273455161 /nfs/dbraw/zinc/45/51/61/273455161.db2.gz WALWKQZSQQJIGW-SNVBAGLBSA-N -1 1 340.760 1.683 20 5 EDBDMM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000246611277 287746486 /nfs/dbraw/zinc/74/64/86/287746486.db2.gz LDEMSBXKYZCHDA-RPPIIRKBSA-N -1 1 341.389 1.505 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000287802507 288326967 /nfs/dbraw/zinc/32/69/67/288326967.db2.gz JUAFLCWHCIERCO-LBPRGKRZSA-N -1 1 349.265 1.615 20 5 EDBDMM CN(CC(F)(F)Br)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000288130086 288411335 /nfs/dbraw/zinc/41/13/35/288411335.db2.gz INFXJFCMBGFADF-UHFFFAOYSA-N -1 1 340.080 1.755 20 5 EDBDMM C[C@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290645792 288930213 /nfs/dbraw/zinc/93/02/13/288930213.db2.gz DQPGBBJEUQTTQW-LURJTMIESA-N -1 1 343.188 1.951 20 5 EDBDMM C[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290843166 288962326 /nfs/dbraw/zinc/96/23/26/288962326.db2.gz VTLAAQAVHJMYAL-ZCFIWIBFSA-N -1 1 326.733 1.437 20 5 EDBDMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000431764792 305082814 /nfs/dbraw/zinc/08/28/14/305082814.db2.gz IVQMGIJUDBTLKI-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000445186344 305257647 /nfs/dbraw/zinc/25/76/47/305257647.db2.gz LVYLDUPSDJGWMW-NSHDSACASA-N -1 1 348.359 1.170 20 5 EDBDMM CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000451748909 305366812 /nfs/dbraw/zinc/36/68/12/305366812.db2.gz OKFMBVSSEWZXOS-QWRGUYRKSA-N -1 1 330.410 1.916 20 5 EDBDMM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540425093 306039606 /nfs/dbraw/zinc/03/96/06/306039606.db2.gz LPRDFSPEQHHDTA-SECBINFHSA-N -1 1 341.331 1.609 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])s1 ZINC000542799992 306058725 /nfs/dbraw/zinc/05/87/25/306058725.db2.gz PLQVUMFXIIHGJJ-UHFFFAOYSA-N -1 1 342.402 1.850 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1COc2ccc(F)cc21 ZINC000545221430 306082671 /nfs/dbraw/zinc/08/26/71/306082671.db2.gz CPNWIIPTDKPRER-SNVBAGLBSA-N -1 1 339.304 1.541 20 5 EDBDMM COCC(C)(C)CCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000553885677 306187474 /nfs/dbraw/zinc/18/74/74/306187474.db2.gz FBROHVJGXJLIFA-UHFFFAOYSA-N -1 1 331.394 1.721 20 5 EDBDMM CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000024660916 441316223 /nfs/dbraw/zinc/31/62/23/441316223.db2.gz YLUPHOKAPDENMB-LLVKDONJSA-N -1 1 345.311 1.195 20 5 EDBDMM O=c1[nH]c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2o1 ZINC000041261780 441640669 /nfs/dbraw/zinc/64/06/69/441640669.db2.gz LQHGKYGPWBNDKB-UHFFFAOYSA-N -1 1 335.297 1.830 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1nncn1C ZINC000056069142 441685855 /nfs/dbraw/zinc/68/58/55/441685855.db2.gz HXCJGPKJRJQCLT-ZETCQYMHSA-N -1 1 345.768 1.416 20 5 EDBDMM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)no1 ZINC000173399144 441734223 /nfs/dbraw/zinc/73/42/23/441734223.db2.gz QICZLSXMWWODNX-UHFFFAOYSA-N -1 1 326.334 1.382 20 5 EDBDMM O=C(NC[C@@H](CCO)c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176808979 442260199 /nfs/dbraw/zinc/26/01/99/442260199.db2.gz UKAITXGTLZKCGL-GFCCVEGCSA-N -1 1 331.328 1.591 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)on1 ZINC000179189928 442594209 /nfs/dbraw/zinc/59/42/09/442594209.db2.gz BCRORGQERZYWHJ-UHFFFAOYSA-N -1 1 329.309 1.817 20 5 EDBDMM O=C(NCCCCNc1ccccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188420854 442748867 /nfs/dbraw/zinc/74/88/67/442748867.db2.gz LSMIDIGBJDFTBJ-UHFFFAOYSA-N -1 1 331.332 1.713 20 5 EDBDMM CCC[C@@H](NC(=O)c1cc(OC)c(C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000189065045 442869859 /nfs/dbraw/zinc/86/98/59/442869859.db2.gz CTDZTDUNZNNMQK-SNVBAGLBSA-N -1 1 334.336 1.696 20 5 EDBDMM CC1(C)COCCN1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000171760476 318435528 /nfs/dbraw/zinc/43/55/28/318435528.db2.gz GWPRLXVKWNVUOB-UHFFFAOYSA-N -1 1 349.434 1.045 20 5 EDBDMM Cc1nnc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)[nH]1 ZINC000268602762 443048729 /nfs/dbraw/zinc/04/87/29/443048729.db2.gz QKXPEZYMCZDLDR-VIFPVBQESA-N -1 1 332.320 1.142 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1cnn(C)c1 ZINC000266239556 443070258 /nfs/dbraw/zinc/07/02/58/443070258.db2.gz VWTJFWVARJLTPY-QMMMGPOBSA-N -1 1 328.325 1.507 20 5 EDBDMM O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])cc2F)no1 ZINC000350818766 319072221 /nfs/dbraw/zinc/07/22/21/319072221.db2.gz KWKURTNNXPFSDQ-UHFFFAOYSA-N -1 1 332.247 1.700 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000265164634 443555863 /nfs/dbraw/zinc/55/58/63/443555863.db2.gz GSCFUMNNZDGXFD-CYBMUJFWSA-N -1 1 344.327 1.522 20 5 EDBDMM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000314411684 444300423 /nfs/dbraw/zinc/30/04/23/444300423.db2.gz WEFYKPAIHTYUAN-UHFFFAOYSA-N -1 1 325.302 1.730 20 5 EDBDMM COc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000322281889 444339400 /nfs/dbraw/zinc/33/94/00/444339400.db2.gz OBZTYMLSNIMHPQ-UHFFFAOYSA-N -1 1 341.301 1.431 20 5 EDBDMM O=C(NCc1ccc2c(c1)OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000344356287 444915798 /nfs/dbraw/zinc/91/57/98/444915798.db2.gz SIUQVBPUAIBPMQ-UHFFFAOYSA-N -1 1 331.284 1.397 20 5 EDBDMM NC(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000344427322 444963551 /nfs/dbraw/zinc/96/35/51/444963551.db2.gz SKFWHGWGFZARSQ-UHFFFAOYSA-N -1 1 331.288 1.116 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(F)ccc2F)c([N+](=O)[O-])n1 ZINC000339043256 445005365 /nfs/dbraw/zinc/00/53/65/445005365.db2.gz WTCJGULTFGMWFQ-UHFFFAOYSA-N -1 1 346.315 1.568 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2sc(C)nc2C)c([N+](=O)[O-])n1 ZINC000339048280 445007801 /nfs/dbraw/zinc/00/78/01/445007801.db2.gz KPXBAQGDIKVBIB-UHFFFAOYSA-N -1 1 345.406 1.363 20 5 EDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339203136 445086394 /nfs/dbraw/zinc/08/63/94/445086394.db2.gz JOQLNROSADRCLD-SNVBAGLBSA-N -1 1 348.315 1.468 20 5 EDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1F)NC1(c2nn[n-]n2)CCCC1 ZINC000357222003 445490344 /nfs/dbraw/zinc/49/03/44/445490344.db2.gz PFBRTGHQRFUXBQ-UHFFFAOYSA-N -1 1 334.311 1.375 20 5 EDBDMM CCc1nc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)no1 ZINC000360262277 445664483 /nfs/dbraw/zinc/66/44/83/445664483.db2.gz QSMFIYBIVKZXOI-SECBINFHSA-N -1 1 347.331 1.661 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)F)c(Br)c1 ZINC000359005147 445883621 /nfs/dbraw/zinc/88/36/21/445883621.db2.gz AKMQOZDMVILHPP-UHFFFAOYSA-N -1 1 345.121 1.901 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nnnn3CC3CC3)n2)cc1 ZINC000351587998 446185375 /nfs/dbraw/zinc/18/53/75/446185375.db2.gz VOGPVHHVCVANMV-UHFFFAOYSA-N -1 1 342.319 1.653 20 5 EDBDMM CCOc1ncnc2c1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000365652034 446288319 /nfs/dbraw/zinc/28/83/19/446288319.db2.gz YKDRBCZCZDSGQE-UHFFFAOYSA-N -1 1 345.315 1.083 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000376983413 446838970 /nfs/dbraw/zinc/83/89/70/446838970.db2.gz TXXJQBOHWBTKRL-SECBINFHSA-N -1 1 332.320 1.136 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000376937904 446809217 /nfs/dbraw/zinc/80/92/17/446809217.db2.gz SOZOJBJWPUSJPY-AWEZNQCLSA-N -1 1 345.311 1.615 20 5 EDBDMM O=C(NCc1cccc(N2CCC2=O)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000443395524 447047831 /nfs/dbraw/zinc/04/78/31/447047831.db2.gz USSJQAKDDRPZAQ-UHFFFAOYSA-N -1 1 342.311 1.362 20 5 EDBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SCC(N)=O)n1 ZINC000427118455 447547236 /nfs/dbraw/zinc/54/72/36/447547236.db2.gz XQRRPZVKTMWYIE-UHFFFAOYSA-N -1 1 349.372 1.641 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000450967931 447638494 /nfs/dbraw/zinc/63/84/94/447638494.db2.gz XRFUNOFIJIHGMU-UHFFFAOYSA-N -1 1 342.237 1.546 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCO)Cc1cccc(F)c1 ZINC000427553602 447615562 /nfs/dbraw/zinc/61/55/62/447615562.db2.gz CETTVELGDQTBLW-UHFFFAOYSA-N -1 1 335.291 1.469 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC ZINC000452079707 447812671 /nfs/dbraw/zinc/81/26/71/447812671.db2.gz IAJNTBXMHNOPGT-MRVPVSSYSA-N -1 1 335.769 1.051 20 5 EDBDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc[nH]2)cc1[N+](=O)[O-] ZINC000496624751 447835797 /nfs/dbraw/zinc/83/57/97/447835797.db2.gz QXYWATHIAXALRC-UHFFFAOYSA-N -1 1 341.305 1.297 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000514947297 448231802 /nfs/dbraw/zinc/23/18/02/448231802.db2.gz WVAXPAFJCLVYGW-HNNXBMFYSA-N -1 1 332.316 1.941 20 5 EDBDMM O=C(Nc1cccc(N2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000515832923 448354120 /nfs/dbraw/zinc/35/41/20/448354120.db2.gz DSHJEORKTJNCEU-UHFFFAOYSA-N -1 1 329.272 1.231 20 5 EDBDMM O=C(Nc1cc2c([nH]c1=O)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593761810 449185633 /nfs/dbraw/zinc/18/56/33/449185633.db2.gz WDXHHBMZASOVMW-UHFFFAOYSA-N -1 1 330.300 1.927 20 5 EDBDMM C[C@@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000600697898 449499485 /nfs/dbraw/zinc/49/94/85/449499485.db2.gz BPSYLUAYWLJUBG-BXUZGUMPSA-N -1 1 335.360 1.600 20 5 EDBDMM C[C@@H]1CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@@H]1C(=O)[O-] ZINC000600697895 449499898 /nfs/dbraw/zinc/49/98/98/449499898.db2.gz BNPRCLYMZIMACE-UGFHNGPFSA-N -1 1 347.371 1.743 20 5 EDBDMM CO[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@](C)(C(=O)[O-])C1 ZINC000600872821 449579588 /nfs/dbraw/zinc/57/95/88/449579588.db2.gz KJPFWWQTRSQTGX-RFAUZJTJSA-N -1 1 348.315 1.175 20 5 EDBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000599519025 450038471 /nfs/dbraw/zinc/03/84/71/450038471.db2.gz WQHHZQLXPPDASZ-DTORHVGOSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000619868295 450346905 /nfs/dbraw/zinc/34/69/05/450346905.db2.gz NXSILBXQUVMPBV-LLVKDONJSA-N -1 1 332.316 1.632 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270784621 535807477 /nfs/dbraw/zinc/80/74/77/535807477.db2.gz DWAXAXIUVBRDFP-XCBNKYQSSA-N -1 1 342.295 1.575 20 5 EDBDMM C[C@@H](CN(Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1)C(=O)[O-] ZINC000736583419 579002971 /nfs/dbraw/zinc/00/29/71/579002971.db2.gz QSHMCAXOZIFAQA-NSHDSACASA-N -1 1 345.359 1.996 20 5 EDBDMM CNC(=O)[C@@H](Cc1ccccc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750813529 579782316 /nfs/dbraw/zinc/78/23/16/579782316.db2.gz NPKKQVBUEMDZBB-OAHLLOKOSA-N -1 1 344.323 1.815 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCn2ccnc2C1 ZINC000778094550 580456278 /nfs/dbraw/zinc/45/62/78/580456278.db2.gz OWDHUIBOMPPGGL-VIFPVBQESA-N -1 1 340.336 1.224 20 5 EDBDMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(N)c([N+](=O)[O-])c1 ZINC000774218390 580357046 /nfs/dbraw/zinc/35/70/46/580357046.db2.gz RPJUEXYSTSNEIG-VIFPVBQESA-N -1 1 347.331 1.594 20 5 EDBDMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000841536112 593239466 /nfs/dbraw/zinc/23/94/66/593239466.db2.gz YWDLAWCVMKXNPX-SNVBAGLBSA-N -1 1 348.764 1.478 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)NCCc3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000806489594 593451433 /nfs/dbraw/zinc/45/14/33/593451433.db2.gz XKMRPHMMWMTARJ-UHFFFAOYSA-N -1 1 340.343 1.614 20 5 EDBDMM C[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815041565 593611566 /nfs/dbraw/zinc/61/15/66/593611566.db2.gz IDPULFDLDPKUDW-ZETCQYMHSA-N -1 1 340.760 1.827 20 5 EDBDMM CC(C)C[C@H](CCO)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820055592 593786857 /nfs/dbraw/zinc/78/68/57/593786857.db2.gz IKZBVLGNBDVUSP-JTQLQIEISA-N -1 1 335.368 1.627 20 5 EDBDMM CC(C)C[C@H](CCO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820055592 593786858 /nfs/dbraw/zinc/78/68/58/593786858.db2.gz IKZBVLGNBDVUSP-JTQLQIEISA-N -1 1 335.368 1.627 20 5 EDBDMM CC(C)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000820081646 593789315 /nfs/dbraw/zinc/78/93/15/593789315.db2.gz PDKGPOGPBWGKQZ-UHFFFAOYSA-N -1 1 340.365 1.051 20 5 EDBDMM CN(Cc1cccc(F)c1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821613425 593881125 /nfs/dbraw/zinc/88/11/25/593881125.db2.gz NBZGZEPGJCWYDD-UHFFFAOYSA-N -1 1 329.295 1.945 20 5 EDBDMM CN(Cc1cccc(F)c1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821613425 593881128 /nfs/dbraw/zinc/88/11/28/593881128.db2.gz NBZGZEPGJCWYDD-UHFFFAOYSA-N -1 1 329.295 1.945 20 5 EDBDMM CCC(CC)(CCO)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820887701 593915437 /nfs/dbraw/zinc/91/54/37/593915437.db2.gz MRYGGPVHVWNKKP-UHFFFAOYSA-N -1 1 335.368 1.771 20 5 EDBDMM CCC(CC)(CCO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820887701 593915440 /nfs/dbraw/zinc/91/54/40/593915440.db2.gz MRYGGPVHVWNKKP-UHFFFAOYSA-N -1 1 335.368 1.771 20 5 EDBDMM Cc1cc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)ccc1[N+](=O)[O-] ZINC000822183865 594004649 /nfs/dbraw/zinc/00/46/49/594004649.db2.gz KKQFVRAGAJPPJN-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM Cc1cc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)ccc1[N+](=O)[O-] ZINC000822183865 594004650 /nfs/dbraw/zinc/00/46/50/594004650.db2.gz KKQFVRAGAJPPJN-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000824453457 594015489 /nfs/dbraw/zinc/01/54/89/594015489.db2.gz LFKLCLQZCHXZND-VIFPVBQESA-N -1 1 339.352 1.704 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1noc(C2CC2)n1 ZINC000826497908 594502508 /nfs/dbraw/zinc/50/25/08/594502508.db2.gz YHPWEPLUQWVHII-UHFFFAOYSA-N -1 1 329.280 1.042 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1noc(C2CC2)n1 ZINC000826497908 594502509 /nfs/dbraw/zinc/50/25/09/594502509.db2.gz YHPWEPLUQWVHII-UHFFFAOYSA-N -1 1 329.280 1.042 20 5 EDBDMM O=[N+]([O-])c1cccc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)c1 ZINC000826499757 594503714 /nfs/dbraw/zinc/50/37/14/594503714.db2.gz WCKXQJYDPFNORL-UHFFFAOYSA-N -1 1 339.275 1.070 20 5 EDBDMM O=[N+]([O-])c1cccc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)c1 ZINC000826499757 594503715 /nfs/dbraw/zinc/50/37/15/594503715.db2.gz WCKXQJYDPFNORL-UHFFFAOYSA-N -1 1 339.275 1.070 20 5 EDBDMM COc1ccc(OCCN2CCC(NC(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000829501268 594627090 /nfs/dbraw/zinc/62/70/90/594627090.db2.gz YCHCIXSZMSPKSB-UHFFFAOYSA-N -1 1 339.348 1.714 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCSC[C@@H]2CC(=O)[O-])c1[N+](=O)[O-] ZINC000827097539 594640085 /nfs/dbraw/zinc/64/00/85/594640085.db2.gz PPUZMFFNDMGXFP-QMMMGPOBSA-N -1 1 342.377 1.474 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000831738428 594697884 /nfs/dbraw/zinc/69/78/84/594697884.db2.gz MBMKXLMVSYOYND-VIFPVBQESA-N -1 1 342.764 1.868 20 5 EDBDMM CC1(C)COC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000841535420 594917656 /nfs/dbraw/zinc/91/76/56/594917656.db2.gz RHMVNCZVKIRYDR-JTQLQIEISA-N -1 1 348.764 1.478 20 5 EDBDMM O=C([O-])[C@]1(C(F)(F)F)CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000846277382 595195159 /nfs/dbraw/zinc/19/51/59/595195159.db2.gz HABMHFFLPHHESK-YPMHNXCESA-N -1 1 348.277 1.967 20 5 EDBDMM Cc1c([N+](=O)[O-])cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000843854670 595201998 /nfs/dbraw/zinc/20/19/98/595201998.db2.gz PMNYHHMFNJPCMV-SSDOTTSWSA-N -1 1 349.307 1.200 20 5 EDBDMM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000844147449 595285498 /nfs/dbraw/zinc/28/54/98/595285498.db2.gz QEHILGFSVWEWPR-KRWDZBQOSA-N -1 1 343.339 1.601 20 5 EDBDMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863473095 596591813 /nfs/dbraw/zinc/59/18/13/596591813.db2.gz ZJRAISGXDNPBSL-DZGCQCFKSA-N -1 1 332.312 1.905 20 5 EDBDMM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000101569304 219139644 /nfs/dbraw/zinc/13/96/44/219139644.db2.gz CBROZCQAJPZEPQ-UHFFFAOYSA-N -1 1 347.780 1.053 20 5 EDBDMM COCC(C)(C)N1CCN(c2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC000563204751 306323317 /nfs/dbraw/zinc/32/33/17/306323317.db2.gz ORLYKSNTWWILRN-UHFFFAOYSA-N -1 1 338.364 1.235 20 5 EDBDMM COc1ccc(C(=O)[N-]C(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 ZINC000022986361 212340544 /nfs/dbraw/zinc/34/05/44/212340544.db2.gz MNMYPFPIHAZQGJ-UHFFFAOYSA-N -1 1 332.316 1.373 20 5 EDBDMM COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC12CCC2 ZINC000365794054 284107675 /nfs/dbraw/zinc/10/76/75/284107675.db2.gz IBJOTGYEMUYRDQ-NSHDSACASA-N -1 1 335.316 1.111 20 5 EDBDMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000495424676 255284128 /nfs/dbraw/zinc/28/41/28/255284128.db2.gz PXTDBVUIFLKFKZ-QMMMGPOBSA-N -1 1 349.390 1.165 20 5 EDBDMM CCOC(=O)C[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000270557584 140123313 /nfs/dbraw/zinc/12/33/13/140123313.db2.gz ORJMUBXKNJCKTB-SECBINFHSA-N -1 1 348.352 1.602 20 5 EDBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000271309923 140275525 /nfs/dbraw/zinc/27/55/25/140275525.db2.gz YKXVDHMCXVNMFE-NXEZZACHSA-N -1 1 332.353 1.827 20 5 EDBDMM CN(C[C@@H]1CCn2ccnc2C1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369515807 155066604 /nfs/dbraw/zinc/06/66/04/155066604.db2.gz BCOSXISFMZGDPW-SNVBAGLBSA-N -1 1 331.332 1.227 20 5 EDBDMM O=C([O-])[C@H]1C=C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274936686 268243744 /nfs/dbraw/zinc/24/37/44/268243744.db2.gz DJXMIQYKNFQCEY-JGVFFNPUSA-N -1 1 330.293 1.042 20 5 EDBDMM C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274980657 268255384 /nfs/dbraw/zinc/25/53/84/268255384.db2.gz LMJMDEYEUOLGTQ-MRVPVSSYSA-N -1 1 334.325 1.656 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](OCc2ccccn2)C1 ZINC000275099338 268280993 /nfs/dbraw/zinc/28/09/93/268280993.db2.gz IOCNSKRGIVGPPN-CYBMUJFWSA-N -1 1 344.327 1.522 20 5 EDBDMM CCc1nc([C@@H]2CN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CCO2)n[nH]1 ZINC000273435496 273039378 /nfs/dbraw/zinc/03/93/78/273039378.db2.gz PUQLATWGKPRGQG-LBPRGKRZSA-N -1 1 347.331 1.195 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000273769044 273053874 /nfs/dbraw/zinc/05/38/74/273053874.db2.gz ZHBJENKRYBFUEQ-UHFFFAOYSA-N -1 1 328.346 1.110 20 5 EDBDMM CN(CCC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277618769 273212270 /nfs/dbraw/zinc/21/22/70/273212270.db2.gz ABKLMFBFWXWABQ-UHFFFAOYSA-N -1 1 325.321 1.499 20 5 EDBDMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000290988948 288985298 /nfs/dbraw/zinc/98/52/98/288985298.db2.gz SXIBWUZNKDZBMU-ZETCQYMHSA-N -1 1 335.769 1.467 20 5 EDBDMM CCC[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)OCC ZINC000448493418 305297097 /nfs/dbraw/zinc/29/70/97/305297097.db2.gz VYDZUIBIFQVGEA-SECBINFHSA-N -1 1 325.321 1.405 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCC(C)(F)F)c([N+](=O)[O-])n1 ZINC000451606277 305355945 /nfs/dbraw/zinc/35/59/45/305355945.db2.gz HJVIEQKLBBHMTK-UHFFFAOYSA-N -1 1 326.325 1.525 20 5 EDBDMM C[C@@]1(c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)NC(=O)NC1=O ZINC000517372278 305752066 /nfs/dbraw/zinc/75/20/66/305752066.db2.gz BQIHEFIRMQWHNC-HNNXBMFYSA-N -1 1 343.299 1.230 20 5 EDBDMM O=C(NCCc1ccc2c(c1)OCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000555979323 306207527 /nfs/dbraw/zinc/20/75/27/306207527.db2.gz OPLWUHIAHMDWCV-UHFFFAOYSA-N -1 1 331.284 1.397 20 5 EDBDMM CNC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000363 441499180 /nfs/dbraw/zinc/49/91/80/441499180.db2.gz NYOVNEOOJJPEMD-QMMMGPOBSA-N -1 1 335.407 1.095 20 5 EDBDMM Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000123876710 441902316 /nfs/dbraw/zinc/90/23/16/441902316.db2.gz STGIVXVEWSTNOU-LLVKDONJSA-N -1 1 345.446 1.727 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])N1CCCC1 ZINC000119526939 441939405 /nfs/dbraw/zinc/93/94/05/441939405.db2.gz FNQICQDAWQINJG-UHFFFAOYSA-N -1 1 347.780 1.149 20 5 EDBDMM CCc1nnc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191582695 442469605 /nfs/dbraw/zinc/46/96/05/442469605.db2.gz PEPOOSFPZNQEAI-UHFFFAOYSA-N -1 1 346.347 1.396 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000192131847 442599783 /nfs/dbraw/zinc/59/97/83/442599783.db2.gz CXOGJPYUAMQKJI-UHFFFAOYSA-N -1 1 346.258 1.782 20 5 EDBDMM O=C(NCc1cccnc1-n1cccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186999302 442642975 /nfs/dbraw/zinc/64/29/75/442642975.db2.gz ZRRWFHAMTYMCFO-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM Cc1ccc([C@@H]2COCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187102529 442653476 /nfs/dbraw/zinc/65/34/76/442653476.db2.gz FESMTSBFVJUFDZ-LBPRGKRZSA-N -1 1 333.300 1.811 20 5 EDBDMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187133264 442654881 /nfs/dbraw/zinc/65/48/81/442654881.db2.gz ANYNGXXGBJXJHE-QMMMGPOBSA-N -1 1 333.348 1.407 20 5 EDBDMM Cc1ccc2c(c1)nc(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)n2C ZINC000194020540 442830831 /nfs/dbraw/zinc/83/08/31/442830831.db2.gz CUPYRWUBXVBEAO-UHFFFAOYSA-N -1 1 341.327 1.821 20 5 EDBDMM O=C(NCc1ccnc(-n2ccnc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000189194061 442895657 /nfs/dbraw/zinc/89/56/57/442895657.db2.gz FHEHMOGVFIRZQX-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCOCC(F)F ZINC000190962231 443215200 /nfs/dbraw/zinc/21/52/00/443215200.db2.gz MQCAPVZVDBJHRU-UHFFFAOYSA-N -1 1 344.723 1.808 20 5 EDBDMM Cn1cc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000278416191 443323844 /nfs/dbraw/zinc/32/38/44/443323844.db2.gz SKXNAWSSJYLATA-SECBINFHSA-N -1 1 345.237 1.462 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000282733686 443419722 /nfs/dbraw/zinc/41/97/22/443419722.db2.gz ZYDXFSNJVKMCEE-QWHCGFSZSA-N -1 1 347.302 1.783 20 5 EDBDMM CC(C)(C)OC(=O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000265206368 443570211 /nfs/dbraw/zinc/57/02/11/443570211.db2.gz KVYSIRQIZPRUQC-UHFFFAOYSA-N -1 1 334.325 1.354 20 5 EDBDMM COc1ccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440319151 320071049 /nfs/dbraw/zinc/07/10/49/320071049.db2.gz XFTJQWXHTQFGFS-JTQLQIEISA-N -1 1 347.327 1.901 20 5 EDBDMM Cc1cnn(CC2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000440310669 320071061 /nfs/dbraw/zinc/07/10/61/320071061.db2.gz YKGZLPYFLFKAJQ-UHFFFAOYSA-N -1 1 345.359 1.753 20 5 EDBDMM COCc1nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n[n-]1 ZINC000285145332 443872064 /nfs/dbraw/zinc/87/20/64/443872064.db2.gz PMTNMVOGIRMTPT-UHFFFAOYSA-N -1 1 348.287 1.111 20 5 EDBDMM COC(=O)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295379191 444181176 /nfs/dbraw/zinc/18/11/76/444181176.db2.gz TUVFEWGNWHSRAC-UHFFFAOYSA-N -1 1 336.753 1.480 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@H]1CCCC[C@H]1O ZINC000611026989 450413818 /nfs/dbraw/zinc/41/38/18/450413818.db2.gz MSMDEEDCSDCMQL-VXGBXAGGSA-N -1 1 343.405 1.599 20 5 EDBDMM CCC[C@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1nn[n-]n1 ZINC000342936601 444952371 /nfs/dbraw/zinc/95/23/71/444952371.db2.gz XXCJVGSQLCBNFV-JTQLQIEISA-N -1 1 329.320 1.860 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])n1 ZINC000339045039 445006205 /nfs/dbraw/zinc/00/62/05/445006205.db2.gz OMSUXJUGVPRWMF-QMMMGPOBSA-N -1 1 338.336 1.667 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000339047709 445008337 /nfs/dbraw/zinc/00/83/37/445008337.db2.gz HFQAWXCRBXSPMF-MNOVXSKESA-N -1 1 330.410 1.916 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2ccc(C)[nH]c2=O)c([N+](=O)[O-])n1 ZINC000359642889 445353142 /nfs/dbraw/zinc/35/31/42/445353142.db2.gz OOSHRQHOKHJLEH-UHFFFAOYSA-N -1 1 327.322 1.021 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000357052037 445397050 /nfs/dbraw/zinc/39/70/50/445397050.db2.gz QQPFEQCCYAOEHS-UHFFFAOYSA-N -1 1 342.237 1.546 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]Cc1ncccc1O ZINC000360029393 445535806 /nfs/dbraw/zinc/53/58/06/445535806.db2.gz MXXYYRCSOPXLTJ-UHFFFAOYSA-N -1 1 343.748 1.827 20 5 EDBDMM O=C(N[C@H](CO)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356824798 446049936 /nfs/dbraw/zinc/04/99/36/446049936.db2.gz LWCHQQRRTVCZAM-LLVKDONJSA-N -1 1 337.719 1.812 20 5 EDBDMM C/C=C\C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OCC ZINC000433878208 446605655 /nfs/dbraw/zinc/60/56/55/446605655.db2.gz PGHWERDHYJPCSW-AZVKUDOFSA-N -1 1 348.402 1.833 20 5 EDBDMM Cc1cccc(OCC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000525184161 447974263 /nfs/dbraw/zinc/97/42/63/447974263.db2.gz KTFSKEUNXFGSFH-UHFFFAOYSA-N -1 1 337.357 1.656 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000531603164 448114527 /nfs/dbraw/zinc/11/45/27/448114527.db2.gz FMBMZPLCCZYVTN-GMTAPVOTSA-N -1 1 327.362 1.226 20 5 EDBDMM CC(C)(C)N1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1=O ZINC000592065370 448656645 /nfs/dbraw/zinc/65/66/45/448656645.db2.gz SYGOGKBYKHEMGP-QMMMGPOBSA-N -1 1 347.418 1.334 20 5 EDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567501257 448704611 /nfs/dbraw/zinc/70/46/11/448704611.db2.gz JYWLTAHPGCTPIZ-GYSYKLTISA-N -1 1 335.360 1.964 20 5 EDBDMM CC1(N2CCOCC2)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000600409910 449361483 /nfs/dbraw/zinc/36/14/83/449361483.db2.gz IPKLTLSRKIVOIJ-UHFFFAOYSA-N -1 1 349.387 1.627 20 5 EDBDMM O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600616957 449462149 /nfs/dbraw/zinc/46/21/49/449462149.db2.gz DFVDKZGAAGFVFK-TVQRCGJNSA-N -1 1 347.331 1.316 20 5 EDBDMM C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598775170 449594771 /nfs/dbraw/zinc/59/47/71/449594771.db2.gz AVTYMOMFWKTLRB-YGRLFVJLSA-N -1 1 331.328 1.590 20 5 EDBDMM O=C([N-]c1nn2cnnc2s1)c1cc([N+](=O)[O-])cc2c1OCCO2 ZINC000608985351 449954784 /nfs/dbraw/zinc/95/47/84/449954784.db2.gz WRACXQQQAAAEEM-UHFFFAOYSA-N -1 1 348.300 1.118 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@H]1c1ccsc1 ZINC000599460478 449994974 /nfs/dbraw/zinc/99/49/74/449994974.db2.gz XIBICSWIDBCRPR-VHSXEESVSA-N -1 1 325.371 1.886 20 5 EDBDMM CN1CC2(C1)CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000597569487 450114909 /nfs/dbraw/zinc/11/49/09/450114909.db2.gz WUTLPYWLXJCCSZ-UHFFFAOYSA-N -1 1 325.752 1.732 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000597622839 450152874 /nfs/dbraw/zinc/15/28/74/450152874.db2.gz OFFOGTKSZGRYER-UHFFFAOYSA-N -1 1 334.288 1.409 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1OCCc2ccccc21 ZINC000610263617 450174157 /nfs/dbraw/zinc/17/41/57/450174157.db2.gz HATLMSYNMDQKHG-CYBMUJFWSA-N -1 1 349.368 1.582 20 5 EDBDMM CCOC(=O)c1nc(CNC(=O)c2ccc([N+](=O)[O-])cc2C)n[n-]1 ZINC000615920108 450272688 /nfs/dbraw/zinc/27/26/88/450272688.db2.gz QJQAEOCKELFVDX-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000615920108 450272689 /nfs/dbraw/zinc/27/26/89/450272689.db2.gz QJQAEOCKELFVDX-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(CN2CCOCC2)CC1 ZINC000164240299 534715965 /nfs/dbraw/zinc/71/59/65/534715965.db2.gz DBTKJAGLXVKVJN-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM COc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000345476126 536737604 /nfs/dbraw/zinc/73/76/04/536737604.db2.gz GECBUKVJDUCUFR-UHFFFAOYSA-N -1 1 332.320 1.316 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cn2ccccc2n1 ZINC000742271632 579446232 /nfs/dbraw/zinc/44/62/32/579446232.db2.gz KUVRYSWZINDNDD-UHFFFAOYSA-N -1 1 333.329 1.116 20 5 EDBDMM C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736821778 579024114 /nfs/dbraw/zinc/02/41/14/579024114.db2.gz MSAWLXOKUPSHIM-BXUZGUMPSA-N -1 1 347.371 1.992 20 5 EDBDMM Cn1cc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)cn1 ZINC000798226414 580991439 /nfs/dbraw/zinc/99/14/39/580991439.db2.gz LFBAXUCKFXSTNL-UHFFFAOYSA-N -1 1 348.743 1.599 20 5 EDBDMM CCCS(=O)(=O)[N-]c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000903664618 592262264 /nfs/dbraw/zinc/26/22/64/592262264.db2.gz ALYZMPSCZKNVJQ-UHFFFAOYSA-N -1 1 342.421 1.498 20 5 EDBDMM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])[C@@H]1CN(C)CCN1C ZINC000910361830 592843934 /nfs/dbraw/zinc/84/39/34/592843934.db2.gz AKSGCUAOUHGGSM-SZNKJTEWSA-N -1 1 348.403 1.739 20 5 EDBDMM Cc1nn(C)c(Cl)c1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000816390695 593522079 /nfs/dbraw/zinc/52/20/79/593522079.db2.gz NCKQTMIOOQQKQV-UHFFFAOYSA-N -1 1 339.739 1.663 20 5 EDBDMM CC(=O)NCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000819780760 593768926 /nfs/dbraw/zinc/76/89/26/593768926.db2.gz KWTJIMUIWSNXLN-VIFPVBQESA-N -1 1 343.767 1.659 20 5 EDBDMM COc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000821716616 593922934 /nfs/dbraw/zinc/92/29/34/593922934.db2.gz CAPBKBFEXGPHLE-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000821716616 593922935 /nfs/dbraw/zinc/92/29/35/593922935.db2.gz CAPBKBFEXGPHLE-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM CCN(CC)C(=S)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821175593 593983516 /nfs/dbraw/zinc/98/35/16/593983516.db2.gz PCGYXRYAKHBYPS-UHFFFAOYSA-N -1 1 339.406 1.889 20 5 EDBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000824436815 594011700 /nfs/dbraw/zinc/01/17/00/594011700.db2.gz VPRMWEUFXWXYLO-SNVBAGLBSA-N -1 1 348.363 1.976 20 5 EDBDMM C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000824436815 594011703 /nfs/dbraw/zinc/01/17/03/594011703.db2.gz VPRMWEUFXWXYLO-SNVBAGLBSA-N -1 1 348.363 1.976 20 5 EDBDMM Cc1ccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])o1 ZINC000822230820 594015449 /nfs/dbraw/zinc/01/54/49/594015449.db2.gz RGBBHCAJQNJBRX-VIFPVBQESA-N -1 1 331.292 1.217 20 5 EDBDMM Cc1ccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])o1 ZINC000822230820 594015451 /nfs/dbraw/zinc/01/54/51/594015451.db2.gz RGBBHCAJQNJBRX-VIFPVBQESA-N -1 1 331.292 1.217 20 5 EDBDMM Cc1nsc(N(C)C(=O)c2ccccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822531083 594063168 /nfs/dbraw/zinc/06/31/68/594063168.db2.gz STFTVCAJETVJEZ-UHFFFAOYSA-N -1 1 345.344 1.816 20 5 EDBDMM Cc1nsc(N(C)C(=O)c2ccccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822531083 594063170 /nfs/dbraw/zinc/06/31/70/594063170.db2.gz STFTVCAJETVJEZ-UHFFFAOYSA-N -1 1 345.344 1.816 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCc2c1cccc2O ZINC000823620035 594221817 /nfs/dbraw/zinc/22/18/17/594221817.db2.gz HEAAEOHKSKJWLY-LLVKDONJSA-N -1 1 339.315 1.975 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCc2c1cccc2O ZINC000823620035 594221818 /nfs/dbraw/zinc/22/18/18/594221818.db2.gz HEAAEOHKSKJWLY-LLVKDONJSA-N -1 1 339.315 1.975 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000828083827 594337465 /nfs/dbraw/zinc/33/74/65/594337465.db2.gz SMGGDRFDIQIWFK-UHFFFAOYSA-N -1 1 336.739 1.961 20 5 EDBDMM CN(C[C@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000828181401 594360002 /nfs/dbraw/zinc/36/00/02/594360002.db2.gz SXGYVIRAYULXIZ-SNVBAGLBSA-N -1 1 337.332 1.762 20 5 EDBDMM Nc1c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826395537 594458556 /nfs/dbraw/zinc/45/85/56/594458556.db2.gz HFPYYIZTSNIIIC-UHFFFAOYSA-N -1 1 341.287 1.109 20 5 EDBDMM Nc1c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826395537 594458557 /nfs/dbraw/zinc/45/85/57/594458557.db2.gz HFPYYIZTSNIIIC-UHFFFAOYSA-N -1 1 341.287 1.109 20 5 EDBDMM O=C(CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)NCc1ccco1 ZINC000826414038 594465834 /nfs/dbraw/zinc/46/58/34/594465834.db2.gz BAXAYSCSQBPJFD-UHFFFAOYSA-N -1 1 343.303 1.096 20 5 EDBDMM O=C(CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)NCc1ccco1 ZINC000826414038 594465835 /nfs/dbraw/zinc/46/58/35/594465835.db2.gz BAXAYSCSQBPJFD-UHFFFAOYSA-N -1 1 343.303 1.096 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCn2ccnc21 ZINC000831739083 594697968 /nfs/dbraw/zinc/69/79/68/594697968.db2.gz QKFBWURQRIKRFC-SECBINFHSA-N -1 1 342.764 1.868 20 5 EDBDMM O=C([O-])N1CCC[C@H]1CN1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000834111242 595017488 /nfs/dbraw/zinc/01/74/88/595017488.db2.gz CFLFPPHDRBZIHR-HNNXBMFYSA-N -1 1 334.376 1.859 20 5 EDBDMM O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847090255 595361977 /nfs/dbraw/zinc/36/19/77/595361977.db2.gz IQBSYRLKEDMYHE-ZYHUDNBSSA-N -1 1 348.315 1.123 20 5 EDBDMM CC(C)OC(=O)C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848583500 595409641 /nfs/dbraw/zinc/40/96/41/595409641.db2.gz UAMCSKXNRHXTAA-UHFFFAOYSA-N -1 1 332.259 1.634 20 5 EDBDMM COC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000859288487 596035479 /nfs/dbraw/zinc/03/54/79/596035479.db2.gz YYIMIPXDQIVSLW-VIFPVBQESA-N -1 1 344.320 1.274 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCN(CCF)C1 ZINC000867711227 596508920 /nfs/dbraw/zinc/50/89/20/596508920.db2.gz IXPQDJUGWKEDEU-SNVBAGLBSA-N -1 1 349.359 1.446 20 5 EDBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000872654307 597011891 /nfs/dbraw/zinc/01/18/91/597011891.db2.gz RISRHCDWHZTXOG-XEVUQIKYSA-N -1 1 332.403 1.892 20 5 EDBDMM CN(C[C@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739664184 602524993 /nfs/dbraw/zinc/52/49/93/602524993.db2.gz KPCKSTBDDRBYEL-LLVKDONJSA-N -1 1 333.348 1.834 20 5 EDBDMM CC(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000559616276 306257106 /nfs/dbraw/zinc/25/71/06/306257106.db2.gz PJSXQZLAQPKPGR-WCQYABFASA-N -1 1 343.405 1.719 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000187204660 138824350 /nfs/dbraw/zinc/82/43/50/138824350.db2.gz DEEMBWKDTMKNFV-SKDRFNHKSA-N -1 1 329.312 1.990 20 5 EDBDMM O=C([O-])[C@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000262251181 139263592 /nfs/dbraw/zinc/26/35/92/139263592.db2.gz XSJNTYZILOVVOQ-ZDUSSCGKSA-N -1 1 336.329 1.161 20 5 EDBDMM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC3 ZINC000363080112 304251431 /nfs/dbraw/zinc/25/14/31/304251431.db2.gz UOOMRSYSVJNJQU-HZMBPMFUSA-N -1 1 329.312 1.416 20 5 EDBDMM O=C(NCCCOC[C@@H]1CCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263986600 139374113 /nfs/dbraw/zinc/37/41/13/139374113.db2.gz DRTGDXZWCYUGLX-NSHDSACASA-N -1 1 325.321 1.011 20 5 EDBDMM CC(C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290871540 288966751 /nfs/dbraw/zinc/96/67/51/288966751.db2.gz YEDNLKQQMQENNC-UHFFFAOYSA-N -1 1 326.733 1.437 20 5 EDBDMM C[C@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000270191922 140057715 /nfs/dbraw/zinc/05/77/15/140057715.db2.gz AMHYSCHSKHPPES-VIFPVBQESA-N -1 1 336.797 1.935 20 5 EDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H](CO)CC(F)(F)F ZINC000339783663 142155122 /nfs/dbraw/zinc/15/51/22/142155122.db2.gz MIFVDYYFDVADGU-ZETCQYMHSA-N -1 1 328.268 1.186 20 5 EDBDMM C[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000371790438 156107103 /nfs/dbraw/zinc/10/71/03/156107103.db2.gz XNAJIJZUQLMPBF-VHSXEESVSA-N -1 1 348.338 1.757 20 5 EDBDMM CSc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000124372350 222418687 /nfs/dbraw/zinc/41/86/87/222418687.db2.gz MMOVGINOHQQUPK-MRVPVSSYSA-N -1 1 336.377 1.706 20 5 EDBDMM COc1ccc2c(c1)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCO2 ZINC000345573130 277988048 /nfs/dbraw/zinc/98/80/48/277988048.db2.gz OIVXHRYLWUXEDZ-CYBMUJFWSA-N -1 1 345.311 1.958 20 5 EDBDMM COC1([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOCC1 ZINC000422078566 447335969 /nfs/dbraw/zinc/33/59/69/447335969.db2.gz MHDFWMIYILUOPR-VIFPVBQESA-N -1 1 325.321 1.009 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(-c3ncccn3)c2)n1 ZINC000439163404 305194937 /nfs/dbraw/zinc/19/49/37/305194937.db2.gz RTVFIOSBIDWVRQ-UHFFFAOYSA-N -1 1 341.287 1.496 20 5 EDBDMM COc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000441542700 305222694 /nfs/dbraw/zinc/22/26/94/305222694.db2.gz HBKRDXCBZSIRCQ-UHFFFAOYSA-N -1 1 343.386 1.581 20 5 EDBDMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000539387270 306035149 /nfs/dbraw/zinc/03/51/49/306035149.db2.gz RYDMZZZYNVBHOW-INTQDDNPSA-N -1 1 329.378 1.328 20 5 EDBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000113290547 441598624 /nfs/dbraw/zinc/59/86/24/441598624.db2.gz WTPJPXIIABXNKO-SNVBAGLBSA-N -1 1 349.796 1.427 20 5 EDBDMM C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000184619774 443049755 /nfs/dbraw/zinc/04/97/55/443049755.db2.gz DANXJEVNJVNXSX-RYUDHWBXSA-N -1 1 337.376 1.530 20 5 EDBDMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268788158 443109120 /nfs/dbraw/zinc/10/91/20/443109120.db2.gz LYWZYVIVPSDTEJ-ZETCQYMHSA-N -1 1 336.753 1.336 20 5 EDBDMM Cc1cc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)[nH]n1 ZINC000282829894 443444999 /nfs/dbraw/zinc/44/49/99/443444999.db2.gz QHYFQDXKIQHBHF-JTQLQIEISA-N -1 1 331.332 1.747 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282921461 443470323 /nfs/dbraw/zinc/47/03/23/443470323.db2.gz NXOHWFZOFDHMDB-JTQLQIEISA-N -1 1 331.332 1.334 20 5 EDBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000443713843 320110339 /nfs/dbraw/zinc/11/03/39/320110339.db2.gz BBMHWKGPZBXSGA-GXFFZTMASA-N -1 1 344.389 1.602 20 5 EDBDMM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)OCCc2sccc21 ZINC000291025543 443735722 /nfs/dbraw/zinc/73/57/22/443735722.db2.gz DTRZUXQCCZWKGA-HNNXBMFYSA-N -1 1 349.368 1.975 20 5 EDBDMM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298982341 443920563 /nfs/dbraw/zinc/92/05/63/443920563.db2.gz JHXGXGHPIXZCKA-VIFPVBQESA-N -1 1 328.325 1.297 20 5 EDBDMM COc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000561106147 321032701 /nfs/dbraw/zinc/03/27/01/321032701.db2.gz GGSHIKNGFNHHHM-NSHDSACASA-N -1 1 349.368 1.444 20 5 EDBDMM O=C([O-])[C@@H]1CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000319263978 444323326 /nfs/dbraw/zinc/32/33/26/444323326.db2.gz BWLKLUFIDBHRDE-SFYZADRCSA-N -1 1 332.309 1.266 20 5 EDBDMM O=C(CNC(=O)c1ncccc1[O-])N1CCc2ccc([N+](=O)[O-])cc21 ZINC000337947599 444468031 /nfs/dbraw/zinc/46/80/31/444468031.db2.gz OHLDBLGSRGMZCB-UHFFFAOYSA-N -1 1 342.311 1.015 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(F)c(F)c1 ZINC000580926210 322112223 /nfs/dbraw/zinc/11/22/23/322112223.db2.gz ZDTVATVUGJXEAP-UHFFFAOYSA-N -1 1 329.284 1.747 20 5 EDBDMM COCCOc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000581349436 322166612 /nfs/dbraw/zinc/16/66/12/322166612.db2.gz OSTIMLWLXIXPRS-UHFFFAOYSA-N -1 1 348.315 1.046 20 5 EDBDMM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341011376 444630765 /nfs/dbraw/zinc/63/07/65/444630765.db2.gz FRMMWPHTNWVIGP-RQJHMYQMSA-N -1 1 326.421 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CCO)CC(C)C)c([N+](=O)[O-])n1 ZINC000339048316 445008303 /nfs/dbraw/zinc/00/83/03/445008303.db2.gz LVVVUCQJTZJBMO-LLVKDONJSA-N -1 1 348.425 1.134 20 5 EDBDMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339128985 445046755 /nfs/dbraw/zinc/04/67/55/445046755.db2.gz MSEXGTMGDTZKGP-CHWSQXEVSA-N -1 1 343.405 1.250 20 5 EDBDMM CCNC(=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000362893603 445599404 /nfs/dbraw/zinc/59/94/04/445599404.db2.gz RRGIJEXJXJBVJL-UHFFFAOYSA-N -1 1 347.418 1.241 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1 ZINC000361919595 446068680 /nfs/dbraw/zinc/06/86/80/446068680.db2.gz RURPWEXXTXNDDJ-JTQLQIEISA-N -1 1 344.327 1.130 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1 ZINC000362129276 446227420 /nfs/dbraw/zinc/22/74/20/446227420.db2.gz KQCBCGNWCBWRAA-SECBINFHSA-N -1 1 330.300 1.452 20 5 EDBDMM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(OC)n1 ZINC000359560586 446292051 /nfs/dbraw/zinc/29/20/51/446292051.db2.gz LTHULWQPFMDZJB-UHFFFAOYSA-N -1 1 334.288 1.038 20 5 EDBDMM O=C(N[C@H]1CCc2ccccc2OC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000374881495 446432959 /nfs/dbraw/zinc/43/29/59/446432959.db2.gz UWSXNSBLRRBCMQ-LBPRGKRZSA-N -1 1 329.312 1.819 20 5 EDBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CO)C(C)C ZINC000452964500 446519429 /nfs/dbraw/zinc/51/94/29/446519429.db2.gz PXVXKEYOQBKGFZ-WCQYABFASA-N -1 1 325.365 1.714 20 5 EDBDMM O=C(NCc1nc2c(s1)CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445176058 447178293 /nfs/dbraw/zinc/17/82/93/447178293.db2.gz RABZDEDWZNBSMS-UHFFFAOYSA-N -1 1 334.357 1.961 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000525702157 448014831 /nfs/dbraw/zinc/01/48/31/448014831.db2.gz MYJUDTNMOIRVGG-GDPRMGEGSA-N -1 1 327.362 1.082 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000514947298 448232093 /nfs/dbraw/zinc/23/20/93/448232093.db2.gz WVAXPAFJCLVYGW-OAHLLOKOSA-N -1 1 332.316 1.941 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000532350124 448242378 /nfs/dbraw/zinc/24/23/78/448242378.db2.gz ASRCXTKXYKXJRO-MRVPVSSYSA-N -1 1 326.334 1.634 20 5 EDBDMM Cc1nn(-c2ccccc2)c(=NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]1 ZINC000578366714 448528934 /nfs/dbraw/zinc/52/89/34/448528934.db2.gz QAXKOBLMSGZLMQ-UHFFFAOYSA-N -1 1 339.311 1.864 20 5 EDBDMM COC(=O)[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592076354 448662502 /nfs/dbraw/zinc/66/25/02/448662502.db2.gz YVHRYAQBXBEUDH-SECBINFHSA-N -1 1 345.377 1.246 20 5 EDBDMM COCC1(C(=O)[O-])CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000574407371 448867174 /nfs/dbraw/zinc/86/71/74/448867174.db2.gz MIKRBGDHTBZQSA-UHFFFAOYSA-N -1 1 338.360 1.917 20 5 EDBDMM Cn1ncc2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc21 ZINC000568982592 448948446 /nfs/dbraw/zinc/94/84/46/448948446.db2.gz BKEBJUCGMMQORY-UHFFFAOYSA-N -1 1 327.300 1.512 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000590399553 449147737 /nfs/dbraw/zinc/14/77/37/449147737.db2.gz ZVEPVJJEGPJWLH-UHFFFAOYSA-N -1 1 328.288 1.770 20 5 EDBDMM O=C([O-])c1cc(N2CCN(C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000604474708 449235575 /nfs/dbraw/zinc/23/55/75/449235575.db2.gz RKKJAMKGHQVJDO-CYBMUJFWSA-N -1 1 335.360 1.594 20 5 EDBDMM O=C(N[C@@H](c1nn[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604513363 449243043 /nfs/dbraw/zinc/24/30/43/449243043.db2.gz UQDYQFRHSODSTM-CYBMUJFWSA-N -1 1 340.299 1.333 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000598508077 449432645 /nfs/dbraw/zinc/43/26/45/449432645.db2.gz CAQAEKYXBPLLLW-MRVPVSSYSA-N -1 1 335.238 1.489 20 5 EDBDMM CC1(C)C[C@H](S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])CO1 ZINC000600656844 449474178 /nfs/dbraw/zinc/47/41/78/449474178.db2.gz WJEKIHKHMPANPM-QMMMGPOBSA-N -1 1 344.345 1.602 20 5 EDBDMM O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cccc([N+](=O)[O-])c1[O-] ZINC000594386303 449485070 /nfs/dbraw/zinc/48/50/70/449485070.db2.gz QDQWRMQSOMULPB-SNVBAGLBSA-N -1 1 333.304 1.200 20 5 EDBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000597161220 449844548 /nfs/dbraw/zinc/84/45/48/449844548.db2.gz JUEBFICRDDYGOV-LBPRGKRZSA-N -1 1 348.315 1.081 20 5 EDBDMM Cc1cc(S(=O)(=O)[N-]CCOC(F)(F)F)c([N+](=O)[O-])s1 ZINC000601401558 449917019 /nfs/dbraw/zinc/91/70/19/449917019.db2.gz SRKXUCRHXFSWAC-UHFFFAOYSA-N -1 1 334.297 1.779 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)ccc1[O-] ZINC000609128650 449962509 /nfs/dbraw/zinc/96/25/09/449962509.db2.gz JATBZLZPYMVAMD-UHFFFAOYSA-N -1 1 336.329 1.769 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])n1 ZINC000595350582 450065106 /nfs/dbraw/zinc/06/51/06/450065106.db2.gz FIHCTHFKKAQIKC-QMMMGPOBSA-N -1 1 338.336 1.381 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)on1 ZINC000595344147 450056981 /nfs/dbraw/zinc/05/69/81/450056981.db2.gz AGEIAWBCSHBGKI-UHFFFAOYSA-N -1 1 341.345 1.687 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccsc2)c([N+](=O)[O-])n1 ZINC000619751915 450327029 /nfs/dbraw/zinc/32/70/29/450327029.db2.gz BGTFAZUDBMBRGR-MRVPVSSYSA-N -1 1 330.391 1.912 20 5 EDBDMM CC(C)Oc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603903965 450375128 /nfs/dbraw/zinc/37/51/28/450375128.db2.gz RNCJCJWQPDCYDY-UHFFFAOYSA-N -1 1 332.316 1.808 20 5 EDBDMM CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000133194303 528379038 /nfs/dbraw/zinc/37/90/38/528379038.db2.gz VYPHUNVCWYXNMQ-VIFPVBQESA-N -1 1 345.352 1.023 20 5 EDBDMM O=C([O-])N1CCC[C@@H]1CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740420594 579344267 /nfs/dbraw/zinc/34/42/67/579344267.db2.gz XBULQQFLJIEVCE-SECBINFHSA-N -1 1 333.304 1.343 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739376454 578279463 /nfs/dbraw/zinc/27/94/63/578279463.db2.gz PUJINVWPMBWCQD-QMMMGPOBSA-N -1 1 325.325 1.000 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cnc(C)s2)c([N+](=O)[O-])n1 ZINC000754809308 579913033 /nfs/dbraw/zinc/91/30/33/579913033.db2.gz MIRZXUNWRIPVRN-UHFFFAOYSA-N -1 1 345.406 1.097 20 5 EDBDMM CC(C)c1nc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000768881685 580223343 /nfs/dbraw/zinc/22/33/43/580223343.db2.gz IWAGLYZWIYFRGG-ZETCQYMHSA-N -1 1 345.406 1.937 20 5 EDBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000768881685 580223344 /nfs/dbraw/zinc/22/33/44/580223344.db2.gz IWAGLYZWIYFRGG-ZETCQYMHSA-N -1 1 345.406 1.937 20 5 EDBDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000768881695 580223349 /nfs/dbraw/zinc/22/33/49/580223349.db2.gz JCIRNEZXHUUZAX-ZCFIWIBFSA-N -1 1 331.379 1.376 20 5 EDBDMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000768881695 580223350 /nfs/dbraw/zinc/22/33/50/580223350.db2.gz JCIRNEZXHUUZAX-ZCFIWIBFSA-N -1 1 331.379 1.376 20 5 EDBDMM CC[C@@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019770 593610028 /nfs/dbraw/zinc/61/00/28/593610028.db2.gz MQJQBOOOKYCWHI-ZETCQYMHSA-N -1 1 340.760 1.827 20 5 EDBDMM COC(=O)[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC(C)C ZINC000821640939 593892554 /nfs/dbraw/zinc/89/25/54/593892554.db2.gz SDMCVFXUIMXEIK-VIFPVBQESA-N -1 1 349.351 1.417 20 5 EDBDMM COC(=O)[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC(C)C ZINC000821640939 593892555 /nfs/dbraw/zinc/89/25/55/593892555.db2.gz SDMCVFXUIMXEIK-VIFPVBQESA-N -1 1 349.351 1.417 20 5 EDBDMM COC(=O)c1cc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1C ZINC000821668008 593904548 /nfs/dbraw/zinc/90/45/48/593904548.db2.gz KSVCHSVWMCAJMW-UHFFFAOYSA-N -1 1 344.291 1.039 20 5 EDBDMM COC(=O)c1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1C ZINC000821668008 593904550 /nfs/dbraw/zinc/90/45/50/593904550.db2.gz KSVCHSVWMCAJMW-UHFFFAOYSA-N -1 1 344.291 1.039 20 5 EDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000823294533 594181367 /nfs/dbraw/zinc/18/13/67/594181367.db2.gz FUGYHEKNIHBHOM-UHFFFAOYSA-N -1 1 342.271 1.438 20 5 EDBDMM O=[N+]([O-])c1cnc(Sc2nnc3ccccn32)c(-c2nn[n-]n2)c1 ZINC000823650899 594224726 /nfs/dbraw/zinc/22/47/26/594224726.db2.gz CZAILZKYUCPGPX-UHFFFAOYSA-N -1 1 341.316 1.364 20 5 EDBDMM Cc1onc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000826290955 594412254 /nfs/dbraw/zinc/41/22/54/594412254.db2.gz IMXNYGLJSKLAHB-UHFFFAOYSA-N -1 1 343.303 1.561 20 5 EDBDMM Cc1onc(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000826290955 594412255 /nfs/dbraw/zinc/41/22/55/594412255.db2.gz IMXNYGLJSKLAHB-UHFFFAOYSA-N -1 1 343.303 1.561 20 5 EDBDMM C[C@@H](CN(CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1)C(=O)[O-] ZINC000827448658 594673042 /nfs/dbraw/zinc/67/30/42/594673042.db2.gz AKKAZEHLUWPSIN-NSHDSACASA-N -1 1 347.371 1.669 20 5 EDBDMM CCc1ccc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1[N+](=O)[O-] ZINC000833669408 594902301 /nfs/dbraw/zinc/90/23/01/594902301.db2.gz HXOOQKCKSIAJLQ-LBPRGKRZSA-N -1 1 332.316 1.306 20 5 EDBDMM Cc1nn(CN2CC[C@@H](CNC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920891 594965863 /nfs/dbraw/zinc/96/58/63/594965863.db2.gz ODZRUPOJWOMQKV-NSHDSACASA-N -1 1 333.348 1.800 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCn1ccnc1 ZINC000101569059 595176661 /nfs/dbraw/zinc/17/66/61/595176661.db2.gz WAVQLHXXZJNDEL-UHFFFAOYSA-N -1 1 330.753 1.423 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000867310737 595232277 /nfs/dbraw/zinc/23/22/77/595232277.db2.gz BUUFAKQFYVGBKI-GFCCVEGCSA-N -1 1 332.353 1.746 20 5 EDBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@H](c2nc[nH]n2)C1 ZINC000565836863 306393118 /nfs/dbraw/zinc/39/31/18/306393118.db2.gz XWKDXDXBDCJVFY-ZETCQYMHSA-N -1 1 337.723 1.702 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000045816113 148921347 /nfs/dbraw/zinc/92/13/47/148921347.db2.gz ODZZCXJUWHZWTM-ZETCQYMHSA-N -1 1 335.769 1.003 20 5 EDBDMM O=C(N[C@@H]1c2ccccc2CC[C@@H]1CO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364646364 153293318 /nfs/dbraw/zinc/29/33/18/153293318.db2.gz CTPRIDXGHCUROO-ABAIWWIYSA-N -1 1 343.339 1.721 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123335858 222259203 /nfs/dbraw/zinc/25/92/03/222259203.db2.gz AROOFMLVXWIXAW-IUCAKERBSA-N -1 1 335.238 1.223 20 5 EDBDMM Cn1cc([C@H]2OCCC[C@@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000275317268 268321719 /nfs/dbraw/zinc/32/17/19/268321719.db2.gz DCOZRGIGPNDFSR-WCQYABFASA-N -1 1 347.331 1.079 20 5 EDBDMM Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290704038 288939810 /nfs/dbraw/zinc/93/98/10/288939810.db2.gz NTIWTBPUEROUSO-MRVPVSSYSA-N -1 1 335.286 1.223 20 5 EDBDMM CC[C@@H](COCC(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295468848 303223783 /nfs/dbraw/zinc/22/37/83/303223783.db2.gz QNXROMNMZOTIHD-QMMMGPOBSA-N -1 1 337.254 1.783 20 5 EDBDMM C[C@H](CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000458402458 447347792 /nfs/dbraw/zinc/34/77/92/447347792.db2.gz VVIVSCQPNGSTFF-SECBINFHSA-N -1 1 339.348 1.745 20 5 EDBDMM C[C@@H](CC(=O)OC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445176787 305257476 /nfs/dbraw/zinc/25/74/76/305257476.db2.gz BCBWQMKXGFVKKC-QMMMGPOBSA-N -1 1 325.321 1.546 20 5 EDBDMM NC(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445185393 305257603 /nfs/dbraw/zinc/25/76/03/305257603.db2.gz FTSVDCUZGRYDSC-UHFFFAOYSA-N -1 1 331.288 1.116 20 5 EDBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000555010116 306199655 /nfs/dbraw/zinc/19/96/55/306199655.db2.gz BJIZRCSDLYSSKH-SNVBAGLBSA-N -1 1 346.347 1.526 20 5 EDBDMM COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000016498441 441226365 /nfs/dbraw/zinc/22/63/65/441226365.db2.gz LKMTYNSUJPPTFG-UHFFFAOYSA-N -1 1 333.300 1.513 20 5 EDBDMM CCN1CCC(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000021868408 441274368 /nfs/dbraw/zinc/27/43/68/441274368.db2.gz IXYCMIDGIXXOPN-UHFFFAOYSA-N -1 1 329.378 1.063 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000129256677 442308446 /nfs/dbraw/zinc/30/84/46/442308446.db2.gz BXVOFVZTKRQRBL-JLLWLGSASA-N -1 1 344.364 1.970 20 5 EDBDMM O=C(NCc1nncn1-c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186916326 442629915 /nfs/dbraw/zinc/62/99/15/442629915.db2.gz WBPOQRRCFXOWFZ-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000187351220 442671472 /nfs/dbraw/zinc/67/14/72/442671472.db2.gz DVUWLENHGMTHRG-WCQYABFASA-N -1 1 346.391 1.939 20 5 EDBDMM C[C@@H]1Cc2ccccc2N1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188309728 442736945 /nfs/dbraw/zinc/73/69/45/442736945.db2.gz ODRLMUASSJTMEA-LLVKDONJSA-N -1 1 342.355 1.876 20 5 EDBDMM C[C@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183190759 442899721 /nfs/dbraw/zinc/89/97/21/442899721.db2.gz QSRZYEMCLXMNHR-XJZHNMMOSA-N -1 1 340.810 1.294 20 5 EDBDMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195477660 443023411 /nfs/dbraw/zinc/02/34/11/443023411.db2.gz PECOCLIHPWXNPF-OIBJUYFYSA-N -1 1 347.780 1.051 20 5 EDBDMM CO[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000266240915 443070305 /nfs/dbraw/zinc/07/03/05/443070305.db2.gz VZZZFBAEXDJQAL-MNOVXSKESA-N -1 1 332.353 1.970 20 5 EDBDMM CC(C)OC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000267166077 443364323 /nfs/dbraw/zinc/36/43/23/443364323.db2.gz HQIPSMKUEKEFOZ-VIFPVBQESA-N -1 1 348.352 1.600 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000428411208 319910947 /nfs/dbraw/zinc/91/09/47/319910947.db2.gz CULJDRWMQRCLEV-ZETCQYMHSA-N -1 1 344.723 1.543 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccc2O)CC1 ZINC000281312226 443876568 /nfs/dbraw/zinc/87/65/68/443876568.db2.gz SCYPDGRFATZGBW-UHFFFAOYSA-N -1 1 344.327 1.363 20 5 EDBDMM Cn1cc([C@@H]2N(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000552079311 320923309 /nfs/dbraw/zinc/92/33/09/320923309.db2.gz WGMNGVQOFVWDFM-LBPRGKRZSA-N -1 1 331.332 1.652 20 5 EDBDMM Cn1nccc1[C@@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000282126722 444093259 /nfs/dbraw/zinc/09/32/59/444093259.db2.gz PDYQOHVJLQMYCM-LBPRGKRZSA-N -1 1 331.332 1.796 20 5 EDBDMM CCc1ccccc1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339040517 445002855 /nfs/dbraw/zinc/00/28/55/445002855.db2.gz FIJNANJASSMSCJ-UHFFFAOYSA-N -1 1 338.389 1.852 20 5 EDBDMM CCS[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339042306 445004099 /nfs/dbraw/zinc/00/40/99/445004099.db2.gz KUYKOOAEZDRATE-UWVGGRQHSA-N -1 1 348.450 1.764 20 5 EDBDMM CC(C)(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nn[n-]n1 ZINC000354792178 445391357 /nfs/dbraw/zinc/39/13/57/445391357.db2.gz OUCYMORHGOAOQH-UHFFFAOYSA-N -1 1 332.345 1.988 20 5 EDBDMM Cc1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cn(C)c1=O ZINC000362863159 445586541 /nfs/dbraw/zinc/58/65/41/445586541.db2.gz MFMNGGWLEFIFLG-UHFFFAOYSA-N -1 1 329.359 1.464 20 5 EDBDMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[C@H]2C1 ZINC000356615268 445887791 /nfs/dbraw/zinc/88/77/91/445887791.db2.gz IMWYDRNOOICDBK-BPNCWPANSA-N -1 1 348.359 1.072 20 5 EDBDMM COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc(OC)c1 ZINC000354155463 445953990 /nfs/dbraw/zinc/95/39/90/445953990.db2.gz MVVJKHNJPSDHCM-UHFFFAOYSA-N -1 1 347.327 1.985 20 5 EDBDMM Cc1c([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1C ZINC000373223565 446102693 /nfs/dbraw/zinc/10/26/93/446102693.db2.gz YWXHHLDLOGIFJA-GFCCVEGCSA-N -1 1 331.332 1.715 20 5 EDBDMM O=C(NCCOc1ncccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362357809 446333293 /nfs/dbraw/zinc/33/32/93/446333293.db2.gz HGYFSGPFGOGWMA-UHFFFAOYSA-N -1 1 338.707 1.553 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000452596271 446433735 /nfs/dbraw/zinc/43/37/35/446433735.db2.gz SCNXPLPIFRPMBS-OUCADQQQSA-N -1 1 335.360 1.851 20 5 EDBDMM CNc1nccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000561317586 448237431 /nfs/dbraw/zinc/23/74/31/448237431.db2.gz SCUSOGWHXFXAHK-UHFFFAOYSA-N -1 1 345.363 2.381 20 5 EDBDMM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566221202 448417234 /nfs/dbraw/zinc/41/72/34/448417234.db2.gz QLCNWEVWTCYZLY-GRYCIOLGSA-N -1 1 335.360 1.964 20 5 EDBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000592894423 449040783 /nfs/dbraw/zinc/04/07/83/449040783.db2.gz UZDJLFYRACTBEK-VIFPVBQESA-N -1 1 325.321 1.546 20 5 EDBDMM COC(=O)c1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590349588 449136053 /nfs/dbraw/zinc/13/60/53/449136053.db2.gz XKOQAVGHSGAMOO-UHFFFAOYSA-N -1 1 331.284 1.412 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000590566332 449193516 /nfs/dbraw/zinc/19/35/16/449193516.db2.gz XKNGRYXBIOMSIN-QMMMGPOBSA-N -1 1 333.304 1.089 20 5 EDBDMM CC[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593557444 449347667 /nfs/dbraw/zinc/34/76/67/449347667.db2.gz DYTWRYUJRWITGG-NSHDSACASA-N -1 1 328.394 1.143 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000593558848 449348999 /nfs/dbraw/zinc/34/89/99/449348999.db2.gz SWVFNKPTPUWPIL-LLVKDONJSA-N -1 1 341.345 1.557 20 5 EDBDMM CC1(C)C[C@@H](S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])CO1 ZINC000600656835 449474302 /nfs/dbraw/zinc/47/43/02/449474302.db2.gz WJEKIHKHMPANPM-MRVPVSSYSA-N -1 1 344.345 1.602 20 5 EDBDMM COCc1cccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000610262232 450173972 /nfs/dbraw/zinc/17/39/72/450173972.db2.gz SZVPDPKDHHGPMO-UHFFFAOYSA-N -1 1 337.357 1.615 20 5 EDBDMM Cc1noc([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000186992823 534447619 /nfs/dbraw/zinc/44/76/19/534447619.db2.gz KOJCUEOTEPKCCA-SECBINFHSA-N -1 1 333.304 1.407 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOC[C@@H]1CCOC1 ZINC000731677185 578678512 /nfs/dbraw/zinc/67/85/12/578678512.db2.gz RNWUMAWGBNABCI-SNVBAGLBSA-N -1 1 348.352 1.065 20 5 EDBDMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000734704682 578832836 /nfs/dbraw/zinc/83/28/36/578832836.db2.gz WAQVKZSMNNMSNP-UHFFFAOYSA-N -1 1 338.345 1.195 20 5 EDBDMM O=C([O-])CCc1nnc(NC(=O)c2cc(F)ccc2[N+](=O)[O-])s1 ZINC000739778503 579249661 /nfs/dbraw/zinc/24/96/61/579249661.db2.gz UNIORFQJXVADOS-UHFFFAOYSA-N -1 1 340.292 1.855 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)co1 ZINC000756394972 579949224 /nfs/dbraw/zinc/94/92/24/579949224.db2.gz OEEHGVCGJRSLMQ-UHFFFAOYSA-N -1 1 340.313 1.453 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)CC(F)F ZINC000758232594 579977844 /nfs/dbraw/zinc/97/78/44/579977844.db2.gz GMTREUSSXFHCBN-SSDOTTSWSA-N -1 1 344.723 1.543 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOCC1CCC1 ZINC000765170455 580136667 /nfs/dbraw/zinc/13/66/67/580136667.db2.gz QRYHFYFMMQXAGD-UHFFFAOYSA-N -1 1 332.353 1.829 20 5 EDBDMM Cn1ncc2c1CCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768806191 580220733 /nfs/dbraw/zinc/22/07/33/580220733.db2.gz SJOXMMAZSMKZGD-JTQLQIEISA-N -1 1 342.402 1.746 20 5 EDBDMM O=C(OCc1cc(=O)n2ccccc2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769047499 580226356 /nfs/dbraw/zinc/22/63/56/580226356.db2.gz JPEXTFDXJWZNIM-UHFFFAOYSA-N -1 1 341.279 1.665 20 5 EDBDMM COC(=O)c1cccc(COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1 ZINC000773447107 580337544 /nfs/dbraw/zinc/33/75/44/580337544.db2.gz CKSOLYOOZPXPFM-UHFFFAOYSA-N -1 1 332.268 1.839 20 5 EDBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000780067398 580510934 /nfs/dbraw/zinc/51/09/34/580510934.db2.gz GIYGXLLVJALZSA-ZANVPECISA-N -1 1 338.316 1.141 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)C2CCOCC2)c([N+](=O)[O-])n1 ZINC000785397118 580642204 /nfs/dbraw/zinc/64/22/04/580642204.db2.gz GMXMNFVEBBTWBK-UHFFFAOYSA-N -1 1 346.409 1.295 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCCO2)cc1F ZINC000866943094 591363962 /nfs/dbraw/zinc/36/39/62/591363962.db2.gz CZVLGVYVLHNYIJ-CYBMUJFWSA-N -1 1 332.353 1.890 20 5 EDBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1O ZINC000768845715 593442412 /nfs/dbraw/zinc/44/24/12/593442412.db2.gz FTDBDGNRQFYUGT-UHFFFAOYSA-N -1 1 344.370 1.849 20 5 EDBDMM Cn1cnc([N-]C(=O)c2cc(F)cc([N+](=O)[O-])c2Br)n1 ZINC000817149253 593576958 /nfs/dbraw/zinc/57/69/58/593576958.db2.gz IIEAZGJASRYKTM-UHFFFAOYSA-N -1 1 344.100 1.877 20 5 EDBDMM COC(=O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821655438 593899318 /nfs/dbraw/zinc/89/93/18/593899318.db2.gz LKFXHNYNKQBGME-UHFFFAOYSA-N -1 1 332.320 1.164 20 5 EDBDMM CC(C)[C@H](O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824198781 593953614 /nfs/dbraw/zinc/95/36/14/593953614.db2.gz DTIJXOTUZVKGPI-NSHDSACASA-N -1 1 333.352 1.379 20 5 EDBDMM CC(C)[C@H](O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824198781 593953616 /nfs/dbraw/zinc/95/36/16/593953616.db2.gz DTIJXOTUZVKGPI-NSHDSACASA-N -1 1 333.352 1.379 20 5 EDBDMM CCCN(CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000821094089 593964055 /nfs/dbraw/zinc/96/40/55/593964055.db2.gz CTJZBBDSIGYATL-UHFFFAOYSA-N -1 1 340.365 1.196 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000824453285 594015557 /nfs/dbraw/zinc/01/55/57/594015557.db2.gz JNGCHMMIRIXCLW-MRVPVSSYSA-N -1 1 325.325 1.266 20 5 EDBDMM Cc1nc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1[N+](=O)[O-] ZINC000822449662 594050443 /nfs/dbraw/zinc/05/04/43/594050443.db2.gz JCPCKWFBEOQQGZ-UHFFFAOYSA-N -1 1 326.276 1.126 20 5 EDBDMM Cc1nc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1[N+](=O)[O-] ZINC000822449662 594050444 /nfs/dbraw/zinc/05/04/44/594050444.db2.gz JCPCKWFBEOQQGZ-UHFFFAOYSA-N -1 1 326.276 1.126 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(Oc2ccccc2)C1 ZINC000823614987 594221471 /nfs/dbraw/zinc/22/14/71/594221471.db2.gz WNQMYUUKCOSTBI-UHFFFAOYSA-N -1 1 339.315 1.438 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(Oc2ccccc2)C1 ZINC000823614987 594221472 /nfs/dbraw/zinc/22/14/72/594221472.db2.gz WNQMYUUKCOSTBI-UHFFFAOYSA-N -1 1 339.315 1.438 20 5 EDBDMM O=[N+]([O-])c1cc(N2CCC3(CC2)OCCO3)ccc1-c1nn[n-]n1 ZINC000823634479 594223260 /nfs/dbraw/zinc/22/32/60/594223260.db2.gz HEDPOGLHOVOKEZ-UHFFFAOYSA-N -1 1 332.320 1.118 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])[n-]1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826473986 594491201 /nfs/dbraw/zinc/49/12/01/594491201.db2.gz WIWCHEAGHZSLFD-UHFFFAOYSA-N -1 1 325.288 1.306 20 5 EDBDMM O=[N+]([O-])c1ccc(-n2cnc(-c3nn[n-]n3)n2)nc1-c1ccccc1 ZINC000826498238 594502995 /nfs/dbraw/zinc/50/29/95/594502995.db2.gz MMGXQHDQSUCTJM-UHFFFAOYSA-N -1 1 335.287 1.418 20 5 EDBDMM C[N@@H+]1CCC[C@@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000841548054 594920576 /nfs/dbraw/zinc/92/05/76/594920576.db2.gz DRQGFTNRALFRQE-NSHDSACASA-N -1 1 345.396 1.744 20 5 EDBDMM O=C([O-])N1CC[C@@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000834078901 595008142 /nfs/dbraw/zinc/00/81/42/595008142.db2.gz WHRYZUGSUAPXNR-QMMMGPOBSA-N -1 1 347.324 1.012 20 5 EDBDMM CCc1nnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000848585952 595410258 /nfs/dbraw/zinc/41/02/58/595410258.db2.gz QBQIISTWQHAXON-UHFFFAOYSA-N -1 1 342.258 1.828 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC(O)(C1CC1)C1CC1 ZINC000849469223 595543250 /nfs/dbraw/zinc/54/32/50/595543250.db2.gz RLEXVLFYOHBVKC-UHFFFAOYSA-N -1 1 344.364 1.563 20 5 EDBDMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000855133080 595606661 /nfs/dbraw/zinc/60/66/61/595606661.db2.gz PTIAKZZUCFEGAX-UHFFFAOYSA-N -1 1 346.286 1.805 20 5 EDBDMM O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000855782460 595820540 /nfs/dbraw/zinc/82/05/40/595820540.db2.gz JFSIDZFPPGUIDJ-SKDRFNHKSA-N -1 1 329.259 1.240 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000130766368 597623604 /nfs/dbraw/zinc/62/36/04/597623604.db2.gz LLITVDZCSXOTIZ-UHFFFAOYSA-N -1 1 337.292 1.806 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000130766368 597623607 /nfs/dbraw/zinc/62/36/07/597623607.db2.gz LLITVDZCSXOTIZ-UHFFFAOYSA-N -1 1 337.292 1.806 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000129758890 597997443 /nfs/dbraw/zinc/99/74/43/597997443.db2.gz XTNRKEQTJUUCSD-UHFFFAOYSA-N -1 1 344.283 1.802 20 5 EDBDMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738812184 602531976 /nfs/dbraw/zinc/53/19/76/602531976.db2.gz PLKJIWBKPZGYHP-SECBINFHSA-N -1 1 349.347 1.883 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])no1 ZINC000558769214 306246774 /nfs/dbraw/zinc/24/67/74/306246774.db2.gz MSHGJDHDORFCDO-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM C[C@H](CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)OC(C)(C)C ZINC000412419840 304006125 /nfs/dbraw/zinc/00/61/25/304006125.db2.gz GAWURIYBGJQXMW-SECBINFHSA-N -1 1 339.348 1.745 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCn2cnnc2C2CC2)s1 ZINC000132451388 138377447 /nfs/dbraw/zinc/37/74/47/138377447.db2.gz LOKPJYGNWWBHES-UHFFFAOYSA-N -1 1 343.390 1.104 20 5 EDBDMM O=C(c1cncc([O-])c1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171910087 227358200 /nfs/dbraw/zinc/35/82/00/227358200.db2.gz VNJGJQMPDBRAOI-UHFFFAOYSA-N -1 1 328.328 1.658 20 5 EDBDMM CO[C@@](C)([C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000567360604 306448885 /nfs/dbraw/zinc/44/88/85/306448885.db2.gz YYCCASQNXPVOMU-ZANVPECISA-N -1 1 329.378 1.472 20 5 EDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000152827092 224016388 /nfs/dbraw/zinc/01/63/88/224016388.db2.gz ZOFZTMIHIYDHTQ-UHFFFAOYSA-N -1 1 332.288 1.048 20 5 EDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263371348 139338496 /nfs/dbraw/zinc/33/84/96/139338496.db2.gz VLTVMMOWIINKEX-WOPDTQHZSA-N -1 1 335.360 1.964 20 5 EDBDMM CCOC(=O)c1ccc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)c([O-])c1 ZINC000270994415 140216122 /nfs/dbraw/zinc/21/61/22/140216122.db2.gz XGOFKHRAWZGFHL-UHFFFAOYSA-N -1 1 348.315 1.771 20 5 EDBDMM NC(=O)c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)n2)c[nH]1 ZINC000354938043 150042044 /nfs/dbraw/zinc/04/20/44/150042044.db2.gz MKPSKQVJXLGIAU-UHFFFAOYSA-N -1 1 346.328 1.726 20 5 EDBDMM Cn1[nH]c(-c2ccccc2)nc1=NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360587565 152110635 /nfs/dbraw/zinc/11/06/35/152110635.db2.gz CNQZKWSWVMMCNK-UHFFFAOYSA-N -1 1 340.299 1.165 20 5 EDBDMM O=C(NCc1cccc(-n2ccnc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360616050 152124020 /nfs/dbraw/zinc/12/40/20/152124020.db2.gz UBBIZGQYGFKRGT-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM O=C(N[C@@H]1CCN(c2cccnc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369342260 154983740 /nfs/dbraw/zinc/98/37/40/154983740.db2.gz HXIDQVFAKNDEDP-LLVKDONJSA-N -1 1 329.316 1.099 20 5 EDBDMM Cc1ccnc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000365199968 162355909 /nfs/dbraw/zinc/35/59/09/162355909.db2.gz PKOHLYYEWAHRQJ-UHFFFAOYSA-N -1 1 343.343 1.814 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000164075478 226043084 /nfs/dbraw/zinc/04/30/84/226043084.db2.gz ZRQCRIVKXOGWCD-VXGBXAGGSA-N -1 1 337.376 1.530 20 5 EDBDMM COCCCN(Cc1ccncc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274880394 273098465 /nfs/dbraw/zinc/09/84/65/273098465.db2.gz CMKWXWMTKFEQEU-UHFFFAOYSA-N -1 1 346.343 1.769 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000281465710 273477577 /nfs/dbraw/zinc/47/75/77/273477577.db2.gz IUVRXHCQPGVEMT-VIFPVBQESA-N -1 1 345.352 1.023 20 5 EDBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[n-]1 ZINC000156504293 287672654 /nfs/dbraw/zinc/67/26/54/287672654.db2.gz SQPAVGWHSOLEQX-UHFFFAOYSA-N -1 1 338.323 1.804 20 5 EDBDMM O=c1nc([C@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)[nH][n-]1 ZINC000291995765 289234954 /nfs/dbraw/zinc/23/49/54/289234954.db2.gz QXBBUOIEZGCRLE-JTQLQIEISA-N -1 1 340.343 1.938 20 5 EDBDMM O=C(CC1CCCC1)NCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445188418 305257690 /nfs/dbraw/zinc/25/76/90/305257690.db2.gz RGKQEOBMRAFYJS-UHFFFAOYSA-N -1 1 336.348 1.122 20 5 EDBDMM COC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000025078427 441329688 /nfs/dbraw/zinc/32/96/88/441329688.db2.gz UIULDHRHUNHWOL-UHFFFAOYSA-N -1 1 345.311 1.042 20 5 EDBDMM O=C(CCn1cc([N+](=O)[O-])cn1)NCc1n[n-]c(=S)n1C1CC1 ZINC000066637867 441555865 /nfs/dbraw/zinc/55/58/65/441555865.db2.gz AHJLCJVLHHIYSB-UHFFFAOYSA-N -1 1 337.365 1.087 20 5 EDBDMM Cc1n[nH]c(C(=O)NCc2n[n-]c(=S)n2C(C)C)c1[N+](=O)[O-] ZINC000066639642 441556155 /nfs/dbraw/zinc/55/61/55/441556155.db2.gz DQYKIRZIMCNISL-UHFFFAOYSA-N -1 1 325.354 1.391 20 5 EDBDMM CC(C)CN1CCO[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000178450016 442435016 /nfs/dbraw/zinc/43/50/16/442435016.db2.gz WHFAXCQXVQGQQQ-GFCCVEGCSA-N -1 1 337.376 1.387 20 5 EDBDMM Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000193332807 442733637 /nfs/dbraw/zinc/73/36/37/442733637.db2.gz PKRKNQQLLSBNFG-UHFFFAOYSA-N -1 1 348.340 1.874 20 5 EDBDMM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000193677480 442766399 /nfs/dbraw/zinc/76/63/99/442766399.db2.gz JBGRRXVOWWNOCY-LYSPQLLHSA-N -1 1 341.389 1.505 20 5 EDBDMM CCC[C@@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nn[n-]n1 ZINC000268181706 442887479 /nfs/dbraw/zinc/88/74/79/442887479.db2.gz LLRNKSXXOGUYGG-SECBINFHSA-N -1 1 329.320 1.860 20 5 EDBDMM O=C(NCCCOC1CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000266533904 443159586 /nfs/dbraw/zinc/15/95/86/443159586.db2.gz KXQVTHFIGXOFAC-UHFFFAOYSA-N -1 1 325.321 1.011 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000545926610 320805514 /nfs/dbraw/zinc/80/55/14/320805514.db2.gz JGHOQSJWTDJFHB-GXTWGEPZSA-N -1 1 341.389 1.473 20 5 EDBDMM CC(C)Oc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccn1 ZINC000278103860 444096338 /nfs/dbraw/zinc/09/63/38/444096338.db2.gz RAYHLHHGTDAOCE-UHFFFAOYSA-N -1 1 332.316 1.808 20 5 EDBDMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000296069959 444202903 /nfs/dbraw/zinc/20/29/03/444202903.db2.gz OMSGFRCIEITQBA-UHFFFAOYSA-N -1 1 345.377 1.074 20 5 EDBDMM CCOC(=O)C[C@H](C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000340606271 444457827 /nfs/dbraw/zinc/45/78/27/444457827.db2.gz ILBJYHORFSXNQB-QMMMGPOBSA-N -1 1 336.391 1.524 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccccn2)CCC1 ZINC000580415349 322047474 /nfs/dbraw/zinc/04/74/74/322047474.db2.gz YJDXVZVDDFAXMF-UHFFFAOYSA-N -1 1 348.384 1.785 20 5 EDBDMM NC(=O)[C@@H]1CCO[C@H]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339176877 445074422 /nfs/dbraw/zinc/07/44/22/445074422.db2.gz UMOOGEIEJDHGJH-ZBFHGGJFSA-N -1 1 349.387 1.403 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](N2CCCCC2=O)C1 ZINC000369250615 446023681 /nfs/dbraw/zinc/02/36/81/446023681.db2.gz QAKFXAOEFLVEJY-LLVKDONJSA-N -1 1 348.359 1.313 20 5 EDBDMM CN(CC(=O)Nc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361913599 446061700 /nfs/dbraw/zinc/06/17/00/446061700.db2.gz XPDDWKDQHJILEG-UHFFFAOYSA-N -1 1 330.300 1.406 20 5 EDBDMM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000359424450 446216578 /nfs/dbraw/zinc/21/65/78/446216578.db2.gz NIZMDFGOMBGBIN-UHFFFAOYSA-N -1 1 347.356 1.359 20 5 EDBDMM COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC12CCC2 ZINC000365794053 446346366 /nfs/dbraw/zinc/34/63/66/446346366.db2.gz IBJOTGYEMUYRDQ-LLVKDONJSA-N -1 1 335.316 1.111 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375616696 446927116 /nfs/dbraw/zinc/92/71/16/446927116.db2.gz IUPJOLJNZZIRLX-PSVAKVPMSA-N -1 1 332.765 1.419 20 5 EDBDMM Cc1noc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000416470916 447614462 /nfs/dbraw/zinc/61/44/62/447614462.db2.gz NVWWBDDOHJPWBQ-UHFFFAOYSA-N -1 1 326.334 1.382 20 5 EDBDMM COCC1(C(=O)[O-])CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000575995804 447946520 /nfs/dbraw/zinc/94/65/20/447946520.db2.gz YBGKIAJRQQBILZ-UHFFFAOYSA-N -1 1 338.360 1.917 20 5 EDBDMM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525187040 447975548 /nfs/dbraw/zinc/97/55/48/447975548.db2.gz JVEOUXQKJKOIRH-ZETCQYMHSA-N -1 1 343.283 1.236 20 5 EDBDMM O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793318 448315466 /nfs/dbraw/zinc/31/54/66/448315466.db2.gz SLZZXOBBMWPVJN-NSHDSACASA-N -1 1 345.363 1.316 20 5 EDBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000532793220 448316340 /nfs/dbraw/zinc/31/63/40/448316340.db2.gz WNCKEWYVAAATTI-JTQLQIEISA-N -1 1 348.388 1.606 20 5 EDBDMM O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000539324365 448608623 /nfs/dbraw/zinc/60/86/23/448608623.db2.gz CKFRVQGJNKNGLI-VIFPVBQESA-N -1 1 341.331 1.609 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@]2(CCSC2)C1 ZINC000575126792 449041980 /nfs/dbraw/zinc/04/19/80/449041980.db2.gz RFWMVTRLVLGSRY-ZDUSSCGKSA-N -1 1 325.346 1.044 20 5 EDBDMM CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593889803 449266519 /nfs/dbraw/zinc/26/65/19/449266519.db2.gz KCQKCDOMEPMZLM-SNVBAGLBSA-N -1 1 339.348 1.888 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000600486101 449405458 /nfs/dbraw/zinc/40/54/58/449405458.db2.gz BZUTZKJBHRJFSI-JTQLQIEISA-N -1 1 331.288 1.168 20 5 EDBDMM CC(C)Cc1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000600668289 449481995 /nfs/dbraw/zinc/48/19/95/449481995.db2.gz MOPWXWNQZLSJMI-UHFFFAOYSA-N -1 1 328.354 1.051 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](COC)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000594478516 449544199 /nfs/dbraw/zinc/54/41/99/449544199.db2.gz ILBDTKQITDZZGD-JTQLQIEISA-N -1 1 348.425 1.541 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594485664 449549928 /nfs/dbraw/zinc/54/99/28/449549928.db2.gz BIRBQHKPMJTECK-WDEREUQCSA-N -1 1 329.378 1.616 20 5 EDBDMM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594760468 449674416 /nfs/dbraw/zinc/67/44/16/449674416.db2.gz SJAJVOJVILICHS-SECBINFHSA-N -1 1 325.350 1.071 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])n1 ZINC000594851780 449760125 /nfs/dbraw/zinc/76/01/25/449760125.db2.gz CITRXLRAYPSTRH-GARJFASQSA-N -1 1 328.394 1.526 20 5 EDBDMM COC(=O)[C@](C)([N-]S(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599487648 450016221 /nfs/dbraw/zinc/01/62/21/450016221.db2.gz TUHREZLJADDIDW-CQSZACIVSA-N -1 1 342.373 1.312 20 5 EDBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])Oc1ccccc1 ZINC000610263708 450174927 /nfs/dbraw/zinc/17/49/27/450174927.db2.gz CEVPYWYZYISZAK-NSHDSACASA-N -1 1 337.357 1.736 20 5 EDBDMM O=[N+]([O-])c1cnc(C(F)(F)C(F)(F)F)cc1NCc1nn[n-]n1 ZINC000618584236 450253328 /nfs/dbraw/zinc/25/33/28/450253328.db2.gz SEAGSHUHJNTRBB-UHFFFAOYSA-N -1 1 339.184 1.769 20 5 EDBDMM Cc1noc([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000186992839 534477372 /nfs/dbraw/zinc/47/73/72/534477372.db2.gz KOJCUEOTEPKCCA-VIFPVBQESA-N -1 1 333.304 1.407 20 5 EDBDMM CN(CCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000097130705 536337882 /nfs/dbraw/zinc/33/78/82/536337882.db2.gz LFIAFDBGRRUHAK-UHFFFAOYSA-N -1 1 344.371 1.930 20 5 EDBDMM COc1ccc(O)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000729535742 578580782 /nfs/dbraw/zinc/58/07/82/578580782.db2.gz USANEOYNGCZHTL-QMMMGPOBSA-N -1 1 333.300 1.901 20 5 EDBDMM COCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000737814848 579130913 /nfs/dbraw/zinc/13/09/13/579130913.db2.gz LDFPMDVAHKAANX-DIECRNLCSA-N -1 1 349.387 1.850 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000777982134 580454243 /nfs/dbraw/zinc/45/42/43/580454243.db2.gz LVFNWOOUDTUCMO-SSDOTTSWSA-N -1 1 344.324 1.773 20 5 EDBDMM Nc1c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cccc1[N+](=O)[O-] ZINC000758967802 579995427 /nfs/dbraw/zinc/99/54/27/579995427.db2.gz XEOKNUOVKJLRKZ-UHFFFAOYSA-N -1 1 343.295 1.290 20 5 EDBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000765733507 580150139 /nfs/dbraw/zinc/15/01/39/580150139.db2.gz CORXPVCVYNBRLI-UHFFFAOYSA-N -1 1 330.753 1.460 20 5 EDBDMM O=C(N[C@@H]1CC[C@H]2SCCS[C@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770683192 580267606 /nfs/dbraw/zinc/26/76/06/580267606.db2.gz SRAJGEXJRFMRON-FBIMIBRVSA-N -1 1 341.414 1.805 20 5 EDBDMM Cn1[n-]c(COC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])nc1=O ZINC000790744059 580777851 /nfs/dbraw/zinc/77/78/51/580777851.db2.gz PWYCVGRRIDXYRM-UHFFFAOYSA-N -1 1 344.686 1.095 20 5 EDBDMM COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000028813110 593066938 /nfs/dbraw/zinc/06/69/38/593066938.db2.gz TZHDGSIDIMMPOJ-UHFFFAOYSA-N -1 1 335.291 1.703 20 5 EDBDMM Cc1nn(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811785915 593481976 /nfs/dbraw/zinc/48/19/76/593481976.db2.gz KDJTWRTYLCSBBO-JTQLQIEISA-N -1 1 349.313 1.448 20 5 EDBDMM CC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815016261 593609588 /nfs/dbraw/zinc/60/95/88/593609588.db2.gz DFOZKSXAIKLRNJ-ZCFIWIBFSA-N -1 1 326.733 1.437 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cn2ccsc2n1 ZINC000823625615 594222492 /nfs/dbraw/zinc/22/24/92/594222492.db2.gz ZYUAGJDWKMCPOQ-UHFFFAOYSA-N -1 1 343.332 1.491 20 5 EDBDMM C[C@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C(=O)[O-] ZINC000828466016 594428121 /nfs/dbraw/zinc/42/81/21/594428121.db2.gz ZZZAVXLPGJACFL-CABZTGNLSA-N -1 1 332.316 1.797 20 5 EDBDMM Cc1noc(C)c1[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826338823 594432887 /nfs/dbraw/zinc/43/28/87/594432887.db2.gz JBEVSWPPOMLPJZ-ZETCQYMHSA-N -1 1 344.335 1.990 20 5 EDBDMM Cc1noc(C)c1[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826338823 594432892 /nfs/dbraw/zinc/43/28/92/594432892.db2.gz JBEVSWPPOMLPJZ-ZETCQYMHSA-N -1 1 344.335 1.990 20 5 EDBDMM CCCc1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949356 594608324 /nfs/dbraw/zinc/60/83/24/594608324.db2.gz MESJSMFBMAFGPN-QMMMGPOBSA-N -1 1 325.325 1.095 20 5 EDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000827369286 594665756 /nfs/dbraw/zinc/66/57/56/594665756.db2.gz UBNARBGQLASNOX-GFCCVEGCSA-N -1 1 335.360 1.145 20 5 EDBDMM Cc1c(NC(=O)CCN2CC[C@@](F)(C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857693 594781418 /nfs/dbraw/zinc/78/14/18/594781418.db2.gz VIIFZKYTQYFCTK-HNNXBMFYSA-N -1 1 339.323 1.730 20 5 EDBDMM C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H](C)O1 ZINC000841560558 594923011 /nfs/dbraw/zinc/92/30/11/594923011.db2.gz OYCRAOBCFPSRBQ-OPRDCNLKSA-N -1 1 332.353 1.826 20 5 EDBDMM O=C([O-])N1CC[C@@H](N(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834081049 595008660 /nfs/dbraw/zinc/00/86/60/595008660.db2.gz DBLYRVAEQGXJJG-HUUCEWRRSA-N -1 1 335.360 1.845 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000867310738 595232327 /nfs/dbraw/zinc/23/23/27/595232327.db2.gz BUUFAKQFYVGBKI-LBPRGKRZSA-N -1 1 332.353 1.746 20 5 EDBDMM O=C([O-])C1=CC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000853068438 595653593 /nfs/dbraw/zinc/65/35/93/595653593.db2.gz AWRXRTDOYPDPLN-MRVPVSSYSA-N -1 1 330.293 1.186 20 5 EDBDMM Nc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1[N+](=O)[O-] ZINC000918724811 697203276 /nfs/dbraw/zinc/20/32/76/697203276.db2.gz CVLJLRHXUOVTPJ-UHFFFAOYSA-N -1 1 349.324 1.648 20 5 EDBDMM O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000248844265 139177318 /nfs/dbraw/zinc/17/73/18/139177318.db2.gz SJOHTYWFKVXGTA-CYZMBNFOSA-N -1 1 333.344 1.773 20 5 EDBDMM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416621116 251087204 /nfs/dbraw/zinc/08/72/04/251087204.db2.gz JUXZTWJVJDREBB-MRVPVSSYSA-N -1 1 349.796 1.440 20 5 EDBDMM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000263033522 139318914 /nfs/dbraw/zinc/31/89/14/139318914.db2.gz MXMTXMHUWZWBKH-UWVGGRQHSA-N -1 1 348.315 1.175 20 5 EDBDMM Cc1ccoc1C(=O)NCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000265811617 139506869 /nfs/dbraw/zinc/50/68/69/139506869.db2.gz PTTRFKQNGRETGU-UHFFFAOYSA-N -1 1 348.315 1.147 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000332311416 141160623 /nfs/dbraw/zinc/16/06/23/141160623.db2.gz MBZLATQDSLFRFX-GXTWGEPZSA-N -1 1 335.360 1.709 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2c[nH]c(=O)cc2C)c([N+](=O)[O-])n1 ZINC000339688689 142120294 /nfs/dbraw/zinc/12/02/94/142120294.db2.gz RESANDRRWQHLMN-UHFFFAOYSA-N -1 1 327.322 1.021 20 5 EDBDMM O=C([O-])c1c(NS(=O)(=O)CCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000572885547 306602778 /nfs/dbraw/zinc/60/27/78/306602778.db2.gz FMWNKWZSKINTEM-UHFFFAOYSA-N -1 1 342.251 1.987 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@](C)(OC)C2CC2)c([N+](=O)[O-])n1 ZINC000416603181 304336771 /nfs/dbraw/zinc/33/67/71/304336771.db2.gz SPGIBJGMXWQDTI-RNCFNFMXSA-N -1 1 346.409 1.293 20 5 EDBDMM Cc1ccnc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000364004372 153120327 /nfs/dbraw/zinc/12/03/27/153120327.db2.gz WBOBULAUQMPSKW-UHFFFAOYSA-N -1 1 343.343 1.814 20 5 EDBDMM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285192356 274479953 /nfs/dbraw/zinc/47/99/53/274479953.db2.gz DWSIVPNAMWDNCY-LBPRGKRZSA-N -1 1 339.377 1.399 20 5 EDBDMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000285330415 274512347 /nfs/dbraw/zinc/51/23/47/274512347.db2.gz UKNRMNDILDWZGT-SSDOTTSWSA-N -1 1 335.769 1.467 20 5 EDBDMM O=C(NC[C@]1(CO)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290799182 288955214 /nfs/dbraw/zinc/95/52/14/288955214.db2.gz DOJBUEXFNNTCFT-PBHICJAKSA-N -1 1 343.339 1.591 20 5 EDBDMM CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000294583484 303127215 /nfs/dbraw/zinc/12/72/15/303127215.db2.gz FOMUZHOTWZRUHN-LBPRGKRZSA-N -1 1 348.359 1.072 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccs2)c([N+](=O)[O-])n1 ZINC000435804238 305147554 /nfs/dbraw/zinc/14/75/54/305147554.db2.gz OXRXYTCAIFELLH-UHFFFAOYSA-N -1 1 330.391 1.394 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000532421609 305983757 /nfs/dbraw/zinc/98/37/57/305983757.db2.gz OQODYQJGICKXRZ-IACUBPJLSA-N -1 1 331.353 1.606 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(CO)c(F)c1 ZINC000534565923 306007914 /nfs/dbraw/zinc/00/79/14/306007914.db2.gz YIOJTDCMIYBAJW-UHFFFAOYSA-N -1 1 341.320 1.100 20 5 EDBDMM O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000171113124 442314833 /nfs/dbraw/zinc/31/48/33/442314833.db2.gz DXMODVLFWDXHGN-UHFFFAOYSA-N -1 1 344.205 1.655 20 5 EDBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)c([N+](=O)[O-])c1 ZINC000130795126 442356897 /nfs/dbraw/zinc/35/68/97/442356897.db2.gz VNLZDXJGWGARRK-UHFFFAOYSA-N -1 1 333.329 1.975 20 5 EDBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn[nH]c3c2)c([N+](=O)[O-])c1 ZINC000130795126 442356898 /nfs/dbraw/zinc/35/68/98/442356898.db2.gz VNLZDXJGWGARRK-UHFFFAOYSA-N -1 1 333.329 1.975 20 5 EDBDMM CC(C)[C@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178743715 442472068 /nfs/dbraw/zinc/47/20/68/442472068.db2.gz FZFGMRXMLAVGMU-GFCCVEGCSA-N -1 1 336.797 1.934 20 5 EDBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000193702558 442769562 /nfs/dbraw/zinc/76/95/62/442769562.db2.gz AYLKNOHRHCUBIJ-GXFFZTMASA-N -1 1 331.332 1.615 20 5 EDBDMM C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000182807077 442828975 /nfs/dbraw/zinc/82/89/75/442828975.db2.gz FCELCURQCJHTTI-VIFPVBQESA-N -1 1 334.369 1.809 20 5 EDBDMM CCn1c(SCc2nn[n-]n2)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000269029241 443176869 /nfs/dbraw/zinc/17/68/69/443176869.db2.gz UGFFPVZAQUVJQZ-UHFFFAOYSA-N -1 1 332.349 1.679 20 5 EDBDMM Cc1nc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cs1 ZINC000525697828 320491787 /nfs/dbraw/zinc/49/17/87/320491787.db2.gz LSTXYWZRMQPOES-UHFFFAOYSA-N -1 1 328.375 1.276 20 5 EDBDMM CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276752314 443813449 /nfs/dbraw/zinc/81/34/49/443813449.db2.gz FVKILMJVCQVTHZ-SNVBAGLBSA-N -1 1 337.332 1.642 20 5 EDBDMM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000285270364 443919783 /nfs/dbraw/zinc/91/97/83/443919783.db2.gz DQRLIUYSVSVJEB-ZCFIWIBFSA-N -1 1 329.313 1.200 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000285270364 443919788 /nfs/dbraw/zinc/91/97/88/443919788.db2.gz DQRLIUYSVSVJEB-ZCFIWIBFSA-N -1 1 329.313 1.200 20 5 EDBDMM CC(=O)c1ccc(N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c([N+](=O)[O-])c1 ZINC000285767225 444101222 /nfs/dbraw/zinc/10/12/22/444101222.db2.gz VVEPUUXYFRPLPV-LLVKDONJSA-N -1 1 331.332 1.593 20 5 EDBDMM C[C@@]1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1=O ZINC000289761150 444199835 /nfs/dbraw/zinc/19/98/35/444199835.db2.gz ZEHOPDKYWNAQKX-LLVKDONJSA-N -1 1 334.737 1.232 20 5 EDBDMM CO[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1 ZINC000580785663 322095982 /nfs/dbraw/zinc/09/59/82/322095982.db2.gz JJSHROJOFCARJG-CABZTGNLSA-N -1 1 348.315 1.175 20 5 EDBDMM C[C@@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)NC(=O)NC1=O ZINC000342936930 444953337 /nfs/dbraw/zinc/95/33/37/444953337.db2.gz OQMWNDOKOWEQPC-HNNXBMFYSA-N -1 1 343.299 1.230 20 5 EDBDMM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000341703118 444958653 /nfs/dbraw/zinc/95/86/53/444958653.db2.gz QJCJZKDOLDMBBI-JTQLQIEISA-N -1 1 342.311 1.231 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000339046490 445006972 /nfs/dbraw/zinc/00/69/72/445006972.db2.gz AJRDJXSLCNGWBG-MNOVXSKESA-N -1 1 330.410 1.916 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000339048643 445008914 /nfs/dbraw/zinc/00/89/14/445008914.db2.gz VYSUBVPICDBZDM-LLVKDONJSA-N -1 1 338.389 1.893 20 5 EDBDMM CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339128988 445047082 /nfs/dbraw/zinc/04/70/82/445047082.db2.gz MSEXGTMGDTZKGP-STQMWFEESA-N -1 1 343.405 1.250 20 5 EDBDMM CCC[C@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000362947433 445622115 /nfs/dbraw/zinc/62/21/15/445622115.db2.gz AHOPDRCLZHYLRC-NSHDSACASA-N -1 1 340.290 1.586 20 5 EDBDMM O=C(NCCCOCC1CCOCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361902993 446051764 /nfs/dbraw/zinc/05/17/64/446051764.db2.gz SNGRSSIZGVMXBA-UHFFFAOYSA-N -1 1 339.348 1.259 20 5 EDBDMM Cc1cc(C)n([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000369355751 446098514 /nfs/dbraw/zinc/09/85/14/446098514.db2.gz YLWMZWXROOVFFV-ZDUSSCGKSA-N -1 1 345.359 1.986 20 5 EDBDMM COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000370691768 446389274 /nfs/dbraw/zinc/38/92/74/446389274.db2.gz QLPPULREKZJSRL-MEBBXXQBSA-N -1 1 335.316 1.111 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOc2cccc(F)c2C1 ZINC000374867701 446425281 /nfs/dbraw/zinc/42/52/81/446425281.db2.gz FHCBBIZBVNZZCQ-UHFFFAOYSA-N -1 1 333.275 1.869 20 5 EDBDMM O=C(N[C@H]1COc2cc(F)cc(F)c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377261929 447026702 /nfs/dbraw/zinc/02/67/02/447026702.db2.gz MGMMNAXMMZMDLR-VIFPVBQESA-N -1 1 337.238 1.837 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])n1 ZINC000416613802 447658895 /nfs/dbraw/zinc/65/88/95/447658895.db2.gz GPXIXTUSNBBBIO-VIFPVBQESA-N -1 1 332.382 1.047 20 5 EDBDMM COc1ccc([C@@H](CO)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000458203995 447744649 /nfs/dbraw/zinc/74/46/49/447744649.db2.gz CUWZQBFATRJMIY-GFCCVEGCSA-N -1 1 347.327 1.210 20 5 EDBDMM Cc1nc([C@@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000570335106 447988963 /nfs/dbraw/zinc/98/89/63/447988963.db2.gz QSJLMOMZAIYCNJ-RXMQYKEDSA-N -1 1 325.712 1.871 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CCOC2(CCC2)C1 ZINC000570366493 447994476 /nfs/dbraw/zinc/99/44/76/447994476.db2.gz QMSPNCRGLFYDMM-NSHDSACASA-N -1 1 341.389 1.617 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000525702156 448015660 /nfs/dbraw/zinc/01/56/60/448015660.db2.gz MYJUDTNMOIRVGG-FBIMIBRVSA-N -1 1 327.362 1.082 20 5 EDBDMM CNc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000571278802 448125881 /nfs/dbraw/zinc/12/58/81/448125881.db2.gz NBJYFFJJLPNJSX-SNVBAGLBSA-N -1 1 347.331 1.745 20 5 EDBDMM COc1cc(CN2CCSC[C@H]2CC(=O)[O-])ccc1[N+](=O)[O-] ZINC000573855488 448729860 /nfs/dbraw/zinc/72/98/60/448729860.db2.gz JKWISGMHZVXASR-LLVKDONJSA-N -1 1 326.374 1.996 20 5 EDBDMM C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000587415958 448836913 /nfs/dbraw/zinc/83/69/13/448836913.db2.gz IXMMJNDORVDOEF-HZGVNTEJSA-N -1 1 335.238 1.487 20 5 EDBDMM COC(=O)[C@@]1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[C@@H](C)CC1 ZINC000598100497 449237110 /nfs/dbraw/zinc/23/71/10/449237110.db2.gz SQFLNVWSYXRKAA-AZKDTHOKSA-N -1 1 337.332 1.547 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594486145 449550744 /nfs/dbraw/zinc/55/07/44/449550744.db2.gz DJLJFDLABGCLII-MNOVXSKESA-N -1 1 346.409 1.437 20 5 EDBDMM O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCc1nn[n-]n1 ZINC000612287341 449629448 /nfs/dbraw/zinc/62/94/48/449629448.db2.gz BDMYGTYLNKWJFG-UHFFFAOYSA-N -1 1 328.741 1.170 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2cccc(F)c2)CC1 ZINC000603177314 450115592 /nfs/dbraw/zinc/11/55/92/450115592.db2.gz LARXNEWTRMKIBA-UHFFFAOYSA-N -1 1 346.318 1.797 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccc(O)cc2CC1 ZINC000609921341 450117078 /nfs/dbraw/zinc/11/70/78/450117078.db2.gz KMQVXJBSWNYROA-UHFFFAOYSA-N -1 1 329.312 1.642 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000610337772 450196710 /nfs/dbraw/zinc/19/67/10/450196710.db2.gz VUDGNVUHOOVIMU-OAHLLOKOSA-N -1 1 338.327 1.556 20 5 EDBDMM CN(Cc1nnc2n1CCCCC2)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000603500989 450315960 /nfs/dbraw/zinc/31/59/60/450315960.db2.gz JZSGMCLQQMLBKI-UHFFFAOYSA-N -1 1 346.347 1.286 20 5 EDBDMM O=C([O-])CCN(CC1CC1)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000610844537 450353269 /nfs/dbraw/zinc/35/32/69/450353269.db2.gz WJGYTEACXLBOLF-UHFFFAOYSA-N -1 1 332.316 1.798 20 5 EDBDMM COC(=O)C1=NOC2(C1)CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000788024140 578566229 /nfs/dbraw/zinc/56/62/29/578566229.db2.gz PMSKLEZSIGQQPE-UHFFFAOYSA-N -1 1 349.343 1.584 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])OCC1CC1 ZINC000732219508 578699237 /nfs/dbraw/zinc/69/92/37/578699237.db2.gz SXZUYSQEHWJWDZ-UHFFFAOYSA-N -1 1 348.764 1.480 20 5 EDBDMM COC(=O)c1cc(OS(=O)(=O)c2c[n-]nc2C)ccc1[N+](=O)[O-] ZINC000732670380 578723426 /nfs/dbraw/zinc/72/34/26/578723426.db2.gz ZOCBLJGOFRGPLQ-UHFFFAOYSA-N -1 1 341.301 1.181 20 5 EDBDMM CC[C@@H](O)CN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736925621 579032719 /nfs/dbraw/zinc/03/27/19/579032719.db2.gz BMBAAFIXDUYFFL-YVARQFDVSA-N -1 1 349.387 1.586 20 5 EDBDMM COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000736949924 579034738 /nfs/dbraw/zinc/03/47/38/579034738.db2.gz WDEZDWPWRKZGGH-UHFFFAOYSA-N -1 1 342.271 1.749 20 5 EDBDMM COC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000736949924 579034739 /nfs/dbraw/zinc/03/47/39/579034739.db2.gz WDEZDWPWRKZGGH-UHFFFAOYSA-N -1 1 342.271 1.749 20 5 EDBDMM COCC[N@H+]1CCC[C@@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737006403 579039962 /nfs/dbraw/zinc/03/99/62/579039962.db2.gz IBLDOSIDNPTQSG-GFCCVEGCSA-N -1 1 347.379 1.298 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OC1CCCCC1 ZINC000751978735 579831566 /nfs/dbraw/zinc/83/15/66/579831566.db2.gz YVWLVJALEYRGEW-UHFFFAOYSA-N -1 1 348.402 1.811 20 5 EDBDMM COC(=O)Cc1nc([N-]C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])n[nH]1 ZINC000758498438 579984258 /nfs/dbraw/zinc/98/42/58/579984258.db2.gz WPAYQIBHHUUWTH-UHFFFAOYSA-N -1 1 337.267 1.128 20 5 EDBDMM CC1=CCN(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000762552070 580077296 /nfs/dbraw/zinc/07/72/96/580077296.db2.gz QAWXEVWQFQTQFS-UHFFFAOYSA-N -1 1 343.380 1.664 20 5 EDBDMM CCn1nc(C)c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)c1C ZINC000768836536 580221805 /nfs/dbraw/zinc/22/18/05/580221805.db2.gz CWRSXQZVYXOEAY-UHFFFAOYSA-N -1 1 344.418 1.968 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770260340 580256770 /nfs/dbraw/zinc/25/67/70/580256770.db2.gz SWUPAPHGRWPFFT-UHFFFAOYSA-N -1 1 348.271 1.542 20 5 EDBDMM Cc1sc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000773157191 580328664 /nfs/dbraw/zinc/32/86/64/580328664.db2.gz HYFMYNGWGGPOFH-MRVPVSSYSA-N -1 1 340.390 1.408 20 5 EDBDMM COC(=O)c1coc(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000780066617 580510750 /nfs/dbraw/zinc/51/07/50/580510750.db2.gz AIRGWQPQNFZUCG-UHFFFAOYSA-N -1 1 349.251 1.720 20 5 EDBDMM O=C([O-])c1coc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000785704730 580650682 /nfs/dbraw/zinc/65/06/82/580650682.db2.gz MNCSFWGJKFUZPX-UHFFFAOYSA-N -1 1 332.315 1.426 20 5 EDBDMM O=[N+]([O-])c1ccc(Br)c(OS(=O)(=O)c2c[n-]cn2)c1 ZINC000786904493 580683338 /nfs/dbraw/zinc/68/33/38/580683338.db2.gz IZEVTEDTKKQILI-UHFFFAOYSA-N -1 1 348.134 1.848 20 5 EDBDMM Cc1c(CC(=O)N=c2ccnc3n(C)[n-]cc2-3)cccc1[N+](=O)[O-] ZINC000801701151 581082761 /nfs/dbraw/zinc/08/27/61/581082761.db2.gz ZZTIWTINJDVIRF-UHFFFAOYSA-N -1 1 325.328 1.740 20 5 EDBDMM O=[N+]([O-])c1ccc(CCCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738359583 598854859 /nfs/dbraw/zinc/85/48/59/598854859.db2.gz JWTLIIATRWMFLU-UHFFFAOYSA-N -1 1 340.347 2.000 20 5 EDBDMM O=[N+]([O-])c1ccc(CCCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738359583 598854860 /nfs/dbraw/zinc/85/48/60/598854860.db2.gz JWTLIIATRWMFLU-UHFFFAOYSA-N -1 1 340.347 2.000 20 5 EDBDMM COc1c(O)ccc(C[NH+]2CCC3(CC2)COCCO3)c1[N+](=O)[O-] ZINC000896034762 591326030 /nfs/dbraw/zinc/32/60/30/591326030.db2.gz XBHJCAFYDWRQOC-UHFFFAOYSA-N -1 1 338.360 1.690 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C)CCOCC2)cc1F ZINC000867004097 593268949 /nfs/dbraw/zinc/26/89/49/593268949.db2.gz WDBAHNPYWCAXOS-UHFFFAOYSA-N -1 1 332.353 1.890 20 5 EDBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000820281246 593805856 /nfs/dbraw/zinc/80/58/56/593805856.db2.gz UKVMEMPNJQFPHA-VIFPVBQESA-N -1 1 349.351 1.371 20 5 EDBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000820281246 593805857 /nfs/dbraw/zinc/80/58/57/593805857.db2.gz UKVMEMPNJQFPHA-VIFPVBQESA-N -1 1 349.351 1.371 20 5 EDBDMM CCc1cnc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000821497421 593846566 /nfs/dbraw/zinc/84/65/66/593846566.db2.gz SBMSSPNDCTVEOG-UHFFFAOYSA-N -1 1 346.376 1.825 20 5 EDBDMM CCc1cnc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000821497421 593846568 /nfs/dbraw/zinc/84/65/68/593846568.db2.gz SBMSSPNDCTVEOG-UHFFFAOYSA-N -1 1 346.376 1.825 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H]1c1cccnc1 ZINC000823620895 594222058 /nfs/dbraw/zinc/22/20/58/594222058.db2.gz SDGFEASSKAENJB-LBPRGKRZSA-N -1 1 338.331 1.906 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H]1c1cccnc1 ZINC000823620895 594222059 /nfs/dbraw/zinc/22/20/59/594222059.db2.gz SDGFEASSKAENJB-LBPRGKRZSA-N -1 1 338.331 1.906 20 5 EDBDMM O=c1c(-c2nn[n-]n2)cccn1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000823656978 594225185 /nfs/dbraw/zinc/22/51/85/594225185.db2.gz LBHFUBVXTHLQFB-UHFFFAOYSA-N -1 1 332.707 1.638 20 5 EDBDMM CCc1[nH]nc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])c1[N+](=O)[O-] ZINC000827550128 594230561 /nfs/dbraw/zinc/23/05/61/594230561.db2.gz DBOCDGDMXNYKOR-UHFFFAOYSA-N -1 1 327.341 1.246 20 5 EDBDMM O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826498868 594502603 /nfs/dbraw/zinc/50/26/03/594502603.db2.gz MQTFUHRFJNXGQA-CYBMUJFWSA-N -1 1 326.316 1.920 20 5 EDBDMM O=[N+]([O-])c1ccc(N[C@H](CO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826498868 594502605 /nfs/dbraw/zinc/50/26/05/594502605.db2.gz MQTFUHRFJNXGQA-CYBMUJFWSA-N -1 1 326.316 1.920 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(Cn3ccnc3-c3nnn[n-]3)co2)cc1 ZINC000826498033 594502868 /nfs/dbraw/zinc/50/28/68/594502868.db2.gz DZJNJMLXONEQSZ-UHFFFAOYSA-N -1 1 338.287 1.675 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(Cn3ccnc3-c3nn[n-]n3)co2)cc1 ZINC000826498033 594502869 /nfs/dbraw/zinc/50/28/69/594502869.db2.gz DZJNJMLXONEQSZ-UHFFFAOYSA-N -1 1 338.287 1.675 20 5 EDBDMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832463237 594752146 /nfs/dbraw/zinc/75/21/46/594752146.db2.gz VEQNNKOXEQGOIS-SECBINFHSA-N -1 1 342.352 1.377 20 5 EDBDMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000832560184 594759315 /nfs/dbraw/zinc/75/93/15/594759315.db2.gz WXYACTNLVYZCSV-SECBINFHSA-N -1 1 342.352 1.990 20 5 EDBDMM C[C@@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1CCC(=O)[O-] ZINC000833619407 594887283 /nfs/dbraw/zinc/88/72/83/594887283.db2.gz ASLUBYKBGFUAKE-GFCCVEGCSA-N -1 1 335.360 1.145 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000841524515 594914675 /nfs/dbraw/zinc/91/46/75/594914675.db2.gz NVQKCOJACATEKK-JTQLQIEISA-N -1 1 347.824 1.787 20 5 EDBDMM O=C([O-])NC[C@@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCC1 ZINC000834206364 595052563 /nfs/dbraw/zinc/05/25/63/595052563.db2.gz LNKKKWACLWIBBX-SECBINFHSA-N -1 1 325.325 1.264 20 5 EDBDMM O=C(O[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837582934 595145209 /nfs/dbraw/zinc/14/52/09/595145209.db2.gz JYCCECAXTUUAMI-BIGNPOOSSA-N -1 1 334.328 1.905 20 5 EDBDMM Cc1nnc([C@H](C)[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000848590855 595411639 /nfs/dbraw/zinc/41/16/39/595411639.db2.gz WUQFOFSSVVTHBO-ZETCQYMHSA-N -1 1 341.274 1.870 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@H]2C)cc1F ZINC000867609306 596458276 /nfs/dbraw/zinc/45/82/76/596458276.db2.gz PIUXHEUGGMGLLX-ATZCPNFKSA-N -1 1 332.353 1.887 20 5 EDBDMM CCCN(C(=O)c1n[nH]c(C)c1[N+](=O)[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000739346116 602518307 /nfs/dbraw/zinc/51/83/07/602518307.db2.gz OOHPCFHTNDWMQI-VIFPVBQESA-N -1 1 325.325 1.231 20 5 EDBDMM CC(C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])NC(=O)[O-] ZINC000738795235 602787413 /nfs/dbraw/zinc/78/74/13/602787413.db2.gz VKXQUEVIBBTCBI-VIFPVBQESA-N -1 1 349.340 1.304 20 5 EDBDMM O=C(N[C@H]1COc2ccc(F)cc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000356572433 284251487 /nfs/dbraw/zinc/25/14/87/284251487.db2.gz YBMBMOXRQDZVRS-SNVBAGLBSA-N -1 1 333.275 1.568 20 5 EDBDMM O=C1Cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2N1 ZINC000010063815 211145216 /nfs/dbraw/zinc/14/52/16/211145216.db2.gz OFWRINMJQKQDCP-UHFFFAOYSA-N -1 1 333.325 1.890 20 5 EDBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000262774403 139302682 /nfs/dbraw/zinc/30/26/82/139302682.db2.gz LQOQNPBNUALCIB-UFBFGSQYSA-N -1 1 348.315 1.081 20 5 EDBDMM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263655128 139350201 /nfs/dbraw/zinc/35/02/01/139350201.db2.gz CFDDCEYKOUVPHU-SECBINFHSA-N -1 1 344.780 1.812 20 5 EDBDMM COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000488031290 255040947 /nfs/dbraw/zinc/04/09/47/255040947.db2.gz KWKROEJANKVDJC-UHFFFAOYSA-N -1 1 332.316 1.886 20 5 EDBDMM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000488354897 255043103 /nfs/dbraw/zinc/04/31/03/255043103.db2.gz KHBZHUNFVHGARM-NSHDSACASA-N -1 1 345.359 1.760 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC(CC)(CC)OC)c([N+](=O)[O-])n1 ZINC000490503018 255089995 /nfs/dbraw/zinc/08/99/95/255089995.db2.gz LPAZDAGBZVRKTF-UHFFFAOYSA-N -1 1 334.398 1.295 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H]1COc2ccccc21 ZINC000152912456 533278924 /nfs/dbraw/zinc/27/89/24/533278924.db2.gz FQNADRPODQUCEG-NOZJJQNGSA-N -1 1 329.312 1.990 20 5 EDBDMM COCC[C@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000345984164 143153901 /nfs/dbraw/zinc/15/39/01/143153901.db2.gz ZTDLVKYCOIXQSC-SNVBAGLBSA-N -1 1 335.316 1.666 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000352872093 149198000 /nfs/dbraw/zinc/19/80/00/149198000.db2.gz QGHOWQXAZIREPG-QMMMGPOBSA-N -1 1 326.334 1.467 20 5 EDBDMM O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000363693870 153031364 /nfs/dbraw/zinc/03/13/64/153031364.db2.gz KYVWFLCRCLLTFV-IUODEOHRSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371616324 156030265 /nfs/dbraw/zinc/03/02/65/156030265.db2.gz MTLXRLDICQJLIT-IUODEOHRSA-N -1 1 349.387 1.531 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000277000246 273175455 /nfs/dbraw/zinc/17/54/55/273175455.db2.gz WWDZWZIULRNPPA-JTQLQIEISA-N -1 1 347.824 1.929 20 5 EDBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CCO)c1ccccc1 ZINC000278174193 273252079 /nfs/dbraw/zinc/25/20/79/273252079.db2.gz ZBQCONRKBKZBQM-ZDUSSCGKSA-N -1 1 331.328 1.891 20 5 EDBDMM Cn1nccc1C1=CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000286505107 288021894 /nfs/dbraw/zinc/02/18/94/288021894.db2.gz XLMIJQICSRAHBB-UHFFFAOYSA-N -1 1 329.316 1.358 20 5 EDBDMM COCc1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1F ZINC000171668068 302944704 /nfs/dbraw/zinc/94/47/04/302944704.db2.gz OHYQHMSEKFUMBD-UHFFFAOYSA-N -1 1 335.291 1.911 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)C(F)F ZINC000451703586 305363253 /nfs/dbraw/zinc/36/32/53/305363253.db2.gz BHLDHTWFPAORGC-XRGYYRRGSA-N -1 1 330.334 1.339 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000532096030 305973548 /nfs/dbraw/zinc/97/35/48/305973548.db2.gz JSHWCNDQHYNUJO-QMMMGPOBSA-N -1 1 326.334 1.634 20 5 EDBDMM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000536523383 306021224 /nfs/dbraw/zinc/02/12/24/306021224.db2.gz MLFYFFDTPRTORP-ZYHUDNBSSA-N -1 1 343.405 1.862 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000541870374 306048469 /nfs/dbraw/zinc/04/84/69/306048469.db2.gz CUHTXTGEKIQYFI-UHFFFAOYSA-N -1 1 328.375 1.542 20 5 EDBDMM C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000543171421 306061095 /nfs/dbraw/zinc/06/10/95/306061095.db2.gz IEHSQWNTYLBREQ-WDEREUQCSA-N -1 1 329.378 1.473 20 5 EDBDMM CO[C@]1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000074975660 441484297 /nfs/dbraw/zinc/48/42/97/441484297.db2.gz AMEREWFPUJPNON-GXFFZTMASA-N -1 1 329.378 1.472 20 5 EDBDMM COC(=O)N1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000066002319 441498846 /nfs/dbraw/zinc/49/88/46/441498846.db2.gz OKRLEYDKHWAKKA-UHFFFAOYSA-N -1 1 349.390 1.165 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCCC[C@@H]1O ZINC000121302984 442200581 /nfs/dbraw/zinc/20/05/81/442200581.db2.gz IOAKJMNOYGDOQQ-KOLCDFICSA-N -1 1 332.353 1.563 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O ZINC000121303122 442200973 /nfs/dbraw/zinc/20/09/73/442200973.db2.gz IOAKJMNOYGDOQQ-GXSJLCMTSA-N -1 1 332.353 1.563 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@H]2O)s1 ZINC000178715406 442461556 /nfs/dbraw/zinc/46/15/56/442461556.db2.gz PIJKEOAPXUYMDZ-ZWNOBZJWSA-N -1 1 340.382 1.593 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000187151882 442656751 /nfs/dbraw/zinc/65/67/51/442656751.db2.gz WGTZAYMSVPPUBK-ZETCQYMHSA-N -1 1 335.320 1.867 20 5 EDBDMM CC[N@H+]1CCc2nc(NC(=O)c3c[nH]c(=O)c([N+](=O)[O-])c3)sc2C1 ZINC000193385665 442737819 /nfs/dbraw/zinc/73/78/19/442737819.db2.gz UVOOWYDULYPYFM-UHFFFAOYSA-N -1 1 349.372 1.782 20 5 EDBDMM CN(CCN(C)c1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193563847 442754516 /nfs/dbraw/zinc/75/45/16/442754516.db2.gz VIXHEWVPJZTGRM-UHFFFAOYSA-N -1 1 330.344 1.904 20 5 EDBDMM CC1(C)[C@@H](O)C[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188124869 442714628 /nfs/dbraw/zinc/71/46/28/442714628.db2.gz UARRFEBPERDNIQ-UWVGGRQHSA-N -1 1 334.781 1.686 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000266129866 443028018 /nfs/dbraw/zinc/02/80/18/443028018.db2.gz AUFNFDDLDSPIFB-RKDXNWHRSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000273160730 443553904 /nfs/dbraw/zinc/55/39/04/443553904.db2.gz BKKMYARDTVLQGC-UHFFFAOYSA-N -1 1 348.315 1.200 20 5 EDBDMM CCn1cc([C@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCO2)cn1 ZINC000276851118 443852130 /nfs/dbraw/zinc/85/21/30/443852130.db2.gz ORXOWADCYNLFOE-CYBMUJFWSA-N -1 1 347.331 1.126 20 5 EDBDMM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278088802 444092305 /nfs/dbraw/zinc/09/23/05/444092305.db2.gz HXCAGMSQQKIEAD-MRVPVSSYSA-N -1 1 325.321 1.498 20 5 EDBDMM O=C(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OC1CCCCC1 ZINC000282354986 444155798 /nfs/dbraw/zinc/15/57/98/444155798.db2.gz AUYWJBPKLZYMFD-UHFFFAOYSA-N -1 1 337.332 1.691 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)C1CCCC1 ZINC000289608790 444180435 /nfs/dbraw/zinc/18/04/35/444180435.db2.gz RZRRTTPNDQILQF-LLVKDONJSA-N -1 1 332.353 1.563 20 5 EDBDMM CC(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290769392 444321206 /nfs/dbraw/zinc/32/12/06/444321206.db2.gz OGYPKNSMKMISTH-SECBINFHSA-N -1 1 340.760 1.683 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000340364631 444381440 /nfs/dbraw/zinc/38/14/40/444381440.db2.gz DRSFYBDHRGZLDY-UHFFFAOYSA-N -1 1 347.356 1.359 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000339204296 445087603 /nfs/dbraw/zinc/08/76/03/445087603.db2.gz VLYCFMJLUIVRGI-SECBINFHSA-N -1 1 348.315 1.712 20 5 EDBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(OC)c(OC)c1 ZINC000357333827 445552659 /nfs/dbraw/zinc/55/26/59/445552659.db2.gz ONQCYDFISCFBBS-UHFFFAOYSA-N -1 1 349.299 1.979 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(C)nc(C)c2)c([N+](=O)[O-])n1 ZINC000420694270 446753993 /nfs/dbraw/zinc/75/39/93/446753993.db2.gz AZGGJNBYUJVNDO-UHFFFAOYSA-N -1 1 339.377 1.302 20 5 EDBDMM C[C@@H]1CN(C2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)CCO1 ZINC000368449403 446870236 /nfs/dbraw/zinc/87/02/36/446870236.db2.gz LBEGKBUWBHPWPY-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CSC[C@@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443242792 447012764 /nfs/dbraw/zinc/01/27/64/447012764.db2.gz CFGCJOFPVPBVIJ-VIFPVBQESA-N -1 1 326.421 1.049 20 5 EDBDMM CCC[C@H](NC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000532335530 448239647 /nfs/dbraw/zinc/23/96/47/448239647.db2.gz XMWDUPORVXNLFB-JTQLQIEISA-N -1 1 334.336 1.317 20 5 EDBDMM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000573103985 448544871 /nfs/dbraw/zinc/54/48/71/448544871.db2.gz ISYBBEWMNDLRDS-UHFFFAOYSA-N -1 1 345.421 1.845 20 5 EDBDMM CC1(C)Cc2nc([N-]C(=O)c3ccc([N+](=O)[O-])o3)sc2C(=O)N1 ZINC000593348910 449239031 /nfs/dbraw/zinc/23/90/31/449239031.db2.gz QWJBRWAIIFTZQW-UHFFFAOYSA-N -1 1 336.329 1.961 20 5 EDBDMM CC(C)(CN1CCOCC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000416616764 517398658 /nfs/dbraw/zinc/39/86/58/517398658.db2.gz VPLIHAAETKJUQG-UHFFFAOYSA-N -1 1 349.434 1.045 20 5 EDBDMM C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1CC(C)(C)O ZINC000188725036 524867807 /nfs/dbraw/zinc/86/78/07/524867807.db2.gz CABZPQKESBIRGL-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340284157 536328039 /nfs/dbraw/zinc/32/80/39/536328039.db2.gz LBEMKRZGDFEHFN-UHFFFAOYSA-N -1 1 339.348 1.889 20 5 EDBDMM CNC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000725838303 578287181 /nfs/dbraw/zinc/28/71/81/578287181.db2.gz NLJOFWYYXCSNEK-UHFFFAOYSA-N -1 1 345.352 1.071 20 5 EDBDMM O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])c([O-])c1 ZINC000728697312 578550695 /nfs/dbraw/zinc/55/06/95/578550695.db2.gz NKLJPURQJCMQCH-XYOKQWHBSA-N -1 1 325.280 1.762 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737116804 579049078 /nfs/dbraw/zinc/04/90/78/579049078.db2.gz RGNGXLQOLWJKBC-UHFFFAOYSA-N -1 1 342.271 1.398 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1OC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737116804 579049079 /nfs/dbraw/zinc/04/90/79/579049079.db2.gz RGNGXLQOLWJKBC-UHFFFAOYSA-N -1 1 342.271 1.398 20 5 EDBDMM Cc1c(OC(=O)c2ccc(-c3nnn[n-]3)nc2)cccc1[N+](=O)[O-] ZINC000737220376 579057617 /nfs/dbraw/zinc/05/76/17/579057617.db2.gz VSWGECGVEIRQAT-UHFFFAOYSA-N -1 1 326.272 1.698 20 5 EDBDMM Cc1c(OC(=O)c2ccc(-c3nn[n-]n3)nc2)cccc1[N+](=O)[O-] ZINC000737220376 579057618 /nfs/dbraw/zinc/05/76/18/579057618.db2.gz VSWGECGVEIRQAT-UHFFFAOYSA-N -1 1 326.272 1.698 20 5 EDBDMM Cc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)nc2)c([N+](=O)[O-])c1 ZINC000737364553 579079106 /nfs/dbraw/zinc/07/91/06/579079106.db2.gz LSMFQZQZYMVDHH-UHFFFAOYSA-N -1 1 326.272 1.698 20 5 EDBDMM Cc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)nc2)c([N+](=O)[O-])c1 ZINC000737364553 579079107 /nfs/dbraw/zinc/07/91/07/579079107.db2.gz LSMFQZQZYMVDHH-UHFFFAOYSA-N -1 1 326.272 1.698 20 5 EDBDMM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000751446024 579807404 /nfs/dbraw/zinc/80/74/04/579807404.db2.gz KYIGDPAKKGLVBV-QMMMGPOBSA-N -1 1 332.359 1.570 20 5 EDBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000792521654 580822264 /nfs/dbraw/zinc/82/22/64/580822264.db2.gz HKWCDMHAYDMEAE-QMMMGPOBSA-N -1 1 340.336 1.338 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801701311 581082759 /nfs/dbraw/zinc/08/27/59/581082759.db2.gz IWAPEDNGIPOCCJ-UHFFFAOYSA-N -1 1 327.300 1.511 20 5 EDBDMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])C2)CO1 ZINC000907723557 592771224 /nfs/dbraw/zinc/77/12/24/592771224.db2.gz KOEVTFFPNQDGDW-IPWFMCSPSA-N -1 1 344.364 1.970 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1F ZINC000907759955 592780394 /nfs/dbraw/zinc/78/03/94/592780394.db2.gz JVHAKOWPJQVCKA-DWIZHQHQSA-N -1 1 342.348 1.496 20 5 EDBDMM O=C(NC[C@H]1COc2ccccc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028074348 592782463 /nfs/dbraw/zinc/78/24/63/592782463.db2.gz UBKDVDXLWXOEOF-JTQLQIEISA-N -1 1 329.312 1.264 20 5 EDBDMM CCc1[nH]nc(C(=O)Nc2nnc(CCC(=O)[O-])s2)c1[N+](=O)[O-] ZINC000737247403 593072347 /nfs/dbraw/zinc/07/23/47/593072347.db2.gz IUXILFIMDJEIFH-UHFFFAOYSA-N -1 1 340.321 1.001 20 5 EDBDMM C[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000820666133 593857503 /nfs/dbraw/zinc/85/75/03/593857503.db2.gz HBLWGHJBKGNCGS-RKDXNWHRSA-N -1 1 330.352 1.207 20 5 EDBDMM C[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000820666133 593857505 /nfs/dbraw/zinc/85/75/05/593857505.db2.gz HBLWGHJBKGNCGS-RKDXNWHRSA-N -1 1 330.352 1.207 20 5 EDBDMM COc1ncccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821920283 593966013 /nfs/dbraw/zinc/96/60/13/593966013.db2.gz PHQLPKKXAXRHKJ-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1ncccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821920283 593966016 /nfs/dbraw/zinc/96/60/16/593966016.db2.gz PHQLPKKXAXRHKJ-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM Cc1nn(C)c(C)c1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822491793 594056714 /nfs/dbraw/zinc/05/67/14/594056714.db2.gz FZXQKYOFUUIORH-UHFFFAOYSA-N -1 1 329.324 1.132 20 5 EDBDMM Cc1nn(C)c(C)c1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822491793 594056716 /nfs/dbraw/zinc/05/67/16/594056716.db2.gz FZXQKYOFUUIORH-UHFFFAOYSA-N -1 1 329.324 1.132 20 5 EDBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1-c1nnn[n-]1 ZINC000823066313 594147387 /nfs/dbraw/zinc/14/73/87/594147387.db2.gz UQIJOZREWOCITR-UHFFFAOYSA-N -1 1 346.332 1.229 20 5 EDBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1n[nH]cc1-c1nn[n-]n1 ZINC000823066313 594147389 /nfs/dbraw/zinc/14/73/89/594147389.db2.gz UQIJOZREWOCITR-UHFFFAOYSA-N -1 1 346.332 1.229 20 5 EDBDMM O=[N+]([O-])c1cc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1-c1nn[nH]n1 ZINC000823635491 594223558 /nfs/dbraw/zinc/22/35/58/594223558.db2.gz XWZBIUDBPSOOBW-UHFFFAOYSA-N -1 1 340.347 1.882 20 5 EDBDMM Cc1cc(C(=O)[N-]c2cc(-c3nn[nH]n3)cc([N+](=O)[O-])c2Cl)no1 ZINC000826260364 594401858 /nfs/dbraw/zinc/40/18/58/594401858.db2.gz KQCKELYTFMTNKD-UHFFFAOYSA-N -1 1 349.694 1.977 20 5 EDBDMM C[C@@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(=O)[O-] ZINC000828461950 594426532 /nfs/dbraw/zinc/42/65/32/594426532.db2.gz FRZJYWQPLRFXIW-SKDRFNHKSA-N -1 1 332.316 1.797 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCCOC2CCOCC2)cc1-c1nnn[n-]1 ZINC000826499013 594502566 /nfs/dbraw/zinc/50/25/66/594502566.db2.gz RSBCBCCPRPPKRP-UHFFFAOYSA-N -1 1 348.363 1.773 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCCOC2CCOCC2)cc1-c1nn[n-]n1 ZINC000826499013 594502568 /nfs/dbraw/zinc/50/25/68/594502568.db2.gz RSBCBCCPRPPKRP-UHFFFAOYSA-N -1 1 348.363 1.773 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc2c(c1)COC2 ZINC000826497923 594502620 /nfs/dbraw/zinc/50/26/20/594502620.db2.gz YWSLDVVBBOQJIP-UHFFFAOYSA-N -1 1 325.288 1.944 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc2c(c1)COC2 ZINC000826497923 594502622 /nfs/dbraw/zinc/50/26/22/594502622.db2.gz YWSLDVVBBOQJIP-UHFFFAOYSA-N -1 1 325.288 1.944 20 5 EDBDMM O=[N+]([O-])c1cnc(Sc2ccc(CO)cc2)c(-c2nn[n-]n2)c1 ZINC000826500801 594503616 /nfs/dbraw/zinc/50/36/16/594503616.db2.gz MRNHARPPWUTNOU-UHFFFAOYSA-N -1 1 330.329 1.813 20 5 EDBDMM CN1CCN(C)[C@@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830951092 594521613 /nfs/dbraw/zinc/52/16/13/594521613.db2.gz UCZOMUAVLYMSLY-VIFPVBQESA-N -1 1 342.783 1.604 20 5 EDBDMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000829241760 594586321 /nfs/dbraw/zinc/58/63/21/594586321.db2.gz IJXZGKRYBNSDEP-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM C[C@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC000833618247 594886902 /nfs/dbraw/zinc/88/69/02/594886902.db2.gz MORQDDIPBVYSIS-IRBQFCFKSA-N -1 1 347.371 1.615 20 5 EDBDMM CC(C)[C@@H](CO)O[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000836901016 595012341 /nfs/dbraw/zinc/01/23/41/595012341.db2.gz VLAKTUVCSFCLPM-GFCCVEGCSA-N -1 1 334.731 1.995 20 5 EDBDMM O=C([O-])[C@@]1(C(F)(F)F)CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000846277380 595194980 /nfs/dbraw/zinc/19/49/80/595194980.db2.gz HABMHFFLPHHESK-WCQYABFASA-N -1 1 348.277 1.967 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H](O)C12CCC2 ZINC000849470735 595543649 /nfs/dbraw/zinc/54/36/49/595543649.db2.gz HTIDRLFAQTZFQE-MNOVXSKESA-N -1 1 330.337 1.316 20 5 EDBDMM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867509634 596404312 /nfs/dbraw/zinc/40/43/12/596404312.db2.gz ZCTMWNHFPJBNSZ-MGCOHNPYSA-N -1 1 332.353 1.888 20 5 EDBDMM Cc1ncc(S(=O)(=O)[N-]c2c(C)c([N+](=O)[O-])ccc2F)n1C ZINC000863438486 596584516 /nfs/dbraw/zinc/58/45/16/596584516.db2.gz CMXBHRBULGCQOX-UHFFFAOYSA-N -1 1 328.325 1.885 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CSC2)cc1Cl ZINC000921867907 708730951 /nfs/dbraw/zinc/73/09/51/708730951.db2.gz IEMLUKQRKKWRRA-UHFFFAOYSA-N -1 1 326.758 1.781 20 5 EDBDMM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186993591 236089505 /nfs/dbraw/zinc/08/95/05/236089505.db2.gz YNWIXCVQQDVAGX-MRVPVSSYSA-N -1 1 348.281 1.309 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)s1 ZINC000161066334 138642178 /nfs/dbraw/zinc/64/21/78/138642178.db2.gz FMUOOQSOZUZEMF-NSHDSACASA-N -1 1 342.398 1.538 20 5 EDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cccc(F)c2F)c1 ZINC000152840693 224019844 /nfs/dbraw/zinc/01/98/44/224019844.db2.gz ZFDSEEINCQSXFG-UHFFFAOYSA-N -1 1 332.288 1.048 20 5 EDBDMM C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263710724 139354609 /nfs/dbraw/zinc/35/46/09/139354609.db2.gz PPKJHBHHTYBVNA-VIFPVBQESA-N -1 1 344.780 1.812 20 5 EDBDMM O=C(NCCc1ccc2c[nH]nc2c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000358074777 151260314 /nfs/dbraw/zinc/26/03/14/151260314.db2.gz PLTAEKPFXVBEQX-UHFFFAOYSA-N -1 1 327.300 1.544 20 5 EDBDMM COc1ccc(NC(=O)c2cnc3n(C)[n-]cc-3c2=O)cc1[N+](=O)[O-] ZINC000360736210 152176757 /nfs/dbraw/zinc/17/67/57/152176757.db2.gz GGLMUGYLJIIQON-UHFFFAOYSA-N -1 1 343.299 1.843 20 5 EDBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1 ZINC000361214433 152337465 /nfs/dbraw/zinc/33/74/65/152337465.db2.gz INTCNPBPUHENRP-UHFFFAOYSA-N -1 1 344.327 1.759 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000367895175 154316203 /nfs/dbraw/zinc/31/62/03/154316203.db2.gz GIKUKAKYTDWYSE-SNVBAGLBSA-N -1 1 337.723 1.633 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c[nH]nc3C2)s1 ZINC000374543965 157323974 /nfs/dbraw/zinc/32/39/74/157323974.db2.gz CHOUTRJFQNKAKY-MRVPVSSYSA-N -1 1 328.375 1.215 20 5 EDBDMM CCc1nc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CCO2)n[nH]1 ZINC000274701259 268187269 /nfs/dbraw/zinc/18/72/69/268187269.db2.gz QFVIIOUTZJGFEE-GFCCVEGCSA-N -1 1 347.331 1.195 20 5 EDBDMM O=C([O-])[C@H]1C=C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274936689 268243924 /nfs/dbraw/zinc/24/39/24/268243924.db2.gz DJXMIQYKNFQCEY-YUMQZZPRSA-N -1 1 330.293 1.042 20 5 EDBDMM CC(C)[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275007983 268263009 /nfs/dbraw/zinc/26/30/09/268263009.db2.gz MVFGBHNKTSSMLG-QMMMGPOBSA-N -1 1 334.325 1.369 20 5 EDBDMM Cc1nnc([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000275100311 268280944 /nfs/dbraw/zinc/28/09/44/268280944.db2.gz IQAOKQVHVNJLCJ-VIFPVBQESA-N -1 1 332.320 1.142 20 5 EDBDMM CC(C)(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275099614 268280972 /nfs/dbraw/zinc/28/09/72/268280972.db2.gz QIEILAIPXOFNFH-JTQLQIEISA-N -1 1 334.325 1.512 20 5 EDBDMM COc1cc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc(OC)c1 ZINC000277711859 273220225 /nfs/dbraw/zinc/22/02/25/273220225.db2.gz ITCKQZOTJHWJDY-UHFFFAOYSA-N -1 1 347.327 1.985 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2nccs2)C1 ZINC000277767320 273225318 /nfs/dbraw/zinc/22/53/18/273225318.db2.gz RYWFXKYFYZYIGU-SNVBAGLBSA-N -1 1 336.329 1.366 20 5 EDBDMM COc1ccc2c(c1)OCC[C@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000369793844 277442569 /nfs/dbraw/zinc/44/25/69/277442569.db2.gz LMNNCRGGNIUHOA-CYBMUJFWSA-N -1 1 345.311 1.958 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CC[C@@H](CO)C1 ZINC000295674054 303250601 /nfs/dbraw/zinc/25/06/01/303250601.db2.gz HJVASDHAQFRLHK-BDAKNGLRSA-N -1 1 334.781 1.688 20 5 EDBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])no1 ZINC000443146445 305235943 /nfs/dbraw/zinc/23/59/43/305235943.db2.gz PAJYSPXDCAJXPA-UHFFFAOYSA-N -1 1 340.361 1.754 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000446308429 305263064 /nfs/dbraw/zinc/26/30/64/305263064.db2.gz VTZPPKNLHIGFNP-UHFFFAOYSA-N -1 1 330.348 1.626 20 5 EDBDMM Cc1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c(=O)n1C ZINC000487339242 305548150 /nfs/dbraw/zinc/54/81/50/305548150.db2.gz RNLYNZCGEGFNNM-UHFFFAOYSA-N -1 1 343.386 1.142 20 5 EDBDMM CS(=O)(=O)c1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000532144903 305975064 /nfs/dbraw/zinc/97/50/64/305975064.db2.gz SONXAYACQULGQS-UHFFFAOYSA-N -1 1 339.304 1.785 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1COc2ccc(F)cc21 ZINC000545221429 306082592 /nfs/dbraw/zinc/08/25/92/306082592.db2.gz CPNWIIPTDKPRER-JTQLQIEISA-N -1 1 339.304 1.541 20 5 EDBDMM Cn1cnc([N-]C(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000554456727 306191818 /nfs/dbraw/zinc/19/18/18/306191818.db2.gz UAWGYTDEMNAODN-UHFFFAOYSA-N -1 1 326.110 1.738 20 5 EDBDMM O=C(NCc1noc(C(F)(F)F)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000556783922 306218030 /nfs/dbraw/zinc/21/80/30/306218030.db2.gz IDZRUKFNWCFJKQ-UHFFFAOYSA-N -1 1 333.182 1.027 20 5 EDBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(N)=O ZINC000107311164 441408739 /nfs/dbraw/zinc/40/87/39/441408739.db2.gz UINIZAFEEWNSMW-SNVBAGLBSA-N -1 1 335.769 1.036 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1C=C[C@H](CO)C1 ZINC000124591479 441938189 /nfs/dbraw/zinc/93/81/89/441938189.db2.gz BTERXDLWVKAOQJ-DTWKUNHWSA-N -1 1 332.765 1.464 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC[C@H]1O ZINC000124895962 441963717 /nfs/dbraw/zinc/96/37/17/441963717.db2.gz SNYXRDOFHGSIJM-BXKDBHETSA-N -1 1 334.419 1.876 20 5 EDBDMM C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C[C@H](C)O ZINC000120771224 442130278 /nfs/dbraw/zinc/13/02/78/442130278.db2.gz KBRXLRYAGIEZGD-BDAKNGLRSA-N -1 1 336.797 1.934 20 5 EDBDMM COc1cccc2c1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000192599805 442667413 /nfs/dbraw/zinc/66/74/13/442667413.db2.gz RBCRLNRVNAWLQE-UHFFFAOYSA-N -1 1 343.339 1.945 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2cccs2)CC1 ZINC000193691579 442767729 /nfs/dbraw/zinc/76/77/29/442767729.db2.gz NTPGJXIJXMPBLE-UHFFFAOYSA-N -1 1 334.357 1.719 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCCN2C2CC2)s1 ZINC000434762014 320002812 /nfs/dbraw/zinc/00/28/12/320002812.db2.gz FDYPWPDYBQRGKT-LLVKDONJSA-N -1 1 345.446 1.952 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000281258951 443862271 /nfs/dbraw/zinc/86/22/71/443862271.db2.gz DEDSIKAFKXFGEM-BZPMIXESSA-N -1 1 335.360 1.851 20 5 EDBDMM CCOC(=O)C(CC)(CC)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000570261963 321343072 /nfs/dbraw/zinc/34/30/72/321343072.db2.gz QSKMIPKWOBRGGV-UHFFFAOYSA-N -1 1 345.377 1.390 20 5 EDBDMM O=C(NCCCO[C@@H]1CCCCO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000294854955 444150517 /nfs/dbraw/zinc/15/05/17/444150517.db2.gz IZFFYVBUCMMLJQ-GFCCVEGCSA-N -1 1 325.321 1.359 20 5 EDBDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000322872532 444341422 /nfs/dbraw/zinc/34/14/22/444341422.db2.gz GXSNULUHTRIEHD-UHFFFAOYSA-N -1 1 338.297 1.799 20 5 EDBDMM CC(=O)NC1CCC([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000337909595 444457040 /nfs/dbraw/zinc/45/70/40/444457040.db2.gz GWQFTQMGBIGTTH-UHFFFAOYSA-N -1 1 347.418 1.382 20 5 EDBDMM CS(=O)(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1F ZINC000340546356 444432859 /nfs/dbraw/zinc/43/28/59/444432859.db2.gz QZGGKSATXGWTRJ-UHFFFAOYSA-N -1 1 342.308 1.686 20 5 EDBDMM CCc1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000581886461 322228777 /nfs/dbraw/zinc/22/87/77/322228777.db2.gz FCGJABWLXKUEDZ-UHFFFAOYSA-N -1 1 325.712 1.564 20 5 EDBDMM Cc1sc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000342499043 444718176 /nfs/dbraw/zinc/71/81/76/444718176.db2.gz CQOXYUQVVMOXSR-ZCFIWIBFSA-N -1 1 334.297 1.166 20 5 EDBDMM CO[C@@H]1[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000342993060 444994408 /nfs/dbraw/zinc/99/44/08/444994408.db2.gz WWSRULMEZZSNBS-BKDNQFJXSA-N -1 1 334.419 1.994 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])n1 ZINC000339041865 445004170 /nfs/dbraw/zinc/00/41/70/445004170.db2.gz BMZKMJCKLXQISO-NXEZZACHSA-N -1 1 332.382 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000330831743 445158290 /nfs/dbraw/zinc/15/82/90/445158290.db2.gz HFMMUFWHWWAQEB-GARJFASQSA-N -1 1 330.410 1.914 20 5 EDBDMM CCc1nc([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)no1 ZINC000373100515 446026685 /nfs/dbraw/zinc/02/66/85/446026685.db2.gz SBSAHEJVTXUWJH-SECBINFHSA-N -1 1 347.331 1.661 20 5 EDBDMM COC(=O)c1c(F)ccc([N-]C(=O)c2nn(C)cc2[N+](=O)[O-])c1F ZINC000362266589 446294032 /nfs/dbraw/zinc/29/40/32/446294032.db2.gz FDWSBSVJGMUANZ-UHFFFAOYSA-N -1 1 340.242 1.645 20 5 EDBDMM CO[C@@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000452768458 446465127 /nfs/dbraw/zinc/46/51/27/446465127.db2.gz JBFSHMHREJRDEH-INIZCTEOSA-N -1 1 331.328 1.987 20 5 EDBDMM O=C1CCC[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])N1 ZINC000433446929 446572743 /nfs/dbraw/zinc/57/27/43/446572743.db2.gz JSDGVPSDISATRJ-MRVPVSSYSA-N -1 1 347.780 1.195 20 5 EDBDMM O=C(NC[C@H]1CCC[C@H]1N1CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000376897095 446784250 /nfs/dbraw/zinc/78/42/50/446784250.db2.gz QCFFEDHCLHFBMO-ZIAGYGMSSA-N -1 1 349.387 1.531 20 5 EDBDMM CCc1nc([C@@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000375787700 447048510 /nfs/dbraw/zinc/04/85/10/447048510.db2.gz PGAGOBTWRYGUKO-LBPRGKRZSA-N -1 1 347.331 1.195 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC[C@@H]1O ZINC000533553362 448415643 /nfs/dbraw/zinc/41/56/43/448415643.db2.gz ARXUPZRSEGHPOU-WCQYABFASA-N -1 1 329.378 1.209 20 5 EDBDMM Cc1cccc2nc(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])[nH]c21 ZINC000534289438 448440434 /nfs/dbraw/zinc/44/04/34/448440434.db2.gz VJIBOEBKDRVMEI-UHFFFAOYSA-N -1 1 347.356 1.653 20 5 EDBDMM C[C@@H]1CN(CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000584842996 448653655 /nfs/dbraw/zinc/65/36/55/448653655.db2.gz LIQHXTSNYDWIMQ-GHMZBOCLSA-N -1 1 338.364 1.599 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2c(n1)CCCC2 ZINC000573592260 448666641 /nfs/dbraw/zinc/66/66/41/448666641.db2.gz GBNCJGHJVIWBDR-UHFFFAOYSA-N -1 1 348.384 1.742 20 5 EDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567501260 448704302 /nfs/dbraw/zinc/70/43/02/448704302.db2.gz JYWLTAHPGCTPIZ-UHIISALHSA-N -1 1 335.360 1.964 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2[nH]nc(C(C)C)c2C)c([N+](=O)[O-])n1 ZINC000592385084 448817067 /nfs/dbraw/zinc/81/70/67/448817067.db2.gz QBLVEVAXVLOPDF-UHFFFAOYSA-N -1 1 342.381 1.767 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2ncccc2[O-])CC1 ZINC000589160030 448979275 /nfs/dbraw/zinc/97/92/75/448979275.db2.gz HVRYUAVQRNOOJM-UHFFFAOYSA-N -1 1 348.384 1.715 20 5 EDBDMM COC(=O)[C@@H](CC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592835075 449009982 /nfs/dbraw/zinc/00/99/82/449009982.db2.gz OWUGZCUWLAMPBD-SECBINFHSA-N -1 1 325.321 1.403 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 ZINC000590398822 449147006 /nfs/dbraw/zinc/14/70/06/449147006.db2.gz UGUYWUGHIILQEI-UHFFFAOYSA-N -1 1 328.288 1.770 20 5 EDBDMM Cc1cc(S(=O)(=O)[N-]c2cccn(C)c2=O)c(F)cc1[N+](=O)[O-] ZINC000590598236 449211221 /nfs/dbraw/zinc/21/12/21/449211221.db2.gz UUNHUQMVKHDUAJ-UHFFFAOYSA-N -1 1 341.320 1.542 20 5 EDBDMM O=C(NC[C@@]1(CO)CCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000593899089 449272000 /nfs/dbraw/zinc/27/20/00/449272000.db2.gz YPJPWHRGUHSTGT-QGZVFWFLSA-N -1 1 343.339 1.302 20 5 EDBDMM CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593889802 449266557 /nfs/dbraw/zinc/26/65/57/449266557.db2.gz KCQKCDOMEPMZLM-JTQLQIEISA-N -1 1 339.348 1.888 20 5 EDBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1(CO)CC=CC1 ZINC000594375925 449478749 /nfs/dbraw/zinc/47/87/49/449478749.db2.gz LSKQFXOLVWJOIZ-ZDUSSCGKSA-N -1 1 335.360 1.779 20 5 EDBDMM C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@H]1C(=O)[O-] ZINC000600697907 449499848 /nfs/dbraw/zinc/49/98/48/449499848.db2.gz BPSYLUAYWLJUBG-SMDDNHRTSA-N -1 1 335.360 1.600 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000612174397 449597779 /nfs/dbraw/zinc/59/77/79/449597779.db2.gz ISPIONWMVCONJD-YPMHNXCESA-N -1 1 344.393 1.047 20 5 EDBDMM CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601314120 449823907 /nfs/dbraw/zinc/82/39/07/449823907.db2.gz YXVUUZJFIPVCGJ-LLVKDONJSA-N -1 1 345.396 1.805 20 5 EDBDMM Cn1nc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2ccccc21 ZINC000612777800 449875635 /nfs/dbraw/zinc/87/56/35/449875635.db2.gz SILTZVXTYOGBNC-UHFFFAOYSA-N -1 1 327.300 1.512 20 5 EDBDMM Cc1ccccc1OCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261424 450172707 /nfs/dbraw/zinc/17/27/07/450172707.db2.gz XUWOTTHIVSXCSX-UHFFFAOYSA-N -1 1 337.357 1.656 20 5 EDBDMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000613445558 450183090 /nfs/dbraw/zinc/18/30/90/450183090.db2.gz AOFBBQGYGPPHHT-UHFFFAOYSA-N -1 1 346.318 1.797 20 5 EDBDMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000725826307 578284405 /nfs/dbraw/zinc/28/44/05/578284405.db2.gz BJCSXQWWWJSGEN-UHFFFAOYSA-N -1 1 349.796 1.395 20 5 EDBDMM Cc1[nH]nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000738249272 579177604 /nfs/dbraw/zinc/17/76/04/579177604.db2.gz RMTCOCPNLNAJKB-NSHDSACASA-N -1 1 330.300 1.278 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000739376251 579198055 /nfs/dbraw/zinc/19/80/55/579198055.db2.gz MLUCJWMJWAZFIE-DTORHVGOSA-N -1 1 339.352 1.483 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCNc2ccccc2)c([N+](=O)[O-])n1 ZINC000754807446 579912968 /nfs/dbraw/zinc/91/29/68/579912968.db2.gz CBHFTCZMRZLWAH-UHFFFAOYSA-N -1 1 339.377 1.202 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000757589945 579968538 /nfs/dbraw/zinc/96/85/38/579968538.db2.gz CZJGRVLQJUCHCC-UHFFFAOYSA-N -1 1 341.323 1.947 20 5 EDBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765530151 580145040 /nfs/dbraw/zinc/14/50/40/580145040.db2.gz PPUNSCAFRHSRLF-LLVKDONJSA-N -1 1 334.332 1.329 20 5 EDBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OCc1ccccc1 ZINC000776320173 580414757 /nfs/dbraw/zinc/41/47/57/580414757.db2.gz LGYMMBVMINOITD-UHFFFAOYSA-N -1 1 331.284 1.169 20 5 EDBDMM CCN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000801713351 581083188 /nfs/dbraw/zinc/08/31/88/581083188.db2.gz FUXIHDMTBFHMSU-VIFPVBQESA-N -1 1 347.780 1.147 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1COC[C@@H]1C1CC1 ZINC000908415555 592487466 /nfs/dbraw/zinc/48/74/66/592487466.db2.gz SAGBQPPZEHEBHZ-KOLCDFICSA-N -1 1 346.792 1.952 20 5 EDBDMM C[C@H](O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820479746 593822451 /nfs/dbraw/zinc/82/24/51/593822451.db2.gz BRJHNBYFISTPDN-VIFPVBQESA-N -1 1 341.331 1.835 20 5 EDBDMM C[C@H](O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820479746 593822452 /nfs/dbraw/zinc/82/24/52/593822452.db2.gz BRJHNBYFISTPDN-VIFPVBQESA-N -1 1 341.331 1.835 20 5 EDBDMM CO[C@]1(C)C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821677846 593908504 /nfs/dbraw/zinc/90/85/04/593908504.db2.gz FTVSOYCJIMNWDH-LKFCYVNXSA-N -1 1 333.352 1.785 20 5 EDBDMM CO[C@]1(C)C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821677846 593908505 /nfs/dbraw/zinc/90/85/05/593908505.db2.gz FTVSOYCJIMNWDH-LKFCYVNXSA-N -1 1 333.352 1.785 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)[O-])C[C@@H]2C)c1[N+](=O)[O-] ZINC000824453713 594016225 /nfs/dbraw/zinc/01/62/25/594016225.db2.gz UEBSEPKDOXRELB-QMMMGPOBSA-N -1 1 325.325 1.266 20 5 EDBDMM C[C@@H]1C[C@H](CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824883692 594090185 /nfs/dbraw/zinc/09/01/85/594090185.db2.gz ITZIFXDFGAHVAZ-NXEZZACHSA-N -1 1 333.352 1.787 20 5 EDBDMM C[C@@H]1C[C@H](CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824883692 594090186 /nfs/dbraw/zinc/09/01/86/594090186.db2.gz ITZIFXDFGAHVAZ-NXEZZACHSA-N -1 1 333.352 1.787 20 5 EDBDMM NC(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000822889950 594117544 /nfs/dbraw/zinc/11/75/44/594117544.db2.gz JJGUVETVDOBVKJ-UHFFFAOYSA-N -1 1 327.260 1.061 20 5 EDBDMM NC(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000822889950 594117546 /nfs/dbraw/zinc/11/75/46/594117546.db2.gz JJGUVETVDOBVKJ-UHFFFAOYSA-N -1 1 327.260 1.061 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2ccc(O)cc2C1 ZINC000823620707 594221826 /nfs/dbraw/zinc/22/18/26/594221826.db2.gz OPPZRUNXCIJPFD-UHFFFAOYSA-N -1 1 339.315 1.438 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2ccc(O)cc2C1 ZINC000823620707 594221827 /nfs/dbraw/zinc/22/18/27/594221827.db2.gz OPPZRUNXCIJPFD-UHFFFAOYSA-N -1 1 339.315 1.438 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2sccc2C1 ZINC000823620251 594221975 /nfs/dbraw/zinc/22/19/75/594221975.db2.gz JBUXORJQAJSQLY-UHFFFAOYSA-N -1 1 329.345 1.794 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2sccc2C1 ZINC000823620251 594221976 /nfs/dbraw/zinc/22/19/76/594221976.db2.gz JBUXORJQAJSQLY-UHFFFAOYSA-N -1 1 329.345 1.794 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000826496632 594501263 /nfs/dbraw/zinc/50/12/63/594501263.db2.gz CDHOQKYHYXKETA-LLVKDONJSA-N -1 1 345.363 1.423 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H](C2CCOCC2)C1 ZINC000826496632 594501265 /nfs/dbraw/zinc/50/12/65/594501265.db2.gz CDHOQKYHYXKETA-LLVKDONJSA-N -1 1 345.363 1.423 20 5 EDBDMM Cc1nn(CN2CC[C@H](CNC(=O)[O-])C2)c2ccc([N+](=O)[O-])cc12 ZINC000830871303 594501594 /nfs/dbraw/zinc/50/15/94/594501594.db2.gz RORILWBLDNJTCD-LLVKDONJSA-N -1 1 333.348 1.800 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cccc(F)c2C1 ZINC000826497399 594502131 /nfs/dbraw/zinc/50/21/31/594502131.db2.gz GAKINVULHRVONC-UHFFFAOYSA-N -1 1 341.306 1.872 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2cccc(F)c2C1 ZINC000826497399 594502132 /nfs/dbraw/zinc/50/21/32/594502132.db2.gz GAKINVULHRVONC-UHFFFAOYSA-N -1 1 341.306 1.872 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nnn[n-]3)nn2)c1 ZINC000826498332 594503010 /nfs/dbraw/zinc/50/30/10/594503010.db2.gz QAJUNFMRUOFZQS-UHFFFAOYSA-N -1 1 332.711 1.830 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2ccc(-c3nn[n-]n3)nn2)c1 ZINC000826498332 594503012 /nfs/dbraw/zinc/50/30/12/594503012.db2.gz QAJUNFMRUOFZQS-UHFFFAOYSA-N -1 1 332.711 1.830 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCCOCC2)cc1F ZINC000867060647 594572995 /nfs/dbraw/zinc/57/29/95/594572995.db2.gz OWDSQLYKSRMUPN-SNVBAGLBSA-N -1 1 332.353 1.890 20 5 EDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@@H](N2CC=CC2)C1 ZINC000833307484 594824233 /nfs/dbraw/zinc/82/42/33/594824233.db2.gz OPTFYLHKCKPOQC-SNVBAGLBSA-N -1 1 348.315 1.652 20 5 EDBDMM COC1([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000841565104 594923762 /nfs/dbraw/zinc/92/37/62/594923762.db2.gz ORWWSCOJEJAHJS-SECBINFHSA-N -1 1 332.353 1.970 20 5 EDBDMM O=C([O-])N1CC[C@H](N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834081046 595008630 /nfs/dbraw/zinc/00/86/30/595008630.db2.gz DBLYRVAEQGXJJG-GJZGRUSLSA-N -1 1 335.360 1.845 20 5 EDBDMM Cc1nonc1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848587579 595410805 /nfs/dbraw/zinc/41/08/05/595410805.db2.gz JWXGJKXNNJKMIU-UHFFFAOYSA-N -1 1 328.231 1.574 20 5 EDBDMM C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])O1 ZINC000849460889 595538230 /nfs/dbraw/zinc/53/82/30/595538230.db2.gz RJPUZLOPEDZQGC-ZJUUUORDSA-N -1 1 332.353 1.970 20 5 EDBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867569115 596435931 /nfs/dbraw/zinc/43/59/31/596435931.db2.gz VBMSRSUSCNKSCB-AOOOYVTPSA-N -1 1 332.353 1.746 20 5 EDBDMM O=C([O-])[C@@H]1c2ccoc2CCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863473098 596591748 /nfs/dbraw/zinc/59/17/48/596591748.db2.gz ZJRAISGXDNPBSL-ZFWWWQNUSA-N -1 1 332.312 1.905 20 5 EDBDMM C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000739160245 602732698 /nfs/dbraw/zinc/73/26/98/602732698.db2.gz KMRXFYUUFKPJLR-MRVPVSSYSA-N -1 1 333.304 1.295 20 5 EDBDMM O=C(N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412381426 304003897 /nfs/dbraw/zinc/00/38/97/304003897.db2.gz UCKHRUVQPSBLGR-SMDDNHRTSA-N -1 1 344.327 1.741 20 5 EDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000133111368 138388381 /nfs/dbraw/zinc/38/83/81/138388381.db2.gz UDRODDOATOJIOQ-UHFFFAOYSA-N -1 1 348.743 1.562 20 5 EDBDMM O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186993571 236089497 /nfs/dbraw/zinc/08/94/97/236089497.db2.gz YNWIXCVQQDVAGX-QMMMGPOBSA-N -1 1 348.281 1.309 20 5 EDBDMM CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000346855472 143252154 /nfs/dbraw/zinc/25/21/54/143252154.db2.gz VRBGVIGJLPAHLL-UHFFFAOYSA-N -1 1 338.345 1.392 20 5 EDBDMM Cn1cnc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])c1 ZINC000416526921 304328904 /nfs/dbraw/zinc/32/89/04/304328904.db2.gz BWLYKSWWWZZHSY-UHFFFAOYSA-N -1 1 344.780 1.503 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(c2cnccn2)CC1 ZINC000377308962 157914319 /nfs/dbraw/zinc/91/43/19/157914319.db2.gz YVLUGXMKIRBYMH-UHFFFAOYSA-N -1 1 329.316 1.505 20 5 EDBDMM CC(C)[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122022999 287376957 /nfs/dbraw/zinc/37/69/57/287376957.db2.gz BAVCMRAFIPMLGO-LLVKDONJSA-N -1 1 336.797 1.934 20 5 EDBDMM C[C@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123046874 222206652 /nfs/dbraw/zinc/20/66/52/222206652.db2.gz FZWUXVNVYLRJBH-LURJTMIESA-N -1 1 339.167 1.016 20 5 EDBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(CC(=O)OC)n2)c1 ZINC000284203368 274115669 /nfs/dbraw/zinc/11/56/69/274115669.db2.gz ZTFQJKHISICAKC-UHFFFAOYSA-N -1 1 349.303 1.079 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1=CCOCC1 ZINC000451679558 305361769 /nfs/dbraw/zinc/36/17/69/305361769.db2.gz ZEGQRHVSQYSJDJ-UHFFFAOYSA-N -1 1 332.765 1.873 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cccc2cc[nH]c21 ZINC000525969912 305831430 /nfs/dbraw/zinc/83/14/30/305831430.db2.gz UROCEKLOOJAQFF-UHFFFAOYSA-N -1 1 332.341 1.950 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000532421610 305983682 /nfs/dbraw/zinc/98/36/82/305983682.db2.gz OQODYQJGICKXRZ-KWCYVHTRSA-N -1 1 331.353 1.606 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(Cc2ccsc2)CC1 ZINC000028316768 441430553 /nfs/dbraw/zinc/43/05/53/441430553.db2.gz PYFFDIXRHLAALX-UHFFFAOYSA-N -1 1 348.384 1.303 20 5 EDBDMM CN(C)C(=O)Cn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1 ZINC000066817905 441571839 /nfs/dbraw/zinc/57/18/39/441571839.db2.gz FVSVWEZNLZOBGP-UHFFFAOYSA-N -1 1 334.292 1.531 20 5 EDBDMM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533884201 320697371 /nfs/dbraw/zinc/69/73/71/320697371.db2.gz CQNZYRLOTQSATP-NSHDSACASA-N -1 1 349.368 1.930 20 5 EDBDMM O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278287564 444130214 /nfs/dbraw/zinc/13/02/14/444130214.db2.gz ZOFQUHBWUYIMRG-NSHDSACASA-N -1 1 349.318 1.416 20 5 EDBDMM COc1ccc(O[C@@H](C)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000278281152 444128538 /nfs/dbraw/zinc/12/85/38/444128538.db2.gz ZAQXDZLEAFHPKI-JTQLQIEISA-N -1 1 347.327 1.901 20 5 EDBDMM CO[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289702099 444192914 /nfs/dbraw/zinc/19/29/14/444192914.db2.gz DSMHEDZSIKVREZ-ZCFIWIBFSA-N -1 1 326.733 1.701 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000330451169 444986605 /nfs/dbraw/zinc/98/66/05/444986605.db2.gz JRTKOODPXCDEOO-VIFPVBQESA-N -1 1 332.382 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cccs2)c([N+](=O)[O-])n1 ZINC000339038767 445001427 /nfs/dbraw/zinc/00/14/27/445001427.db2.gz AEYRDVZBCNHSAC-QMMMGPOBSA-N -1 1 330.391 1.912 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1CCN(C2CC2)C1 ZINC000339042009 445004241 /nfs/dbraw/zinc/00/42/41/445004241.db2.gz WUZQQJWRGPPIQS-VIFPVBQESA-N -1 1 345.808 1.763 20 5 EDBDMM Cn1cc([C@@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2CO)cn1 ZINC000339129574 445046972 /nfs/dbraw/zinc/04/69/72/445046972.db2.gz TZYJFQUNKDUKAF-HIFRSBDPSA-N -1 1 332.360 1.242 20 5 EDBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000611072363 450423306 /nfs/dbraw/zinc/42/33/06/450423306.db2.gz QYCYJPLGMFGVEB-QMMMGPOBSA-N -1 1 336.739 1.781 20 5 EDBDMM CN(C)C(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000356826483 446051384 /nfs/dbraw/zinc/05/13/84/446051384.db2.gz OJCKSYUWNDWLGA-UHFFFAOYSA-N -1 1 344.327 1.327 20 5 EDBDMM O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000420084292 447592063 /nfs/dbraw/zinc/59/20/63/447592063.db2.gz ADYZXVMDNVLTBR-LLVKDONJSA-N -1 1 333.304 1.492 20 5 EDBDMM Cc1csc([C@@H](C)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000541832270 448697031 /nfs/dbraw/zinc/69/70/31/448697031.db2.gz UOGOXZTXCBREQS-QMMMGPOBSA-N -1 1 342.402 1.837 20 5 EDBDMM Cc1cc(N2CCN(C(C)(C)CO)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592972748 449091391 /nfs/dbraw/zinc/09/13/91/449091391.db2.gz VHXPAOVXIHKZSX-UHFFFAOYSA-N -1 1 337.376 1.494 20 5 EDBDMM CCC1(O)CCC([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000611314158 449259643 /nfs/dbraw/zinc/25/96/43/449259643.db2.gz PRRWKZIIVZYOQJ-UHFFFAOYSA-N -1 1 329.378 1.352 20 5 EDBDMM CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598777594 449596287 /nfs/dbraw/zinc/59/62/87/449596287.db2.gz YWTVMXYZXNRIGS-NHYWBVRUSA-N -1 1 337.332 1.547 20 5 EDBDMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)nc2n1 ZINC000608800710 449941667 /nfs/dbraw/zinc/94/16/67/449941667.db2.gz VNQRGEYDTWMPIJ-UHFFFAOYSA-N -1 1 328.288 1.195 20 5 EDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000618378001 450185054 /nfs/dbraw/zinc/18/50/54/450185054.db2.gz IUFWDENPSCKANJ-MUWHJKNJSA-N -1 1 335.238 1.487 20 5 EDBDMM CCOC(=O)c1nc(CNC(=O)c2cccc(C)c2[N+](=O)[O-])n[n-]1 ZINC000615920428 450273438 /nfs/dbraw/zinc/27/34/38/450273438.db2.gz TWECFQMRGFJSEY-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(C)c2[N+](=O)[O-])n1 ZINC000615920428 450273443 /nfs/dbraw/zinc/27/34/43/450273443.db2.gz TWECFQMRGFJSEY-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM CCCc1[nH]nc(C(=O)[N-]N2Cc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000183840497 528547712 /nfs/dbraw/zinc/54/77/12/528547712.db2.gz FLITUVUQUXWSRW-UHFFFAOYSA-N -1 1 329.316 1.571 20 5 EDBDMM O=C([O-])N1CC[C@@H](CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000740502062 579354062 /nfs/dbraw/zinc/35/40/62/579354062.db2.gz CVNVEKIOYPONSM-LBPRGKRZSA-N -1 1 335.364 1.112 20 5 EDBDMM O=C(NCc1cccc2c1OCCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000727857136 578540060 /nfs/dbraw/zinc/54/00/60/578540060.db2.gz QYKVWYXSEDPGCW-UHFFFAOYSA-N -1 1 331.284 1.397 20 5 EDBDMM C[C@H](CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000736571657 579001308 /nfs/dbraw/zinc/00/13/08/579001308.db2.gz MGKBVYHMMHNTQD-MRVPVSSYSA-N -1 1 329.740 1.839 20 5 EDBDMM CN(CCCNC(=O)[O-])[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000739677323 579235076 /nfs/dbraw/zinc/23/50/76/579235076.db2.gz WMGYWHWLUVJBQV-CYBMUJFWSA-N -1 1 336.348 1.290 20 5 EDBDMM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000750985625 579789718 /nfs/dbraw/zinc/78/97/18/579789718.db2.gz VMFREKARZZDNPU-UHFFFAOYSA-N -1 1 327.252 1.241 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1ccc(F)cc1 ZINC000751187881 579796717 /nfs/dbraw/zinc/79/67/17/579796717.db2.gz HKFJYNJZRHVMHH-NSHDSACASA-N -1 1 341.320 1.141 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC[C@H](SC)C2)c([N+](=O)[O-])n1 ZINC000754817951 579913451 /nfs/dbraw/zinc/91/34/51/579913451.db2.gz ZKAPNBRLLHSORY-IUCAKERBSA-N -1 1 334.423 1.374 20 5 EDBDMM Cn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C1CC1 ZINC000769867447 580247400 /nfs/dbraw/zinc/24/74/00/580247400.db2.gz CAGOYCWWLXKZNZ-UHFFFAOYSA-N -1 1 338.345 1.712 20 5 EDBDMM Cc1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000773165478 580329247 /nfs/dbraw/zinc/32/92/47/580329247.db2.gz YZOFGNQJQHTHCX-NSHDSACASA-N -1 1 334.361 1.347 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)ccnc1-2 ZINC000791285163 580788416 /nfs/dbraw/zinc/78/84/16/580788416.db2.gz FMKOLDPFDCJNOK-UHFFFAOYSA-N -1 1 337.299 1.379 20 5 EDBDMM COCC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000791417449 580792075 /nfs/dbraw/zinc/79/20/75/580792075.db2.gz OWZRSXJYQIACLA-UHFFFAOYSA-N -1 1 329.161 1.826 20 5 EDBDMM CCOC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCC1 ZINC000792517235 580822081 /nfs/dbraw/zinc/82/20/81/580822081.db2.gz VQTHFQGLBZHXIJ-UHFFFAOYSA-N -1 1 337.332 1.549 20 5 EDBDMM COC(=O)Cn1ncc([N-]c2nc3ccccn3c2[N+](=O)[O-])c1C ZINC000795225456 580916334 /nfs/dbraw/zinc/91/63/34/580916334.db2.gz GALUPDNXYVYOKT-UHFFFAOYSA-N -1 1 330.304 1.664 20 5 EDBDMM O=C(COC(=O)c1cn[n-]n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000805606128 593112174 /nfs/dbraw/zinc/11/21/74/593112174.db2.gz SPQOJWDUJYQANE-UHFFFAOYSA-N -1 1 325.668 1.162 20 5 EDBDMM CCOC(=O)[C@@H](CC)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821319589 594015670 /nfs/dbraw/zinc/01/56/70/594015670.db2.gz DZHLJJQQHYTCJU-MRVPVSSYSA-N -1 1 338.349 1.604 20 5 EDBDMM CCOC(=O)[C@@H](CC)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821319589 594015672 /nfs/dbraw/zinc/01/56/72/594015672.db2.gz DZHLJJQQHYTCJU-MRVPVSSYSA-N -1 1 338.349 1.604 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(CCO)CCCC1 ZINC000823620485 594221830 /nfs/dbraw/zinc/22/18/30/594221830.db2.gz LOBRHLNWUDKQHG-UHFFFAOYSA-N -1 1 333.352 1.525 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(CCO)CCCC1 ZINC000823620485 594221831 /nfs/dbraw/zinc/22/18/31/594221831.db2.gz LOBRHLNWUDKQHG-UHFFFAOYSA-N -1 1 333.352 1.525 20 5 EDBDMM O=[N+]([O-])c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823648584 594224553 /nfs/dbraw/zinc/22/45/53/594224553.db2.gz XIMKPIBUACCVHA-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM O=[N+]([O-])c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823648584 594224554 /nfs/dbraw/zinc/22/45/54/594224554.db2.gz XIMKPIBUACCVHA-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM CCN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CN(C(=O)[O-])C1 ZINC000826983379 594616441 /nfs/dbraw/zinc/61/64/41/594616441.db2.gz NVFBFKTWWXEETL-UHFFFAOYSA-N -1 1 333.304 1.295 20 5 EDBDMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000833792905 594930684 /nfs/dbraw/zinc/93/06/84/594930684.db2.gz AQQPDCDULJMSRW-JTQLQIEISA-N -1 1 325.321 1.713 20 5 EDBDMM O=C([N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)[C@@H]1CC1[N+](=O)[O-] ZINC000842352969 595082773 /nfs/dbraw/zinc/08/27/73/595082773.db2.gz HYDMNEBHDFLYDE-CLZZGJSISA-N -1 1 340.691 1.088 20 5 EDBDMM CCC[C@@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000845967855 595108655 /nfs/dbraw/zinc/10/86/55/595108655.db2.gz FARGPMKGNPZSJX-MWLCHTKSSA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@@]1(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000845974729 595110568 /nfs/dbraw/zinc/11/05/68/595110568.db2.gz DMCUEQAHOUKUHM-MNOVXSKESA-N -1 1 337.760 1.973 20 5 EDBDMM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])nn1 ZINC000842825448 595210233 /nfs/dbraw/zinc/21/02/33/595210233.db2.gz PKINWZGTLDIMES-UHFFFAOYSA-N -1 1 343.340 1.076 20 5 EDBDMM CCn1ncc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000859252559 596018427 /nfs/dbraw/zinc/01/84/27/596018427.db2.gz SZTKYALDFFCVMT-UHFFFAOYSA-N -1 1 345.768 1.338 20 5 EDBDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000859340314 596056312 /nfs/dbraw/zinc/05/63/12/596056312.db2.gz DGISURXUUVJHGR-SREGZZRCSA-N -1 1 332.353 1.824 20 5 EDBDMM C[C@](CNC(=O)[O-])(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000738922729 602440942 /nfs/dbraw/zinc/44/09/42/602440942.db2.gz CDYKXGPGQQREAJ-OAHLLOKOSA-N -1 1 347.331 1.637 20 5 EDBDMM O=C(NCC1CN(Cc2ccc([N+](=O)[O-])cc2)C1)c1ncccc1[O-] ZINC001031627688 697365470 /nfs/dbraw/zinc/36/54/70/697365470.db2.gz SHDQONMLXFDUDP-UHFFFAOYSA-N -1 1 342.355 1.557 20 5 EDBDMM CCc1ccc([C@@H](COC)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187127729 529711336 /nfs/dbraw/zinc/71/13/36/529711336.db2.gz VMDBQTWBMBYFLN-LLVKDONJSA-N -1 1 335.316 1.968 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)NC(C)(C)C ZINC000068345838 215301322 /nfs/dbraw/zinc/30/13/22/215301322.db2.gz AUBPVXSULLLIAT-ZETCQYMHSA-N -1 1 335.407 1.238 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@H]3C23CCC3)s1 ZINC000245536136 139078414 /nfs/dbraw/zinc/07/84/14/139078414.db2.gz IGUQMPANTLBMDK-GGZOMVNGSA-N -1 1 344.414 1.892 20 5 EDBDMM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000269897104 140014463 /nfs/dbraw/zinc/01/44/63/140014463.db2.gz NLGMYNYXIDNUEF-UHFFFAOYSA-N -1 1 340.361 1.760 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCSCC(C)C)c([N+](=O)[O-])n1 ZINC000339451380 142048854 /nfs/dbraw/zinc/04/88/54/142048854.db2.gz PMQMQORFIOEKRY-UHFFFAOYSA-N -1 1 336.439 1.479 20 5 EDBDMM Cc1nn(C)cc1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373885755 157048599 /nfs/dbraw/zinc/04/85/99/157048599.db2.gz NIBAVNFJGHOZKX-LBPRGKRZSA-N -1 1 331.332 1.715 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c[nH]nc3C2)s1 ZINC000374543966 157323619 /nfs/dbraw/zinc/32/36/19/157323619.db2.gz CHOUTRJFQNKAKY-QMMMGPOBSA-N -1 1 328.375 1.215 20 5 EDBDMM CC(C)[C@@H](CCO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000122533636 222107368 /nfs/dbraw/zinc/10/73/68/222107368.db2.gz REKQYOJVFSPHQL-SNVBAGLBSA-N -1 1 336.797 1.934 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)s1 ZINC000273592606 268060868 /nfs/dbraw/zinc/06/08/68/268060868.db2.gz KCKNAPCUVPVORK-ZCFIWIBFSA-N -1 1 346.365 1.933 20 5 EDBDMM CCCC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000273692715 268072423 /nfs/dbraw/zinc/07/24/23/268072423.db2.gz BOPXIJOBYCDIHF-JTQLQIEISA-N -1 1 348.352 1.744 20 5 EDBDMM C[C@@H](CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275009247 268262931 /nfs/dbraw/zinc/26/29/31/268262931.db2.gz POSAJDACQCUIIR-QMMMGPOBSA-N -1 1 334.325 1.513 20 5 EDBDMM CCOC(=O)CN(CC(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275052342 268271799 /nfs/dbraw/zinc/27/17/99/268271799.db2.gz XGWFHQPOVJYRHT-UHFFFAOYSA-N -1 1 325.321 1.357 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H](O)C2CC2)cc1Cl ZINC000281265416 273454915 /nfs/dbraw/zinc/45/49/15/273454915.db2.gz VWFBGDVATWFQOA-JTQLQIEISA-N -1 1 338.744 1.437 20 5 EDBDMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000246611287 287746582 /nfs/dbraw/zinc/74/65/82/287746582.db2.gz LDEMSBXKYZCHDA-SKYOCIEYSA-N -1 1 341.389 1.505 20 5 EDBDMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCC(C)(C)[N+](=O)[O-] ZINC000295966558 303287126 /nfs/dbraw/zinc/28/71/26/303287126.db2.gz VLDWUSZVMAGGFA-UHFFFAOYSA-N -1 1 335.364 1.091 20 5 EDBDMM CCC1(CC)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H]1OC ZINC000531684880 305964445 /nfs/dbraw/zinc/96/44/45/305964445.db2.gz CAPFHALJSOLNBQ-VXGBXAGGSA-N -1 1 343.405 1.862 20 5 EDBDMM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cn1 ZINC000544724873 306078132 /nfs/dbraw/zinc/07/81/32/306078132.db2.gz AEBQRWJIQZRGGJ-UHFFFAOYSA-N -1 1 336.373 1.907 20 5 EDBDMM Cc1n[n-]c(=S)n1CCNC(=O)CNc1ccccc1[N+](=O)[O-] ZINC000073942438 441372093 /nfs/dbraw/zinc/37/20/93/441372093.db2.gz FUHGCCAHGSOTPW-UHFFFAOYSA-N -1 1 336.377 1.386 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@@H](C)O1 ZINC000028940642 441442344 /nfs/dbraw/zinc/44/23/44/441442344.db2.gz FMSXIZBRQNRTNE-VXGBXAGGSA-N -1 1 337.376 1.530 20 5 EDBDMM CO[C@@]1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000074975665 441484287 /nfs/dbraw/zinc/48/42/87/441484287.db2.gz AMEREWFPUJPNON-GWCFXTLKSA-N -1 1 329.378 1.472 20 5 EDBDMM O=C(c1cncc([O-])c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000109042909 441485874 /nfs/dbraw/zinc/48/58/74/441485874.db2.gz WYTGKQUXDJBPKB-UHFFFAOYSA-N -1 1 328.328 1.658 20 5 EDBDMM CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000031309104 441520969 /nfs/dbraw/zinc/52/09/69/441520969.db2.gz CWEQTFZYOYTDKW-VIFPVBQESA-N -1 1 344.327 1.733 20 5 EDBDMM CC[N@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000158009688 442636843 /nfs/dbraw/zinc/63/68/43/442636843.db2.gz RBLBYBBVYXLUMY-GFCCVEGCSA-N -1 1 327.406 1.666 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])n1 ZINC000416552213 319442320 /nfs/dbraw/zinc/44/23/20/319442320.db2.gz BJXXAGSLASTYFQ-WDEREUQCSA-N -1 1 344.393 1.047 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000533178306 320685246 /nfs/dbraw/zinc/68/52/46/320685246.db2.gz DRDFIWJLTCYLNN-JQWIXIFHSA-N -1 1 349.368 1.833 20 5 EDBDMM CC(C)C[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000538539747 320744734 /nfs/dbraw/zinc/74/47/34/320744734.db2.gz XPOBCUHSIDZADM-NEPJUHHUSA-N -1 1 343.405 1.862 20 5 EDBDMM Nc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000564364330 321128189 /nfs/dbraw/zinc/12/81/89/321128189.db2.gz SEHUEIPIFTXPNM-UHFFFAOYSA-N -1 1 340.299 1.920 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(CC(F)(F)F)CC1 ZINC000298061194 444401423 /nfs/dbraw/zinc/40/14/23/444401423.db2.gz GBHIGAKMXORELN-UHFFFAOYSA-N -1 1 334.254 1.016 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2O)ccc1[O-] ZINC000336852528 444801974 /nfs/dbraw/zinc/80/19/74/444801974.db2.gz SNBHRVCKDSNCHA-UHFFFAOYSA-N -1 1 328.277 1.946 20 5 EDBDMM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000336864389 444809950 /nfs/dbraw/zinc/80/99/50/444809950.db2.gz NKLOUCKDUQBMCI-LBPRGKRZSA-N -1 1 344.389 1.602 20 5 EDBDMM Cc1noc(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000348478942 445304411 /nfs/dbraw/zinc/30/44/11/445304411.db2.gz SSXJGXBSDHOOLC-UHFFFAOYSA-N -1 1 341.301 1.699 20 5 EDBDMM CN1CCC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000360452756 445709425 /nfs/dbraw/zinc/70/94/25/445709425.db2.gz XCBUGQOKOBSMCD-VIFPVBQESA-N -1 1 347.780 1.147 20 5 EDBDMM CC(C)c1nnc2n1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000373115601 446038573 /nfs/dbraw/zinc/03/85/73/446038573.db2.gz MJOCEPQTRRHYOP-UHFFFAOYSA-N -1 1 332.320 1.066 20 5 EDBDMM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000373752956 446325403 /nfs/dbraw/zinc/32/54/03/446325403.db2.gz GAWLEURUSDFZFM-NTZNESFSSA-N -1 1 337.332 1.104 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2noc([N-]Cc3nnc4n3CCC4)n2)cc1 ZINC000432136867 446452525 /nfs/dbraw/zinc/45/25/25/446452525.db2.gz BZPGTMKDJQYQPJ-UHFFFAOYSA-N -1 1 327.304 1.795 20 5 EDBDMM CO[C@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000452759822 446462811 /nfs/dbraw/zinc/46/28/11/446462811.db2.gz YKHUTXJRXUNKKZ-MRXNPFEDSA-N -1 1 331.328 1.987 20 5 EDBDMM COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)ccc1O ZINC000433208760 446548103 /nfs/dbraw/zinc/54/81/03/446548103.db2.gz OCHDTFNMQHYXBK-UHFFFAOYSA-N -1 1 333.300 1.682 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOc2cc(O)ccc2C1 ZINC000377118787 446931926 /nfs/dbraw/zinc/93/19/26/446931926.db2.gz LUYZCYPDTYFWIO-UHFFFAOYSA-N -1 1 331.284 1.436 20 5 EDBDMM CN(C)c1ncn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)n1 ZINC000442745972 446949877 /nfs/dbraw/zinc/94/98/77/446949877.db2.gz XTBLKJQXBKNVTO-UHFFFAOYSA-N -1 1 341.331 1.822 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000375662431 446957630 /nfs/dbraw/zinc/95/76/30/446957630.db2.gz ZDWHDGYOFWEIJR-SWLSCSKDSA-N -1 1 349.387 1.531 20 5 EDBDMM COc1cccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1[N+](=O)[O-] ZINC000425307544 447103552 /nfs/dbraw/zinc/10/35/52/447103552.db2.gz UILVTIWLAYBXTC-VIFPVBQESA-N -1 1 348.315 1.712 20 5 EDBDMM COC(=O)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000445004081 447155110 /nfs/dbraw/zinc/15/51/10/447155110.db2.gz FBOZSQAKJMTABN-GFCCVEGCSA-N -1 1 345.311 1.382 20 5 EDBDMM CCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000445216243 447178169 /nfs/dbraw/zinc/17/81/69/447178169.db2.gz NUYSHHCTSDODAW-JTQLQIEISA-N -1 1 339.348 1.936 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)on1 ZINC000525461811 448001019 /nfs/dbraw/zinc/00/10/19/448001019.db2.gz LBFCTMZYTWZVOR-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM Cc1nc([C@H]2CN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000579963781 448923106 /nfs/dbraw/zinc/92/31/06/448923106.db2.gz CASMPEXVVNOJLU-GFCCVEGCSA-N -1 1 347.331 1.606 20 5 EDBDMM Cc1nc([C@@H]2CN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CCO2)n[nH]1 ZINC000579963782 448923161 /nfs/dbraw/zinc/92/31/61/448923161.db2.gz CASMPEXVVNOJLU-LBPRGKRZSA-N -1 1 347.331 1.606 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1Cc2cccc(O)c2C1 ZINC000574743015 448944776 /nfs/dbraw/zinc/94/47/76/448944776.db2.gz LOHYWUWWHPTAEN-JTQLQIEISA-N -1 1 335.341 1.141 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 ZINC000590566387 449193009 /nfs/dbraw/zinc/19/30/09/449193009.db2.gz ZPDQCMXUGOELRV-UHFFFAOYSA-N -1 1 329.276 1.165 20 5 EDBDMM C[C@@H](Cc1ccccn1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594478705 449543907 /nfs/dbraw/zinc/54/39/07/449543907.db2.gz JCGJESSQRWYANJ-VIFPVBQESA-N -1 1 327.387 1.961 20 5 EDBDMM CC(C)OC(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000594408958 449499950 /nfs/dbraw/zinc/49/99/50/449499950.db2.gz RYOWPIHUOITVOW-LLVKDONJSA-N -1 1 339.348 1.792 20 5 EDBDMM CCc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600870648 449578175 /nfs/dbraw/zinc/57/81/75/449578175.db2.gz XCWNGNLQPMBFHT-LBPRGKRZSA-N -1 1 349.387 1.778 20 5 EDBDMM CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601314100 449823215 /nfs/dbraw/zinc/82/32/15/449823215.db2.gz YRZKOTBXRMOJDE-JTQLQIEISA-N -1 1 333.435 1.727 20 5 EDBDMM O=C(NCc1nn[n-]n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000609533098 450044297 /nfs/dbraw/zinc/04/42/97/450044297.db2.gz XCVOCUCIZONHMI-UHFFFAOYSA-N -1 1 331.317 1.161 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000595346902 450059966 /nfs/dbraw/zinc/05/99/66/450059966.db2.gz XWPXJTKEQZNVSX-UHFFFAOYSA-N -1 1 327.318 1.378 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCO)CCc1ccccc1 ZINC000618375405 450183041 /nfs/dbraw/zinc/18/30/41/450183041.db2.gz OHWXLOFBRMKKEP-UHFFFAOYSA-N -1 1 331.328 1.373 20 5 EDBDMM O=C([O-])N1CC[C@H](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000740432684 579346006 /nfs/dbraw/zinc/34/60/06/579346006.db2.gz YTTNFWYKRGXQPO-VIFPVBQESA-N -1 1 347.331 1.591 20 5 EDBDMM C[C@@H](CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000736572845 579001494 /nfs/dbraw/zinc/00/14/94/579001494.db2.gz SLWLOEWGQKQLNF-QMMMGPOBSA-N -1 1 329.740 1.839 20 5 EDBDMM O=C([O-])CCc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2F)s1 ZINC000739777197 579249431 /nfs/dbraw/zinc/24/94/31/579249431.db2.gz KKEQOFFFGAAGPP-UHFFFAOYSA-N -1 1 340.292 1.855 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000777982143 580454288 /nfs/dbraw/zinc/45/42/88/580454288.db2.gz LVFNWOOUDTUCMO-ZETCQYMHSA-N -1 1 344.324 1.773 20 5 EDBDMM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000751446016 579807412 /nfs/dbraw/zinc/80/74/12/579807412.db2.gz KYIGDPAKKGLVBV-MRVPVSSYSA-N -1 1 332.359 1.570 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2[nH]nc(C3CC3)c2C)c([N+](=O)[O-])n1 ZINC000751595783 579814011 /nfs/dbraw/zinc/81/40/11/579814011.db2.gz DVXKAXDADHPZNX-UHFFFAOYSA-N -1 1 340.365 1.521 20 5 EDBDMM O=C(NCc1ccccc1[N+](=O)[O-])c1ccc2n[n-]c(=S)n2c1 ZINC000773821748 580347006 /nfs/dbraw/zinc/34/70/06/580347006.db2.gz JMYIMPXJYURLTA-UHFFFAOYSA-N -1 1 329.341 1.856 20 5 EDBDMM CC(=CC(=O)N(C)C[C@H](C)c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000773999593 580351418 /nfs/dbraw/zinc/35/14/18/580351418.db2.gz UXAJDZIFCGMDKU-IEHMKBBKSA-N -1 1 330.348 1.773 20 5 EDBDMM CCOC(CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)OCC ZINC000786899641 580683260 /nfs/dbraw/zinc/68/32/60/580683260.db2.gz RNBHQPGIEYVGRT-UHFFFAOYSA-N -1 1 338.407 1.724 20 5 EDBDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)N(C)C ZINC000789799221 580754125 /nfs/dbraw/zinc/75/41/25/580754125.db2.gz MDKVUSGEMCOPCV-ZDUSSCGKSA-N -1 1 343.405 1.127 20 5 EDBDMM CN1CCN(CCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000796529094 580955832 /nfs/dbraw/zinc/95/58/32/580955832.db2.gz AIXYHAOACIGMCJ-HYXAFXHYSA-N -1 1 334.376 1.352 20 5 EDBDMM Cn1cc2c(n1)CCC[C@@H]2[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800975498 581063325 /nfs/dbraw/zinc/06/33/25/581063325.db2.gz AFFZLSUYAPIXRX-NSHDSACASA-N -1 1 342.402 1.746 20 5 EDBDMM Cc1cccc(OCCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000028814009 593066971 /nfs/dbraw/zinc/06/69/71/593066971.db2.gz BHJSRSQVXLBGCB-UHFFFAOYSA-N -1 1 331.328 1.790 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@H]2CCOC2)c(Cl)cc1Cl ZINC000809828337 593362918 /nfs/dbraw/zinc/36/29/18/593362918.db2.gz KACIMUPFHOOEES-LURJTMIESA-N -1 1 341.172 1.969 20 5 EDBDMM COCC1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CC1 ZINC000809826504 593362996 /nfs/dbraw/zinc/36/29/96/593362996.db2.gz ILBSNOUOOILSAR-UHFFFAOYSA-N -1 1 338.744 1.845 20 5 EDBDMM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032713 593610850 /nfs/dbraw/zinc/61/08/50/593610850.db2.gz XBQOFSHMTGQIDA-RQJHMYQMSA-N -1 1 340.760 1.825 20 5 EDBDMM CO[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(F)(F)F ZINC000821677683 593907865 /nfs/dbraw/zinc/90/78/65/593907865.db2.gz BZFJHYKUBBMRRP-LURJTMIESA-N -1 1 333.230 1.159 20 5 EDBDMM CO[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(F)(F)F ZINC000821677683 593907866 /nfs/dbraw/zinc/90/78/66/593907866.db2.gz BZFJHYKUBBMRRP-LURJTMIESA-N -1 1 333.230 1.159 20 5 EDBDMM CCOC(=O)[C@H](CC)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821319590 594015350 /nfs/dbraw/zinc/01/53/50/594015350.db2.gz DZHLJJQQHYTCJU-QMMMGPOBSA-N -1 1 338.349 1.604 20 5 EDBDMM CCOC(=O)[C@H](CC)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821319590 594015352 /nfs/dbraw/zinc/01/53/52/594015352.db2.gz DZHLJJQQHYTCJU-QMMMGPOBSA-N -1 1 338.349 1.604 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCOC2(CCCC2)C1 ZINC000823621207 594222042 /nfs/dbraw/zinc/22/20/42/594222042.db2.gz ZFTKRABHHAIKFD-UHFFFAOYSA-N -1 1 331.336 1.319 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCOC2(CCCC2)C1 ZINC000823621207 594222043 /nfs/dbraw/zinc/22/20/43/594222043.db2.gz ZFTKRABHHAIKFD-UHFFFAOYSA-N -1 1 331.336 1.319 20 5 EDBDMM O=[N+]([O-])c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000823646881 594224456 /nfs/dbraw/zinc/22/44/56/594224456.db2.gz CATPYLYSVNSGNQ-UHFFFAOYSA-N -1 1 342.275 1.690 20 5 EDBDMM O=[N+]([O-])c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000823646881 594224457 /nfs/dbraw/zinc/22/44/57/594224457.db2.gz CATPYLYSVNSGNQ-UHFFFAOYSA-N -1 1 342.275 1.690 20 5 EDBDMM Cc1[nH]nc(C(=O)N2CCC[C@H](C)[C@@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000829832931 594273135 /nfs/dbraw/zinc/27/31/35/594273135.db2.gz CYTAPHJJBIVXQO-CBAPKCEASA-N -1 1 325.325 1.135 20 5 EDBDMM O=Cc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(F)c1 ZINC000826484202 594497172 /nfs/dbraw/zinc/49/71/72/594497172.db2.gz RWVYJTTVAXDMOM-UHFFFAOYSA-N -1 1 330.235 1.914 20 5 EDBDMM O=Cc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(F)c1 ZINC000826484202 594497173 /nfs/dbraw/zinc/49/71/73/594497173.db2.gz RWVYJTTVAXDMOM-UHFFFAOYSA-N -1 1 330.235 1.914 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2cc(F)ccc2C1 ZINC000826497834 594502796 /nfs/dbraw/zinc/50/27/96/594502796.db2.gz WDZOMZWIHBEODN-UHFFFAOYSA-N -1 1 341.306 1.872 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2cc(F)ccc2C1 ZINC000826497834 594502797 /nfs/dbraw/zinc/50/27/97/594502797.db2.gz WDZOMZWIHBEODN-UHFFFAOYSA-N -1 1 341.306 1.872 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@@H](C)C2)cc1F ZINC000867044157 594600167 /nfs/dbraw/zinc/60/01/67/594600167.db2.gz FONXSHGAJJHPPK-UWVGGRQHSA-N -1 1 332.353 1.888 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCO[C@H](C)C2)cc1F ZINC000867044159 594600275 /nfs/dbraw/zinc/60/02/75/594600275.db2.gz FONXSHGAJJHPPK-ZJUUUORDSA-N -1 1 332.353 1.888 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC[C@H]2C)cc1F ZINC000867263057 594914717 /nfs/dbraw/zinc/91/47/17/594914717.db2.gz DKFORYYXZYDZTL-MNOVXSKESA-N -1 1 346.380 1.993 20 5 EDBDMM COC(=O)CC1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000845973056 595110740 /nfs/dbraw/zinc/11/07/40/595110740.db2.gz VRFNSYRXRGNMNF-UHFFFAOYSA-N -1 1 348.764 1.622 20 5 EDBDMM O=C(O[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837582938 595145254 /nfs/dbraw/zinc/14/52/54/595145254.db2.gz JYCCECAXTUUAMI-QCZZGDTMSA-N -1 1 334.328 1.905 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCCO2)cc1F ZINC000866601890 596265568 /nfs/dbraw/zinc/26/55/68/596265568.db2.gz TZDMLLDSFFZUFV-JTQLQIEISA-N -1 1 332.353 1.890 20 5 EDBDMM Cc1nc([N+](=O)[O-])cn1CC(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000557837850 306234354 /nfs/dbraw/zinc/23/43/54/306234354.db2.gz AOYNEDWUOILLMR-UHFFFAOYSA-N -1 1 342.315 1.834 20 5 EDBDMM CCC(CC)[C@H](O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000119139718 282281653 /nfs/dbraw/zinc/28/16/53/282281653.db2.gz MEQXXWMTYVOAFL-LLVKDONJSA-N -1 1 334.369 1.809 20 5 EDBDMM CN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1=O ZINC000160103650 529821468 /nfs/dbraw/zinc/82/14/68/529821468.db2.gz QDGISNSBVIWJLY-QMMMGPOBSA-N -1 1 347.780 1.147 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)N1CCCCC1 ZINC000066333656 215034943 /nfs/dbraw/zinc/03/49/43/215034943.db2.gz CJEMUPVSKJWWAM-VIFPVBQESA-N -1 1 347.418 1.336 20 5 EDBDMM Cc1n[nH]c(CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000565012842 306372817 /nfs/dbraw/zinc/37/28/17/306372817.db2.gz SBDFVSURHCZJBE-UHFFFAOYSA-N -1 1 325.712 1.353 20 5 EDBDMM O=C(N[C@H]1COc2ccc(F)cc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000378141303 284251960 /nfs/dbraw/zinc/25/19/60/284251960.db2.gz QBFIYSGDWUHGQD-LLVKDONJSA-N -1 1 333.275 1.568 20 5 EDBDMM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)no1 ZINC000093002291 218184859 /nfs/dbraw/zinc/18/48/59/218184859.db2.gz AJCXFNJQHARFSQ-UHFFFAOYSA-N -1 1 330.297 1.212 20 5 EDBDMM O=C([O-])C1CCC(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000261878108 139233378 /nfs/dbraw/zinc/23/33/78/139233378.db2.gz MFBAAYIPZSXYMD-UHFFFAOYSA-N -1 1 346.336 1.656 20 5 EDBDMM COCCOCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263692315 139353134 /nfs/dbraw/zinc/35/31/34/139353134.db2.gz OXSOHPLUNVHEPH-UHFFFAOYSA-N -1 1 338.769 1.190 20 5 EDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000492208401 255162241 /nfs/dbraw/zinc/16/22/41/255162241.db2.gz NSMYKZMHZQWOQY-QDZRJHCZSA-N -1 1 328.332 1.527 20 5 EDBDMM Cn1ccnc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)[nH]n1 ZINC000119491125 221331654 /nfs/dbraw/zinc/33/16/54/221331654.db2.gz PQTFMGVTYVMUNY-UHFFFAOYSA-N -1 1 328.288 1.676 20 5 EDBDMM CCn1ccnc1[C@H]1OCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000346083796 143165916 /nfs/dbraw/zinc/16/59/16/143165916.db2.gz LVCHJRWILMHDOL-PWSUYJOCSA-N -1 1 347.331 1.172 20 5 EDBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccc(C)cc3)n2)c1[N+](=O)[O-] ZINC000347929840 143380330 /nfs/dbraw/zinc/38/03/30/143380330.db2.gz FZWLFNQMEQBYSE-UHFFFAOYSA-N -1 1 327.304 1.972 20 5 EDBDMM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000360908236 152248409 /nfs/dbraw/zinc/24/84/09/152248409.db2.gz FVKILMJVCQVTHZ-JTQLQIEISA-N -1 1 337.332 1.642 20 5 EDBDMM Cn1nccc1[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000374778997 157397205 /nfs/dbraw/zinc/39/72/05/157397205.db2.gz OHOQBENLZHMAID-SNVBAGLBSA-N -1 1 331.332 1.449 20 5 EDBDMM Cc1nn(C)c(N2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] ZINC000281835903 273539522 /nfs/dbraw/zinc/53/95/22/273539522.db2.gz LEIUTWHVAUEJSV-UHFFFAOYSA-N -1 1 349.313 1.532 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC=C(Br)C1 ZINC000282296697 273624614 /nfs/dbraw/zinc/62/46/14/273624614.db2.gz MAZLUMRWNSIBIB-UHFFFAOYSA-N -1 1 328.122 1.820 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n(C)n1 ZINC000284632497 274272141 /nfs/dbraw/zinc/27/21/41/274272141.db2.gz KWNLBSATBJFLPM-UHFFFAOYSA-N -1 1 344.780 1.769 20 5 EDBDMM CC(C)C(=O)NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119510642 278689807 /nfs/dbraw/zinc/68/98/07/278689807.db2.gz VMNXWKGLWBANOV-UHFFFAOYSA-N -1 1 349.796 1.299 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)F ZINC000295796353 303268240 /nfs/dbraw/zinc/26/82/40/303268240.db2.gz RXULRYULKWIWQD-WPRPVWTQSA-N -1 1 342.295 1.417 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000532260835 305977933 /nfs/dbraw/zinc/97/79/33/305977933.db2.gz FSODLLUOAUTBBO-GUTXKFCHSA-N -1 1 345.380 1.854 20 5 EDBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000543171417 306061182 /nfs/dbraw/zinc/06/11/82/306061182.db2.gz IEHSQWNTYLBREQ-MNOVXSKESA-N -1 1 329.378 1.473 20 5 EDBDMM Cn1c(=O)oc2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc21 ZINC000062179772 441297812 /nfs/dbraw/zinc/29/78/12/441297812.db2.gz SQMHFBQTNXFSBU-UHFFFAOYSA-N -1 1 349.324 1.841 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccsc2)C1 ZINC000163386009 442162718 /nfs/dbraw/zinc/16/27/18/442162718.db2.gz YVLWQAQFAVMSEZ-GFCCVEGCSA-N -1 1 335.341 1.971 20 5 EDBDMM Cc1c(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cnn1C ZINC000152619978 442231301 /nfs/dbraw/zinc/23/13/01/442231301.db2.gz USXCWKSIBVZEJG-UHFFFAOYSA-N -1 1 328.325 1.254 20 5 EDBDMM CC(C)(C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000129490004 442318526 /nfs/dbraw/zinc/31/85/26/442318526.db2.gz UGJPUKLIQKPHBM-UHFFFAOYSA-N -1 1 335.407 1.097 20 5 EDBDMM CN(Cc1nc2ccccc2n1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000131224203 442367063 /nfs/dbraw/zinc/36/70/63/442367063.db2.gz AKGLKHUKFZZMMR-UHFFFAOYSA-N -1 1 341.327 1.854 20 5 EDBDMM CN(CCOc1ccccc1F)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186801877 442613970 /nfs/dbraw/zinc/61/39/70/442613970.db2.gz QGNHJGDXFFYMPR-UHFFFAOYSA-N -1 1 335.291 1.986 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000188333663 442740780 /nfs/dbraw/zinc/74/07/80/442740780.db2.gz JMTKKAVBPFEXLB-BDAKNGLRSA-N -1 1 334.781 1.688 20 5 EDBDMM Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C(N)=O ZINC000194626050 442926214 /nfs/dbraw/zinc/92/62/14/442926214.db2.gz PIGXPSWBJDFQQU-UHFFFAOYSA-N -1 1 335.341 1.803 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000269484069 443322267 /nfs/dbraw/zinc/32/22/67/443322267.db2.gz MFKBBAHXJQOYPO-UHFFFAOYSA-N -1 1 348.764 1.622 20 5 EDBDMM COCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000282404137 443328294 /nfs/dbraw/zinc/32/82/94/443328294.db2.gz SDZXFHNEMZLIEM-UHFFFAOYSA-N -1 1 332.353 1.829 20 5 EDBDMM Cc1nc(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000269527197 443337553 /nfs/dbraw/zinc/33/75/53/443337553.db2.gz ICGLTQWKCWHPKN-UHFFFAOYSA-N -1 1 331.332 1.715 20 5 EDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000267712464 443550856 /nfs/dbraw/zinc/55/08/56/443550856.db2.gz IITCUQOUOLLBLI-NSHDSACASA-N -1 1 348.764 1.478 20 5 EDBDMM O=c1nc([C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000289541427 444168277 /nfs/dbraw/zinc/16/82/77/444168277.db2.gz WROLOLUQYKZIIU-NSHDSACASA-N -1 1 333.348 1.265 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3ncn[n-]3)co2)cc1 ZINC000340581275 444449018 /nfs/dbraw/zinc/44/90/18/444449018.db2.gz YXXWRPUPMCOBPX-UHFFFAOYSA-N -1 1 335.301 1.342 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3nc[n-]n3)co2)cc1 ZINC000340581275 444449022 /nfs/dbraw/zinc/44/90/22/444449022.db2.gz YXXWRPUPMCOBPX-UHFFFAOYSA-N -1 1 335.301 1.342 20 5 EDBDMM CCOCCC1(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CC1 ZINC000339048829 445009351 /nfs/dbraw/zinc/00/93/51/445009351.db2.gz ZTKVXGBMJYEJMO-UHFFFAOYSA-N -1 1 346.409 1.296 20 5 EDBDMM CCOC(=O)c1cnc(NC(=O)CCNc2ccccc2[N+](=O)[O-])[n-]1 ZINC000339174763 445072897 /nfs/dbraw/zinc/07/28/97/445072897.db2.gz KHNQGDXJKWKBTD-UHFFFAOYSA-N -1 1 347.331 1.935 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)CCNc2ccccc2[N+](=O)[O-])n1 ZINC000339174763 445072901 /nfs/dbraw/zinc/07/29/01/445072901.db2.gz KHNQGDXJKWKBTD-UHFFFAOYSA-N -1 1 347.331 1.935 20 5 EDBDMM Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000353510071 445636075 /nfs/dbraw/zinc/63/60/75/445636075.db2.gz LOMVHHBENUKWJR-UHFFFAOYSA-N -1 1 341.283 1.905 20 5 EDBDMM Cc1cnc(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c([O-])c1 ZINC000358734445 445750064 /nfs/dbraw/zinc/75/00/64/445750064.db2.gz BKMDWBAWGMVRMP-UHFFFAOYSA-N -1 1 342.355 1.966 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cncc(F)c2)c([N+](=O)[O-])n1 ZINC000359198285 446025768 /nfs/dbraw/zinc/02/57/68/446025768.db2.gz MAWIEMDVXSXCMT-QMMMGPOBSA-N -1 1 343.340 1.385 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377415882 447120296 /nfs/dbraw/zinc/12/02/96/447120296.db2.gz ZUCRKQLWQZOKTJ-SECBINFHSA-N -1 1 337.723 1.633 20 5 EDBDMM CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445005261 447154954 /nfs/dbraw/zinc/15/49/54/447154954.db2.gz RKIWGMFUHQRVPA-SECBINFHSA-N -1 1 337.332 1.499 20 5 EDBDMM CCC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000552120634 447935665 /nfs/dbraw/zinc/93/56/65/447935665.db2.gz PCBBAIKBVRBMEE-NSHDSACASA-N -1 1 328.394 1.143 20 5 EDBDMM C[C@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576114941 447977259 /nfs/dbraw/zinc/97/72/59/447977259.db2.gz CIXLWTSEBASZOQ-CABZTGNLSA-N -1 1 332.316 1.940 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(F)ccc1F ZINC000525703161 448015620 /nfs/dbraw/zinc/01/56/20/448015620.db2.gz WRXMWGYIWXTIQK-UHFFFAOYSA-N -1 1 329.284 1.747 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCOC2(CCCC2)C1 ZINC000532006414 448181700 /nfs/dbraw/zinc/18/17/00/448181700.db2.gz UMOYLCCCVZTVHK-NSHDSACASA-N -1 1 341.389 1.760 20 5 EDBDMM Cc1cc(N2CCN(CC(C)(C)O)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000584532474 448560851 /nfs/dbraw/zinc/56/08/51/448560851.db2.gz RTRQMLLMKOWLKS-UHFFFAOYSA-N -1 1 337.376 1.494 20 5 EDBDMM CC(C)CN1CCO[C@@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000578537032 448575022 /nfs/dbraw/zinc/57/50/22/448575022.db2.gz UIDTYSJTLFJXIP-NSHDSACASA-N -1 1 338.364 1.457 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])n1 ZINC000592086143 448672199 /nfs/dbraw/zinc/67/21/99/448672199.db2.gz OHFILQZMOVINSR-AOOOYVTPSA-N -1 1 346.409 1.436 20 5 EDBDMM Cc1c(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000600869184 449577298 /nfs/dbraw/zinc/57/72/98/449577298.db2.gz LFIIUFFZVZMKNY-NSHDSACASA-N -1 1 335.360 1.524 20 5 EDBDMM CO[C@@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594697441 449630449 /nfs/dbraw/zinc/63/04/49/449630449.db2.gz VXLBOJNIKFUPPH-RISCZKNCSA-N -1 1 344.389 1.696 20 5 EDBDMM CO[C@H](CS(=O)(=O)[N-]c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594697439 449630198 /nfs/dbraw/zinc/63/01/98/449630198.db2.gz VXLBOJNIKFUPPH-BXUZGUMPSA-N -1 1 344.389 1.696 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccccn2)c([N+](=O)[O-])n1 ZINC000594797351 449708385 /nfs/dbraw/zinc/70/83/85/449708385.db2.gz URFRLSYCVHRBMT-SNVBAGLBSA-N -1 1 339.377 1.288 20 5 EDBDMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594779238 449690226 /nfs/dbraw/zinc/69/02/26/449690226.db2.gz KACBSCJRZVVQOG-SECBINFHSA-N -1 1 325.350 1.246 20 5 EDBDMM CCc1cnccc1[C@@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599283237 449859005 /nfs/dbraw/zinc/85/90/05/449859005.db2.gz RXRUVWNHRQXKHL-SECBINFHSA-N -1 1 339.377 1.325 20 5 EDBDMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000614932649 449885170 /nfs/dbraw/zinc/88/51/70/449885170.db2.gz LWOOXDJAAMGQCX-LBPRGKRZSA-N -1 1 349.265 1.879 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)on1 ZINC000610161330 450148817 /nfs/dbraw/zinc/14/88/17/450148817.db2.gz CJIQHWAKRDGTKL-UHFFFAOYSA-N -1 1 341.345 1.632 20 5 EDBDMM Cc1csc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000610260394 450172853 /nfs/dbraw/zinc/17/28/53/450172853.db2.gz AUFJHXRBWBZXSD-UHFFFAOYSA-N -1 1 328.375 1.276 20 5 EDBDMM COCCN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000737814849 579130898 /nfs/dbraw/zinc/13/08/98/579130898.db2.gz LDFPMDVAHKAANX-RYWCDNDXSA-N -1 1 349.387 1.850 20 5 EDBDMM C[C@@](CO)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768848776 580222248 /nfs/dbraw/zinc/22/22/48/580222248.db2.gz PPHBBPUUVSOYSQ-ZDUSSCGKSA-N -1 1 342.398 1.842 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000770704394 580268587 /nfs/dbraw/zinc/26/85/87/580268587.db2.gz GQWOOOVZRDYVHB-ISVAXAHUSA-N -1 1 335.291 1.686 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)COc3cccc([N+](=O)[O-])c3)ccnc1-2 ZINC000791164449 580785599 /nfs/dbraw/zinc/78/55/99/580785599.db2.gz JQAZZEDCBSERJS-UHFFFAOYSA-N -1 1 327.300 1.268 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2O3)cc1F ZINC000867460546 591581920 /nfs/dbraw/zinc/58/19/20/591581920.db2.gz PLGDBYYREYWFQN-UISBYWKRSA-N -1 1 330.337 1.641 20 5 EDBDMM C[C@H](OC(=O)c1cn[n-]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000805605514 593111613 /nfs/dbraw/zinc/11/16/13/593111613.db2.gz JEFCQHMVJOUMLB-ZETCQYMHSA-N -1 1 330.260 1.681 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CC1(CO)CC1 ZINC000815021198 593610203 /nfs/dbraw/zinc/61/02/03/593610203.db2.gz CUMDRCVSSWDSTL-UHFFFAOYSA-N -1 1 338.744 1.438 20 5 EDBDMM COC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025491 593610272 /nfs/dbraw/zinc/61/02/72/593610272.db2.gz VQRRQJFFXKOCBD-RXMQYKEDSA-N -1 1 340.716 1.227 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1ccc(OCCO)cc1 ZINC000823624747 594222687 /nfs/dbraw/zinc/22/26/87/594222687.db2.gz ICADUEKVICFBOB-UHFFFAOYSA-N -1 1 343.303 1.285 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1ccc(OCCO)cc1 ZINC000823624747 594222688 /nfs/dbraw/zinc/22/26/88/594222688.db2.gz ICADUEKVICFBOB-UHFFFAOYSA-N -1 1 343.303 1.285 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOC1CCOCC1 ZINC000823624760 594222723 /nfs/dbraw/zinc/22/27/23/594222723.db2.gz IOKFBXFOSQPRDL-UHFFFAOYSA-N -1 1 349.351 1.168 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOC1CCOCC1 ZINC000823624760 594222724 /nfs/dbraw/zinc/22/27/24/594222724.db2.gz IOKFBXFOSQPRDL-UHFFFAOYSA-N -1 1 349.351 1.168 20 5 EDBDMM CO[C@@H]1COCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832065925 594723635 /nfs/dbraw/zinc/72/36/35/594723635.db2.gz IJOQARWJXNLFHY-GXSJLCMTSA-N -1 1 348.352 1.064 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000841562158 594923555 /nfs/dbraw/zinc/92/35/55/594923555.db2.gz UKNZVOABLVROIR-MFKMUULPSA-N -1 1 334.369 1.808 20 5 EDBDMM Cc1nn(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000833921015 594965975 /nfs/dbraw/zinc/96/59/75/594965975.db2.gz PZQLGKREJCGCCD-AVGNSLFASA-N -1 1 337.380 1.734 20 5 EDBDMM COCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000848478867 595389684 /nfs/dbraw/zinc/38/96/84/595389684.db2.gz NMQVKAQTMBZELC-UHFFFAOYSA-N -1 1 334.781 1.953 20 5 EDBDMM O=C(NC[C@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000109021052 595708877 /nfs/dbraw/zinc/70/88/77/595708877.db2.gz AQYQQEGDXGDKJJ-QGZVFWFLSA-N -1 1 343.339 1.649 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23OCCO3)s1 ZINC000851815011 595932190 /nfs/dbraw/zinc/93/21/90/595932190.db2.gz ABAONYIECFLNAK-MRVPVSSYSA-N -1 1 334.375 1.230 20 5 EDBDMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000851854381 595948535 /nfs/dbraw/zinc/94/85/35/595948535.db2.gz QPLJHEVFUHWDQL-VIFPVBQESA-N -1 1 332.353 1.827 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@]2(C)CCOC2)cc1F ZINC000866784080 596344063 /nfs/dbraw/zinc/34/40/63/596344063.db2.gz LCDCZLWIJVDIGU-CYBMUJFWSA-N -1 1 332.353 1.747 20 5 EDBDMM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000882702498 598026341 /nfs/dbraw/zinc/02/63/41/598026341.db2.gz BDVYDZSYAZLOEY-AOOOYVTPSA-N -1 1 332.353 1.746 20 5 EDBDMM CCN1CC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000882766987 598050086 /nfs/dbraw/zinc/05/00/86/598050086.db2.gz XBLVYUQCPZCIBT-SECBINFHSA-N -1 1 333.797 1.621 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000139416984 698971347 /nfs/dbraw/zinc/97/13/47/698971347.db2.gz CLMOKYXDZSBXPJ-MRVPVSSYSA-N -1 1 347.368 1.315 20 5 EDBDMM COc1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCO2 ZINC000412372587 304002419 /nfs/dbraw/zinc/00/24/19/304002419.db2.gz AVGOXJCPCJVACZ-UHFFFAOYSA-N -1 1 345.311 1.739 20 5 EDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N(C)c1ccccc1 ZINC000186936478 236070470 /nfs/dbraw/zinc/07/04/70/236070470.db2.gz QXLJVGFCDYRAGM-LLVKDONJSA-N -1 1 330.344 1.950 20 5 EDBDMM CC[C@H](CO)N1CCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])CC1 ZINC000566292571 306407308 /nfs/dbraw/zinc/40/73/08/306407308.db2.gz URDGAJKJKGCDNX-GFCCVEGCSA-N -1 1 337.376 1.494 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000331521247 141042397 /nfs/dbraw/zinc/04/23/97/141042397.db2.gz KIYRRMJRJNQWAJ-MXWKQRLJSA-N -1 1 344.393 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccccc2O)c([N+](=O)[O-])n1 ZINC000339048559 141948536 /nfs/dbraw/zinc/94/85/36/141948536.db2.gz TYSHNVNZMIEEMD-UHFFFAOYSA-N -1 1 340.361 1.038 20 5 EDBDMM Cn1nc2c(c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCCC2 ZINC000360816573 152217214 /nfs/dbraw/zinc/21/72/14/152217214.db2.gz HVQWJCXMZBOINO-UHFFFAOYSA-N -1 1 331.332 1.238 20 5 EDBDMM O=C(Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000352385313 162153594 /nfs/dbraw/zinc/15/35/94/162153594.db2.gz FLHXLEOCABHGEI-SNVBAGLBSA-N -1 1 342.311 1.380 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000273692245 268072521 /nfs/dbraw/zinc/07/25/21/268072521.db2.gz LZJFRGSVHDTAQU-JTQLQIEISA-N -1 1 342.295 1.328 20 5 EDBDMM O=c1nc(C2CCN(c3ccc([N+](=O)[O-])c4cnccc43)CC2)[nH][n-]1 ZINC000281039564 273428635 /nfs/dbraw/zinc/42/86/35/273428635.db2.gz VIXXLENZZVIWBU-UHFFFAOYSA-N -1 1 340.343 1.938 20 5 EDBDMM COCc1nnc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)[n-]1 ZINC000424208859 293333924 /nfs/dbraw/zinc/33/39/24/293333924.db2.gz QYCNGTIAIHSNPN-UHFFFAOYSA-N -1 1 326.334 1.142 20 5 EDBDMM COCc1nc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000424208859 293333925 /nfs/dbraw/zinc/33/39/25/293333925.db2.gz QYCNGTIAIHSNPN-UHFFFAOYSA-N -1 1 326.334 1.142 20 5 EDBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295368971 303210262 /nfs/dbraw/zinc/21/02/62/303210262.db2.gz SLSADYARMFNCCN-UHFFFAOYSA-N -1 1 336.797 1.935 20 5 EDBDMM CC[C@@H](CCC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000296858623 303342165 /nfs/dbraw/zinc/34/21/65/303342165.db2.gz DDNYOPNREKVXBW-QMMMGPOBSA-N -1 1 334.325 1.656 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])NCC1CC1 ZINC000179914157 442519085 /nfs/dbraw/zinc/51/90/85/442519085.db2.gz GBZLELYOVCCZMF-UHFFFAOYSA-N -1 1 347.780 1.053 20 5 EDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2ccccc21 ZINC000193408893 442740289 /nfs/dbraw/zinc/74/02/89/442740289.db2.gz BMELEDCLBPBFCK-LLVKDONJSA-N -1 1 342.355 1.876 20 5 EDBDMM CC(C)c1nc2n(n1)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000193690760 442767826 /nfs/dbraw/zinc/76/78/26/442767826.db2.gz ZGSIEIPCJNHOMJ-SNVBAGLBSA-N -1 1 346.347 1.155 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1CCO ZINC000188918551 442841945 /nfs/dbraw/zinc/84/19/45/442841945.db2.gz VGJILADZGURWCQ-GXSJLCMTSA-N -1 1 332.353 1.563 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)N(C)C ZINC000190582627 443142194 /nfs/dbraw/zinc/14/21/94/443142194.db2.gz QKWPJTAMXJACEK-ZETCQYMHSA-N -1 1 335.769 1.003 20 5 EDBDMM O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000269133212 443208316 /nfs/dbraw/zinc/20/83/16/443208316.db2.gz IUPVEDUXQDNOIY-YMTOWFKASA-N -1 1 339.373 1.480 20 5 EDBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000416172309 319397753 /nfs/dbraw/zinc/39/77/53/319397753.db2.gz VWKUWBUMHGRKHF-QMMMGPOBSA-N -1 1 348.315 1.604 20 5 EDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC2(CCOCC2)O1 ZINC000279105899 443515477 /nfs/dbraw/zinc/51/54/77/443515477.db2.gz DGSWMSHYLYVWEK-JTQLQIEISA-N -1 1 337.332 1.106 20 5 EDBDMM CCn1nccc1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000279414474 443582554 /nfs/dbraw/zinc/58/25/54/443582554.db2.gz HSQWUXIHJPJLLV-UHFFFAOYSA-N -1 1 345.359 1.932 20 5 EDBDMM COC(=O)CCC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000530760120 320638866 /nfs/dbraw/zinc/63/88/66/320638866.db2.gz LFEMHWLQOZVYNB-UHFFFAOYSA-N -1 1 337.332 1.501 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(CO)CCCCC1 ZINC000611025528 450412602 /nfs/dbraw/zinc/41/26/02/450412602.db2.gz VVAMKTMETLREJN-UHFFFAOYSA-N -1 1 329.378 1.211 20 5 EDBDMM Cc1ccncc1N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000337281933 445014169 /nfs/dbraw/zinc/01/41/69/445014169.db2.gz JMNQKYAFFFMAJZ-UHFFFAOYSA-N -1 1 343.343 1.361 20 5 EDBDMM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000366637072 446289552 /nfs/dbraw/zinc/28/95/52/446289552.db2.gz WBAHLVOGELSSKW-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(C1)Oc1ccccc1O2 ZINC000365689417 446301541 /nfs/dbraw/zinc/30/15/41/446301541.db2.gz UHCJUYNCYFNCFN-UHFFFAOYSA-N -1 1 343.295 1.709 20 5 EDBDMM Cc1n[nH]cc1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000377079221 446908125 /nfs/dbraw/zinc/90/81/25/446908125.db2.gz PRRWWSCYGCOFKE-UHFFFAOYSA-N -1 1 331.332 1.747 20 5 EDBDMM O=C(NCC1(c2ccccn2)CCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000377100107 446919262 /nfs/dbraw/zinc/91/92/62/446919262.db2.gz HMWGRMKTJJHEMC-UHFFFAOYSA-N -1 1 328.328 1.942 20 5 EDBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000569696895 447869368 /nfs/dbraw/zinc/86/93/68/447869368.db2.gz DHOIGFUMUWSNKI-LBPRGKRZSA-N -1 1 336.392 2.529 20 5 EDBDMM C[C@@H](Cc1cccc(O)c1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000570031898 447935780 /nfs/dbraw/zinc/93/57/80/447935780.db2.gz CLYSZNFPQCKSQY-JTQLQIEISA-N -1 1 337.357 1.605 20 5 EDBDMM Nc1nccc(C(=O)[N-]c2ncn(C3CCCCC3)n2)c1[N+](=O)[O-] ZINC000553222044 447978653 /nfs/dbraw/zinc/97/86/53/447978653.db2.gz ZGMIHYBWKLUJHE-UHFFFAOYSA-N -1 1 331.336 1.921 20 5 EDBDMM CNc1nccc(C(=O)[N-]c2nnc(C(C)(C)C)s2)c1[N+](=O)[O-] ZINC000557563890 448186338 /nfs/dbraw/zinc/18/63/38/448186338.db2.gz PMQITZRZGOALHA-UHFFFAOYSA-N -1 1 336.377 2.433 20 5 EDBDMM O=c1nc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)nc2[nH][n-]cc1-2 ZINC000515700029 448343961 /nfs/dbraw/zinc/34/39/61/448343961.db2.gz DQAYCQJFNHNJDU-UHFFFAOYSA-N -1 1 339.315 1.476 20 5 EDBDMM CC1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000534334751 448449372 /nfs/dbraw/zinc/44/93/72/448449372.db2.gz CEQGTNABHHQYGQ-UHFFFAOYSA-N -1 1 333.369 1.826 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@]2(CCSC2)C1 ZINC000566621610 448523358 /nfs/dbraw/zinc/52/33/58/448523358.db2.gz KYEYRDWZMZZBPO-CYBMUJFWSA-N -1 1 325.346 1.044 20 5 EDBDMM C[C@@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000518381601 448671650 /nfs/dbraw/zinc/67/16/50/448671650.db2.gz XFADPPVCSBVTJF-LLVKDONJSA-N -1 1 337.376 1.574 20 5 EDBDMM Cc1cc(N2CCN(C[C@@H]3CCCO3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967135 449089079 /nfs/dbraw/zinc/08/90/79/449089079.db2.gz RHKUFHHVWNJQKO-ZDUSSCGKSA-N -1 1 349.387 1.902 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(C(F)(F)F)CC2)nc1 ZINC000593595265 449096607 /nfs/dbraw/zinc/09/66/07/449096607.db2.gz MFMGKOJTYIVBHO-UHFFFAOYSA-N -1 1 325.268 1.611 20 5 EDBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)no1 ZINC000598613346 449494465 /nfs/dbraw/zinc/49/44/65/449494465.db2.gz VUNTVCWBJFMQAH-UHFFFAOYSA-N -1 1 326.334 1.382 20 5 EDBDMM COc1ccc2c(c1)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598772515 449592559 /nfs/dbraw/zinc/59/25/59/449592559.db2.gz CNONEEIDSJLXAA-UHFFFAOYSA-N -1 1 329.312 1.903 20 5 EDBDMM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cn1 ZINC000594754502 449669169 /nfs/dbraw/zinc/66/91/69/449669169.db2.gz RAWZKSGNIISQQM-SNVBAGLBSA-N -1 1 339.377 1.807 20 5 EDBDMM CC[C@@H](COCC1CC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594800510 449712336 /nfs/dbraw/zinc/71/23/36/449712336.db2.gz GOEHZVDEQQOMEK-NSHDSACASA-N -1 1 329.378 1.473 20 5 EDBDMM CN(CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000610259990 450172943 /nfs/dbraw/zinc/17/29/43/450172943.db2.gz DUSZQGRFYWTTJS-UHFFFAOYSA-N -1 1 336.373 1.405 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000610266033 450176266 /nfs/dbraw/zinc/17/62/66/450176266.db2.gz IHWGIFDGZXWIEU-MVWJERBFSA-N -1 1 341.389 1.472 20 5 EDBDMM O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000610875977 450363678 /nfs/dbraw/zinc/36/36/78/450363678.db2.gz FMXJLAQSYDPPRD-LBPRGKRZSA-N -1 1 340.299 1.333 20 5 EDBDMM C[C@H](O)CN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000736678968 579011772 /nfs/dbraw/zinc/01/17/72/579011772.db2.gz ZWWRYKZLYZPRFD-ODBHDECVSA-N -1 1 349.387 1.584 20 5 EDBDMM Cc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000747764924 579657472 /nfs/dbraw/zinc/65/74/72/579657472.db2.gz UFXZYXNHWJEFDY-UHFFFAOYSA-N -1 1 341.305 1.644 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000755595030 579930466 /nfs/dbraw/zinc/93/04/66/579930466.db2.gz VJLYQFJPVTUYTI-YGNAEDSMSA-N -1 1 342.359 1.917 20 5 EDBDMM Cn1[n-]c(COC(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)nc1=O ZINC000765509277 580144413 /nfs/dbraw/zinc/14/44/13/580144413.db2.gz RYNYSEFCQYMJHE-UHFFFAOYSA-N -1 1 330.659 1.166 20 5 EDBDMM O=C(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)OCc1ccccc1 ZINC000768262471 580209930 /nfs/dbraw/zinc/20/99/30/580209930.db2.gz AAPOUGSMNUHBQG-UHFFFAOYSA-N -1 1 345.311 1.559 20 5 EDBDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(N)c([N+](=O)[O-])c1 ZINC000774271045 580358152 /nfs/dbraw/zinc/35/81/52/580358152.db2.gz AJCIBINCPBIWMU-UHFFFAOYSA-N -1 1 347.331 1.594 20 5 EDBDMM O=C(CNc1ccccc1[N+](=O)[O-])OCCC[N-]C(=O)C(F)(F)F ZINC000774927983 580377823 /nfs/dbraw/zinc/37/78/23/580377823.db2.gz YDPAFIBIXXRNNY-UHFFFAOYSA-N -1 1 349.265 1.619 20 5 EDBDMM C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000776349663 580415402 /nfs/dbraw/zinc/41/54/02/580415402.db2.gz FFKMMUJMCPKAIN-SECBINFHSA-N -1 1 325.321 1.214 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)N=c2ccnc3n(C)[n-]cc2-3)c1 ZINC000791285235 580788422 /nfs/dbraw/zinc/78/84/22/580788422.db2.gz GMUCJRCZBZJWKX-UHFFFAOYSA-N -1 1 327.300 1.511 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COC[C@@H]2C2CC2)cc1F ZINC000908408022 592483702 /nfs/dbraw/zinc/48/37/02/592483702.db2.gz OIIOAQIONHRBKN-ZYHUDNBSSA-N -1 1 344.364 1.746 20 5 EDBDMM CC(C)(CO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809827199 593429354 /nfs/dbraw/zinc/42/93/54/593429354.db2.gz GAXCVMQZZMNJMQ-UHFFFAOYSA-N -1 1 340.760 1.684 20 5 EDBDMM C[C@@H](O)C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032711 593610863 /nfs/dbraw/zinc/61/08/63/593610863.db2.gz XBQOFSHMTGQIDA-RNFRBKRXSA-N -1 1 340.760 1.825 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000819385521 593753002 /nfs/dbraw/zinc/75/30/02/593753002.db2.gz WGJZQFHZSMQTFK-LBPRGKRZSA-N -1 1 345.359 1.998 20 5 EDBDMM C[C@@H](CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000820273914 593805339 /nfs/dbraw/zinc/80/53/39/593805339.db2.gz ABCJLZRNJZWDOB-SNVBAGLBSA-N -1 1 348.363 1.976 20 5 EDBDMM CC(C)[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824215575 593958714 /nfs/dbraw/zinc/95/87/14/593958714.db2.gz LNQHKGRDVIHTDZ-KOLCDFICSA-N -1 1 333.352 1.785 20 5 EDBDMM CC(C)[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824215575 593958716 /nfs/dbraw/zinc/95/87/16/593958716.db2.gz LNQHKGRDVIHTDZ-KOLCDFICSA-N -1 1 333.352 1.785 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000824453691 594016189 /nfs/dbraw/zinc/01/61/89/594016189.db2.gz SLPSCHYSHVCHQX-RKDXNWHRSA-N -1 1 339.352 1.560 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@@H](c2ccco2)C1 ZINC000823620959 594222157 /nfs/dbraw/zinc/22/21/57/594222157.db2.gz UQPUNMODUKWCTO-LLVKDONJSA-N -1 1 343.303 1.341 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@@H](c2ccco2)C1 ZINC000823620959 594222158 /nfs/dbraw/zinc/22/21/58/594222158.db2.gz UQPUNMODUKWCTO-LLVKDONJSA-N -1 1 343.303 1.341 20 5 EDBDMM Cc1n[nH]c(C(=O)N(C)CC[C@@H](NC(=O)[O-])C(C)C)c1[N+](=O)[O-] ZINC000829835235 594273651 /nfs/dbraw/zinc/27/36/51/594273651.db2.gz ZEMIPRXNYYZQKA-SECBINFHSA-N -1 1 327.341 1.381 20 5 EDBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CO1 ZINC000828288178 594383911 /nfs/dbraw/zinc/38/39/11/594383911.db2.gz CBCDTRDJZALZBV-RQJHMYQMSA-N -1 1 338.744 1.843 20 5 EDBDMM CCN(CC1CCN(C(=O)c2[nH]nc(C)c2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827089544 594638034 /nfs/dbraw/zinc/63/80/34/594638034.db2.gz KYARGRWFWPXFRV-UHFFFAOYSA-N -1 1 339.352 1.478 20 5 EDBDMM COC[C@@](C)(CC(=O)[O-])NCc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000831578103 594684946 /nfs/dbraw/zinc/68/49/46/594684946.db2.gz KVCZGWBCFLKONC-OAHLLOKOSA-N -1 1 340.332 1.431 20 5 EDBDMM O=C([O-])NC[C@@H]1CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000832568646 594760028 /nfs/dbraw/zinc/76/00/28/594760028.db2.gz WASGLCLNLCVMMV-VIFPVBQESA-N -1 1 333.304 1.343 20 5 EDBDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000833742866 594920193 /nfs/dbraw/zinc/92/01/93/594920193.db2.gz YJXYVNAUKPVAGS-GFCCVEGCSA-N -1 1 335.360 1.524 20 5 EDBDMM Cc1nc(-c2ccccn2)[n-]c(=O)c1CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000842359442 595085601 /nfs/dbraw/zinc/08/56/01/595085601.db2.gz SVLJPEMRPIRXGN-DGCLKSJQSA-N -1 1 344.327 1.304 20 5 EDBDMM COC1CC(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000849412275 595523000 /nfs/dbraw/zinc/52/30/00/595523000.db2.gz JXSLDNFEJDDOCL-UHFFFAOYSA-N -1 1 332.353 1.827 20 5 EDBDMM CC(C)(C)[S@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000116902612 596168966 /nfs/dbraw/zinc/16/89/66/596168966.db2.gz IOKLDQQTWWPTJQ-IBGZPJMESA-N -1 1 340.448 1.482 20 5 EDBDMM CC1(C)CO[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000872549028 596960355 /nfs/dbraw/zinc/96/03/55/596960355.db2.gz JPAVEZJHQOUKOC-SECBINFHSA-N -1 1 332.353 1.827 20 5 EDBDMM C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H]1n1ccnc1 ZINC000125682840 222594193 /nfs/dbraw/zinc/59/41/93/222594193.db2.gz CZETVDMVRPEXDX-GWCFXTLKSA-N -1 1 331.332 1.615 20 5 EDBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000173981670 231089866 /nfs/dbraw/zinc/08/98/66/231089866.db2.gz JFVMSGQHTDBUGL-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066000192 215003630 /nfs/dbraw/zinc/00/36/30/215003630.db2.gz REZADKDCBNSTFL-UHFFFAOYSA-N -1 1 344.418 1.528 20 5 EDBDMM C[C@H](O)C[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038105321 213202868 /nfs/dbraw/zinc/20/28/68/213202868.db2.gz ABHUHCRZNTYKJI-LURJTMIESA-N -1 1 339.167 1.016 20 5 EDBDMM O=C(Nc1nnn[n-]1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000076963332 138250585 /nfs/dbraw/zinc/25/05/85/138250585.db2.gz ZLDJQXFDRDDMLY-UHFFFAOYSA-N -1 1 339.315 1.972 20 5 EDBDMM O=C(Nc1nn[n-]n1)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 ZINC000076963332 138250586 /nfs/dbraw/zinc/25/05/86/138250586.db2.gz ZLDJQXFDRDDMLY-UHFFFAOYSA-N -1 1 339.315 1.972 20 5 EDBDMM CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000488354896 255042834 /nfs/dbraw/zinc/04/28/34/255042834.db2.gz KHBZHUNFVHGARM-LLVKDONJSA-N -1 1 345.359 1.760 20 5 EDBDMM O=C(N[C@@H]1CCO[C@@H]1c1cccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000346151235 143172893 /nfs/dbraw/zinc/17/28/93/143172893.db2.gz BBYLKIGZZVCKOB-DGCLKSJQSA-N -1 1 330.300 1.350 20 5 EDBDMM CCO[C@@H](CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)C ZINC000339042276 286200075 /nfs/dbraw/zinc/20/00/75/286200075.db2.gz SFNSYFMONNQPOM-NSHDSACASA-N -1 1 348.425 1.541 20 5 EDBDMM CC(C)[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000122528853 222105613 /nfs/dbraw/zinc/10/56/13/222105613.db2.gz CDKAGUNKENYDLF-JTQLQIEISA-N -1 1 336.797 1.934 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CO)CC(F)F)c(F)c1 ZINC000428368919 305009595 /nfs/dbraw/zinc/00/95/95/305009595.db2.gz HXEAPBMFHGRKJZ-LURJTMIESA-N -1 1 328.268 1.028 20 5 EDBDMM CCc1nc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CCO2)n[nH]1 ZINC000274701260 268187157 /nfs/dbraw/zinc/18/71/57/268187157.db2.gz QFVIIOUTZJGFEE-LBPRGKRZSA-N -1 1 347.331 1.195 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2O)CC1 ZINC000277747407 273222489 /nfs/dbraw/zinc/22/24/89/273222489.db2.gz IRSWQVZWPKYAFA-UHFFFAOYSA-N -1 1 344.327 1.363 20 5 EDBDMM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373217578 302528550 /nfs/dbraw/zinc/52/85/50/302528550.db2.gz AOYMDWRMBXWAEW-GFCCVEGCSA-N -1 1 347.331 1.249 20 5 EDBDMM Cn1cncc1[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCO1 ZINC000432894211 305097208 /nfs/dbraw/zinc/09/72/08/305097208.db2.gz PMOAASFHUDUVIW-GWCFXTLKSA-N -1 1 347.331 1.079 20 5 EDBDMM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000150926710 441976158 /nfs/dbraw/zinc/97/61/58/441976158.db2.gz PUOSBWBFMPIJEU-NSHDSACASA-N -1 1 345.359 1.524 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(c2nccs2)CC1 ZINC000193465785 442745680 /nfs/dbraw/zinc/74/56/80/442745680.db2.gz ZZZNIVGSNBMGSS-UHFFFAOYSA-N -1 1 349.372 1.504 20 5 EDBDMM C[C@@H](C[S@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183190742 442899835 /nfs/dbraw/zinc/89/98/35/442899835.db2.gz QSRZYEMCLXMNHR-IIYDVTGLSA-N -1 1 340.810 1.294 20 5 EDBDMM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282565845 443376702 /nfs/dbraw/zinc/37/67/02/443376702.db2.gz OOVTZWYKMUQQNK-VXNVDRBHSA-N -1 1 347.780 1.194 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OCC1CC1 ZINC000264714807 443387618 /nfs/dbraw/zinc/38/76/18/443387618.db2.gz CIXZYJIIXCRIQT-UHFFFAOYSA-N -1 1 348.764 1.480 20 5 EDBDMM COC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000272709217 443416469 /nfs/dbraw/zinc/41/64/69/443416469.db2.gz UXGPRXMSBNGSPG-SECBINFHSA-N -1 1 338.769 1.188 20 5 EDBDMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000279152353 443521483 /nfs/dbraw/zinc/52/14/83/443521483.db2.gz DSAITWNSWQGLSJ-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CCO)C1CCCCC1 ZINC000533094927 320682209 /nfs/dbraw/zinc/68/22/09/320682209.db2.gz IDKSNNYQHTXDHN-LBPRGKRZSA-N -1 1 343.405 1.599 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000281658402 443971463 /nfs/dbraw/zinc/97/14/63/443971463.db2.gz SFRSCNMXRNGJAN-NSHDSACASA-N -1 1 348.363 1.447 20 5 EDBDMM C[C@@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000285639620 444056520 /nfs/dbraw/zinc/05/65/20/444056520.db2.gz OGBWBHIAYYDAMC-NXEZZACHSA-N -1 1 332.353 1.685 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000343995010 444715954 /nfs/dbraw/zinc/71/59/54/444715954.db2.gz QKERWTSAGCCMDD-VIFPVBQESA-N -1 1 334.781 1.953 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@](C)(O)CCC(C)C)c([N+](=O)[O-])n1 ZINC000339040017 445001982 /nfs/dbraw/zinc/00/19/82/445001982.db2.gz NVKCBGMBMQXCNE-CYBMUJFWSA-N -1 1 348.425 1.277 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2F)c([N+](=O)[O-])n1 ZINC000339046685 445006859 /nfs/dbraw/zinc/00/68/59/445006859.db2.gz SUOXHLAYYLXCNY-UHFFFAOYSA-N -1 1 346.315 1.568 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000339046494 445006890 /nfs/dbraw/zinc/00/68/90/445006890.db2.gz AJRDJXSLCNGWBG-WDEREUQCSA-N -1 1 330.410 1.916 20 5 EDBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339438811 445141144 /nfs/dbraw/zinc/14/11/44/445141144.db2.gz YNWZIHOQZWSPLN-UHFFFAOYSA-N -1 1 348.315 1.468 20 5 EDBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000348272371 445334490 /nfs/dbraw/zinc/33/44/90/445334490.db2.gz CFNAJNWCTUGDOM-MRVPVSSYSA-N -1 1 334.361 1.394 20 5 EDBDMM CCOC(=O)c1ccc(NC(=O)c2n[nH]c(C)c2[N+](=O)[O-])c([O-])c1 ZINC000356289636 445720274 /nfs/dbraw/zinc/72/02/74/445720274.db2.gz DUZHKEOTLQSAQM-UHFFFAOYSA-N -1 1 334.288 1.761 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c(Oc2nc3c(cnn3C)c(=O)[n-]2)c1 ZINC000356491875 445820801 /nfs/dbraw/zinc/82/08/01/445820801.db2.gz RLUXHMVJKZROIQ-UHFFFAOYSA-N -1 1 345.271 1.556 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccc(O)cc2)CC1 ZINC000358979572 445872192 /nfs/dbraw/zinc/87/21/92/445872192.db2.gz KONQVAFTZCSQGY-UHFFFAOYSA-N -1 1 344.327 1.363 20 5 EDBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000361982452 446126031 /nfs/dbraw/zinc/12/60/31/446126031.db2.gz KHYANIYUWRKAAF-LLVKDONJSA-N -1 1 333.348 1.927 20 5 EDBDMM COc1cc(CN=c2nc([C@H](C)OC)[n-]s2)cc([N+](=O)[O-])c1O ZINC000359473212 446244980 /nfs/dbraw/zinc/24/49/80/446244980.db2.gz PMOHHTGRYLFNPG-ZETCQYMHSA-N -1 1 340.361 1.902 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000435796785 446711485 /nfs/dbraw/zinc/71/14/85/446711485.db2.gz BZGZDXRGEBQSEK-UHFFFAOYSA-N -1 1 338.389 1.722 20 5 EDBDMM O=C1OCCN1c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000495399436 447503397 /nfs/dbraw/zinc/50/33/97/447503397.db2.gz YHMQIRJNHDHPOH-UHFFFAOYSA-N -1 1 342.271 1.992 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2Cc3cccc(O)c3C2)s1 ZINC000428423485 447699249 /nfs/dbraw/zinc/69/92/49/447699249.db2.gz OURYVXDTRIZSDF-VIFPVBQESA-N -1 1 340.382 1.808 20 5 EDBDMM C[C@H](CCO)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000537182562 448551377 /nfs/dbraw/zinc/55/13/77/448551377.db2.gz QZFXFFCYWVAXFT-LLVKDONJSA-N -1 1 343.405 1.457 20 5 EDBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000597856192 449125646 /nfs/dbraw/zinc/12/56/46/449125646.db2.gz GEXRBFCPBASPDU-CYBMUJFWSA-N -1 1 331.328 1.371 20 5 EDBDMM O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000593547283 449339727 /nfs/dbraw/zinc/33/97/27/449339727.db2.gz TYDQIVHOIQEKOQ-SNVBAGLBSA-N -1 1 334.311 1.196 20 5 EDBDMM CC(C)Cn1cc([N-]c2ncnc(N3CCOCC3)c2[N+](=O)[O-])cn1 ZINC000598600121 449484760 /nfs/dbraw/zinc/48/47/60/449484760.db2.gz NNIZXHZTGCLUOQ-UHFFFAOYSA-N -1 1 347.379 1.818 20 5 EDBDMM O=C(NC[C@H]1CCCN1CC(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600839363 449572174 /nfs/dbraw/zinc/57/21/74/449572174.db2.gz WTADQTSQGFBBIV-MRVPVSSYSA-N -1 1 330.291 1.155 20 5 EDBDMM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](C)CC ZINC000610269428 450176531 /nfs/dbraw/zinc/17/65/31/450176531.db2.gz OUDWOMGJDAUQBL-KOLCDFICSA-N -1 1 345.377 1.246 20 5 EDBDMM Cc1cccn2cc(CCNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc12 ZINC000610453372 450225555 /nfs/dbraw/zinc/22/55/55/450225555.db2.gz BKIBRRMTXYNCQA-UHFFFAOYSA-N -1 1 341.327 1.624 20 5 EDBDMM C[C@@H]1COCCN1C1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000597679719 450191290 /nfs/dbraw/zinc/19/12/90/450191290.db2.gz SAXAWNWJONLDQN-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(CC(F)F)CC1 ZINC000187217648 534767183 /nfs/dbraw/zinc/76/71/83/534767183.db2.gz ISZVEKFHGDINIJ-UHFFFAOYSA-N -1 1 330.291 1.108 20 5 EDBDMM C[C@H](CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000736607054 579006464 /nfs/dbraw/zinc/00/64/64/579006464.db2.gz OEBQNGUDUTUTBC-RYWCDNDXSA-N -1 1 348.403 1.740 20 5 EDBDMM C[C@H](O)CN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000736678970 579011754 /nfs/dbraw/zinc/01/17/54/579011754.db2.gz ZWWRYKZLYZPRFD-RMKKPPKKSA-N -1 1 349.387 1.584 20 5 EDBDMM CCOC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000751981020 579831623 /nfs/dbraw/zinc/83/16/23/579831623.db2.gz HPWSGQYTJPAYPI-SECBINFHSA-N -1 1 348.402 1.666 20 5 EDBDMM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000759096364 579998358 /nfs/dbraw/zinc/99/83/58/579998358.db2.gz UQVJBSVWKTVEDL-WDEREUQCSA-N -1 1 348.352 1.206 20 5 EDBDMM CCCCC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000770593510 580265158 /nfs/dbraw/zinc/26/51/58/580265158.db2.gz MHZZVVVYEBJXOR-JTQLQIEISA-N -1 1 325.321 1.547 20 5 EDBDMM Cn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000779635666 580492136 /nfs/dbraw/zinc/49/21/36/580492136.db2.gz YCVPCHGOVXCEOG-UHFFFAOYSA-N -1 1 330.753 1.460 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC000786975447 580685725 /nfs/dbraw/zinc/68/57/25/580685725.db2.gz NJVRMSRCDBEDSK-BYPYZUCNSA-N -1 1 342.160 1.054 20 5 EDBDMM Nc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000792299054 580816852 /nfs/dbraw/zinc/81/68/52/580816852.db2.gz LDVQILFGPYCILD-UHFFFAOYSA-N -1 1 339.358 1.077 20 5 EDBDMM Cn1ccc(C[N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809830187 593363219 /nfs/dbraw/zinc/36/32/19/593363219.db2.gz OPRLGRONQSVLLX-UHFFFAOYSA-N -1 1 348.743 1.599 20 5 EDBDMM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000817147180 593576518 /nfs/dbraw/zinc/57/65/18/593576518.db2.gz YDJOHPANCZCACO-NXEZZACHSA-N -1 1 332.353 1.970 20 5 EDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N(C)CCC(=O)[O-] ZINC000817743890 593628211 /nfs/dbraw/zinc/62/82/11/593628211.db2.gz KVBSPZCITAOTFA-MRVPVSSYSA-N -1 1 329.740 1.982 20 5 EDBDMM CC(C)Cn1cc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000820108516 593791921 /nfs/dbraw/zinc/79/19/21/593791921.db2.gz LNWOBYXZQXZLSJ-UHFFFAOYSA-N -1 1 329.324 1.766 20 5 EDBDMM COc1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000821867339 593956813 /nfs/dbraw/zinc/95/68/13/593956813.db2.gz CLZUKEULFUWTIU-UHFFFAOYSA-N -1 1 342.319 1.228 20 5 EDBDMM COc1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000821867339 593956815 /nfs/dbraw/zinc/95/68/15/593956815.db2.gz CLZUKEULFUWTIU-UHFFFAOYSA-N -1 1 342.319 1.228 20 5 EDBDMM Cc1ccc([C@@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822230548 594015238 /nfs/dbraw/zinc/01/52/38/594015238.db2.gz JSPZEDANMWTREA-LBPRGKRZSA-N -1 1 341.331 1.624 20 5 EDBDMM Cc1ccc([C@@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822230548 594015240 /nfs/dbraw/zinc/01/52/40/594015240.db2.gz JSPZEDANMWTREA-LBPRGKRZSA-N -1 1 341.331 1.624 20 5 EDBDMM O=C(Nc1cc(-c2nn[nH]n2)ccc1[O-])c1ccc([N+](=O)[O-])s1 ZINC000823294813 594181453 /nfs/dbraw/zinc/18/14/53/594181453.db2.gz SDBRZGWBWVIWJI-UHFFFAOYSA-N -1 1 332.301 1.794 20 5 EDBDMM C[C@@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1cccc([N+](=O)[O-])c1 ZINC000825484323 594191636 /nfs/dbraw/zinc/19/16/36/594191636.db2.gz GURAVAYWWFMHLX-LLVKDONJSA-N -1 1 336.348 1.068 20 5 EDBDMM C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000825639959 594210218 /nfs/dbraw/zinc/21/02/18/594210218.db2.gz WZECXYRJBPGMRX-ZDUSSCGKSA-N -1 1 336.392 1.883 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1c2ccccc2C[C@H]1O ZINC000823620238 594221955 /nfs/dbraw/zinc/22/19/55/594221955.db2.gz IOEQCQFSLMZNHJ-VXGBXAGGSA-N -1 1 339.315 1.240 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1c2ccccc2C[C@H]1O ZINC000823620238 594221956 /nfs/dbraw/zinc/22/19/56/594221956.db2.gz IOEQCQFSLMZNHJ-VXGBXAGGSA-N -1 1 339.315 1.240 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1cccnc1 ZINC000823625146 594222501 /nfs/dbraw/zinc/22/25/01/594222501.db2.gz QNSVCGQWJLYFQT-UHFFFAOYSA-N -1 1 328.292 1.056 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1cccnc1 ZINC000823625146 594222502 /nfs/dbraw/zinc/22/25/02/594222502.db2.gz QNSVCGQWJLYFQT-UHFFFAOYSA-N -1 1 328.292 1.056 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC[C@@H]1CCCC[C@H]1O ZINC000823624545 594222663 /nfs/dbraw/zinc/22/26/63/594222663.db2.gz CIDSFOREXKBGJI-CMPLNLGQSA-N -1 1 347.379 1.913 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC[C@@H]1CCCC[C@H]1O ZINC000823624545 594222664 /nfs/dbraw/zinc/22/26/64/594222664.db2.gz CIDSFOREXKBGJI-CMPLNLGQSA-N -1 1 347.379 1.913 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1nnc2ccccn21 ZINC000823630268 594222953 /nfs/dbraw/zinc/22/29/53/594222953.db2.gz UWTQIGWOFVNSHD-UHFFFAOYSA-N -1 1 341.316 1.364 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1nnc2ccccn21 ZINC000823630268 594222954 /nfs/dbraw/zinc/22/29/54/594222954.db2.gz UWTQIGWOFVNSHD-UHFFFAOYSA-N -1 1 341.316 1.364 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ncc2ccccn21 ZINC000823630500 594223118 /nfs/dbraw/zinc/22/31/18/594223118.db2.gz YVEQYWGDMJVYCN-UHFFFAOYSA-N -1 1 340.328 1.969 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ncc2ccccn21 ZINC000823630500 594223119 /nfs/dbraw/zinc/22/31/19/594223119.db2.gz YVEQYWGDMJVYCN-UHFFFAOYSA-N -1 1 340.328 1.969 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Oc1ccc2nccnc2c1 ZINC000826497327 594502045 /nfs/dbraw/zinc/50/20/45/594502045.db2.gz CMNXFFYPBJXECA-UHFFFAOYSA-N -1 1 336.271 1.905 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Oc1ccc2nccnc2c1 ZINC000826497327 594502047 /nfs/dbraw/zinc/50/20/47/594502047.db2.gz CMNXFFYPBJXECA-UHFFFAOYSA-N -1 1 336.271 1.905 20 5 EDBDMM CC[C@@](C)([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000858958081 595932424 /nfs/dbraw/zinc/93/24/24/595932424.db2.gz FXIOBVSOMZCZGL-CQSZACIVSA-N -1 1 338.389 1.932 20 5 EDBDMM CCn1ncc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000859251609 596017719 /nfs/dbraw/zinc/01/77/19/596017719.db2.gz GWLSUBGZDVSYJZ-UHFFFAOYSA-N -1 1 345.768 1.338 20 5 EDBDMM O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000857322104 596212866 /nfs/dbraw/zinc/21/28/66/596212866.db2.gz KEUJPLQISWGOKH-SKDRFNHKSA-N -1 1 329.259 1.240 20 5 EDBDMM Cc1cccc([C@@H](O)C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000134488996 598102228 /nfs/dbraw/zinc/10/22/28/598102228.db2.gz JEHSXUWUJXTTBA-NSHDSACASA-N -1 1 342.398 1.977 20 5 EDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)NC2 ZINC000058497127 138160340 /nfs/dbraw/zinc/16/03/40/138160340.db2.gz AXWUWDIAJYAVDT-UHFFFAOYSA-N -1 1 347.352 1.947 20 5 EDBDMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(=O)[O-] ZINC000262903501 139311662 /nfs/dbraw/zinc/31/16/62/139311662.db2.gz IFPRUOHUVPHMPB-PSASIEDQSA-N -1 1 332.316 1.654 20 5 EDBDMM COC(=O)[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC(C)C ZINC000444986219 254599203 /nfs/dbraw/zinc/59/92/03/254599203.db2.gz AKNXERNVLGXUGH-SNVBAGLBSA-N -1 1 325.321 1.261 20 5 EDBDMM COc1ccccc1O[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000266449711 139536177 /nfs/dbraw/zinc/53/61/77/139536177.db2.gz CMHLPSLVPUXTRU-SNVBAGLBSA-N -1 1 347.327 1.901 20 5 EDBDMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000271881412 140366351 /nfs/dbraw/zinc/36/63/51/140366351.db2.gz VEPKPPMOWHDHDR-ZDUSSCGKSA-N -1 1 346.380 1.809 20 5 EDBDMM O=C([C@@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000331452528 141032060 /nfs/dbraw/zinc/03/20/60/141032060.db2.gz MPILHLLPXILZQU-CYBMUJFWSA-N -1 1 349.387 1.371 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000363732259 153042227 /nfs/dbraw/zinc/04/22/27/153042227.db2.gz GNHJBKDKTBCMPS-GXTWGEPZSA-N -1 1 349.387 1.531 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000367422790 154115815 /nfs/dbraw/zinc/11/58/15/154115815.db2.gz NHKBDIRNFLMSPP-BXKDBHETSA-N -1 1 348.402 1.273 20 5 EDBDMM O=C(NCC1(c2ccccn2)CCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000367465356 154135291 /nfs/dbraw/zinc/13/52/91/154135291.db2.gz JSGXWWHYLKGSTI-UHFFFAOYSA-N -1 1 328.328 1.942 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000367895173 154315999 /nfs/dbraw/zinc/31/59/99/154315999.db2.gz GIKUKAKYTDWYSE-JTQLQIEISA-N -1 1 337.723 1.633 20 5 EDBDMM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372236009 156280623 /nfs/dbraw/zinc/28/06/23/156280623.db2.gz KPJPGUXMGOYTSR-CQSZACIVSA-N -1 1 339.311 1.938 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000352157974 162019312 /nfs/dbraw/zinc/01/93/12/162019312.db2.gz CDUPTULVFLYMJJ-UHFFFAOYSA-N -1 1 334.288 1.756 20 5 EDBDMM CCC[C@@]1([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCOC1 ZINC000352344874 162130948 /nfs/dbraw/zinc/13/09/48/162130948.db2.gz HECIMDUNKRBMEL-GFCCVEGCSA-N -1 1 332.382 1.049 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000275009759 268263127 /nfs/dbraw/zinc/26/31/27/268263127.db2.gz WWBPDCNVPVSJSG-NXEZZACHSA-N -1 1 336.348 1.215 20 5 EDBDMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000275411795 268338971 /nfs/dbraw/zinc/33/89/71/268338971.db2.gz GWKUCGLKLRWHSB-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM CCOCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281248593 273453152 /nfs/dbraw/zinc/45/31/52/273453152.db2.gz ULHFDIAGWQQMNN-UHFFFAOYSA-N -1 1 326.733 1.702 20 5 EDBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000156297574 281358722 /nfs/dbraw/zinc/35/87/22/281358722.db2.gz NXWSXZMZVGQJAI-SECBINFHSA-N -1 1 332.353 1.970 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000152390967 293155672 /nfs/dbraw/zinc/15/56/72/293155672.db2.gz OSLYKMNDAZRZDV-JTQLQIEISA-N -1 1 334.781 1.952 20 5 EDBDMM C[C@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000296081062 303294343 /nfs/dbraw/zinc/29/43/43/303294343.db2.gz FDGNTGKBMBHLKE-VIFPVBQESA-N -1 1 336.797 1.935 20 5 EDBDMM CN(CCNC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000296904647 303345602 /nfs/dbraw/zinc/34/56/02/303345602.db2.gz JLSSZOXWGUYBFX-UHFFFAOYSA-N -1 1 340.336 1.292 20 5 EDBDMM Cc1cc(Cl)c(C(=O)[N-]N2CC(=O)N(C)C2=O)cc1[N+](=O)[O-] ZINC000297217517 303373909 /nfs/dbraw/zinc/37/39/09/303373909.db2.gz SOLCKOCCDYNKNH-UHFFFAOYSA-N -1 1 326.696 1.095 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOC2(CCOCC2)CC1 ZINC000547428357 306100795 /nfs/dbraw/zinc/10/07/95/306100795.db2.gz YKJQGSHOAJIXMU-UHFFFAOYSA-N -1 1 337.332 1.107 20 5 EDBDMM CO[C@@]1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000074975662 441484424 /nfs/dbraw/zinc/48/44/24/441484424.db2.gz AMEREWFPUJPNON-MFKMUULPSA-N -1 1 329.378 1.472 20 5 EDBDMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119398511 441932910 /nfs/dbraw/zinc/93/29/10/441932910.db2.gz UCKVHNPYFMGPCD-KCJUWKMLSA-N -1 1 336.797 1.934 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000129520313 442321145 /nfs/dbraw/zinc/32/11/45/442321145.db2.gz IKJTVZSZQGDZFD-SECBINFHSA-N -1 1 332.320 1.136 20 5 EDBDMM COc1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1[N+](=O)[O-] ZINC000180259759 442568487 /nfs/dbraw/zinc/56/84/87/442568487.db2.gz HUGLRQKFCZRIRQ-UHFFFAOYSA-N -1 1 327.293 1.938 20 5 EDBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000187351184 442671332 /nfs/dbraw/zinc/67/13/32/442671332.db2.gz DVUWLENHGMTHRG-DGCLKSJQSA-N -1 1 346.391 1.939 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184617943 443050051 /nfs/dbraw/zinc/05/00/51/443050051.db2.gz LOQYIKNDHBPTNZ-LBPRGKRZSA-N -1 1 340.357 1.995 20 5 EDBDMM C[C@@H](CN(C)C(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000413691315 319288483 /nfs/dbraw/zinc/28/84/83/319288483.db2.gz VEMPRVYAWQGPKS-TVYUQYBPSA-N -1 1 330.348 1.474 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C(C)(C)COC(C)C)c([N+](=O)[O-])n1 ZINC000416624634 319451012 /nfs/dbraw/zinc/45/10/12/319451012.db2.gz OSQHFHMOMBFXMW-UHFFFAOYSA-N -1 1 334.398 1.293 20 5 EDBDMM O=C(NCc1cccc2c1OCCCO2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000269395728 443302526 /nfs/dbraw/zinc/30/25/26/443302526.db2.gz YASHXKYLSRYNTK-UHFFFAOYSA-N -1 1 345.311 1.787 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000283035507 443502627 /nfs/dbraw/zinc/50/26/27/443502627.db2.gz YYXIXBGKNZUFLJ-GFCCVEGCSA-N -1 1 345.359 1.345 20 5 EDBDMM Cc1cc(OCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000280939275 443779384 /nfs/dbraw/zinc/77/93/84/443779384.db2.gz YZHYKFSTNZEJCX-SNVBAGLBSA-N -1 1 334.336 1.057 20 5 EDBDMM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277827380 444046204 /nfs/dbraw/zinc/04/62/04/444046204.db2.gz YWHXUWMIVJIKAR-ONGXEEELSA-N -1 1 336.348 1.072 20 5 EDBDMM Cn1cc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cn1 ZINC000278112082 444098348 /nfs/dbraw/zinc/09/83/48/444098348.db2.gz KRINSVCQJNMVOS-UHFFFAOYSA-N -1 1 331.332 1.449 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000567902077 321267792 /nfs/dbraw/zinc/26/77/92/321267792.db2.gz BIJIKNRDTXWINY-LBPRGKRZSA-N -1 1 335.360 1.452 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C)[S@]1=O ZINC000289430113 444141484 /nfs/dbraw/zinc/14/14/84/444141484.db2.gz SVHIICFFYLUOJZ-NRIXWDHQSA-N -1 1 327.362 1.067 20 5 EDBDMM C[C@@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289885109 444215351 /nfs/dbraw/zinc/21/53/51/444215351.db2.gz ORBCKMUGBJSCJC-SSDOTTSWSA-N -1 1 340.760 1.827 20 5 EDBDMM CCn1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000319814546 444325841 /nfs/dbraw/zinc/32/58/41/444325841.db2.gz LCLJIPZMMCUGCK-UHFFFAOYSA-N -1 1 339.329 1.915 20 5 EDBDMM C[C@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290815615 444326456 /nfs/dbraw/zinc/32/64/56/444326456.db2.gz SOFHCOLIPSKATL-SSDOTTSWSA-N -1 1 340.760 1.684 20 5 EDBDMM O=C(NCc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000342126014 444522745 /nfs/dbraw/zinc/52/27/45/444522745.db2.gz KWIDSLJDPWDIJV-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM CCC[C@@H](NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1nn[n-]n1 ZINC000342936603 444952387 /nfs/dbraw/zinc/95/23/87/444952387.db2.gz XXCJVGSQLCBNFV-SNVBAGLBSA-N -1 1 329.320 1.860 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000339204299 445088038 /nfs/dbraw/zinc/08/80/38/445088038.db2.gz VLYCFMJLUIVRGI-VIFPVBQESA-N -1 1 348.315 1.712 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)COc2ccc([N+](=O)[O-])cc2)n1 ZINC000339166411 445068956 /nfs/dbraw/zinc/06/89/56/445068956.db2.gz OXAFPWGCXRLQFE-UHFFFAOYSA-N -1 1 334.288 1.512 20 5 EDBDMM O=C(COc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000339436442 445140608 /nfs/dbraw/zinc/14/06/08/445140608.db2.gz HCIIELCTJCECBR-SNVBAGLBSA-N -1 1 348.315 1.468 20 5 EDBDMM CCOc1ccc([N+](=O)[O-])cc1/C=C/c1cc(=O)n2[n-]cnc2n1 ZINC000352034711 445453151 /nfs/dbraw/zinc/45/31/51/445453151.db2.gz GPIICPDQYCFEAT-ONEGZZNKSA-N -1 1 327.300 1.895 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000352503976 445533872 /nfs/dbraw/zinc/53/38/72/445533872.db2.gz LXCDUEYPGPUNDL-UHFFFAOYSA-N -1 1 346.303 1.036 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3n[n-]c(=O)o3)CC2)n1 ZINC000357682173 445576066 /nfs/dbraw/zinc/57/60/66/445576066.db2.gz CLHJIXMIPOXFPC-UHFFFAOYSA-N -1 1 349.303 1.249 20 5 EDBDMM NC(=O)Nc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000362357901 446333472 /nfs/dbraw/zinc/33/34/72/446333472.db2.gz NQVAYKNSOOKQAN-UHFFFAOYSA-N -1 1 331.288 1.116 20 5 EDBDMM O=C(NCC[C@@H]1COc2ccccc2O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444971538 447151476 /nfs/dbraw/zinc/15/14/76/447151476.db2.gz YPJKCYBKSVKUIM-LLVKDONJSA-N -1 1 345.311 1.655 20 5 EDBDMM COC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000444996424 447153538 /nfs/dbraw/zinc/15/35/38/447153538.db2.gz LCPUFAALBDAQBE-LBPRGKRZSA-N -1 1 335.291 1.952 20 5 EDBDMM C[C@@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000572223408 448317308 /nfs/dbraw/zinc/31/73/08/448317308.db2.gz ATWNDWPHWUTYGX-ZYHUDNBSSA-N -1 1 330.348 1.618 20 5 EDBDMM O=C(N[C@@H]1CC[C@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590764902 449284360 /nfs/dbraw/zinc/28/43/60/449284360.db2.gz VGLXIJXGINEBLV-KSBSHMNSSA-N -1 1 335.238 1.271 20 5 EDBDMM NC(=O)c1cc(N2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000596224219 449424164 /nfs/dbraw/zinc/42/41/64/449424164.db2.gz CIBLGJRGURTLER-QMMMGPOBSA-N -1 1 333.304 1.166 20 5 EDBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600704078 449504742 /nfs/dbraw/zinc/50/47/42/449504742.db2.gz SDXRPHHQGBZNOW-GYSYKLTISA-N -1 1 335.360 1.964 20 5 EDBDMM CC(C)c1nnc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[nH]1 ZINC000594766034 449679126 /nfs/dbraw/zinc/67/91/26/449679126.db2.gz JGFUGARUURXAFI-QMMMGPOBSA-N -1 1 340.365 1.271 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCc2ccco2)c([N+](=O)[O-])n1 ZINC000595376487 450090126 /nfs/dbraw/zinc/09/01/26/450090126.db2.gz IUUUGBQHROFKQW-UHFFFAOYSA-N -1 1 328.350 1.315 20 5 EDBDMM O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610861291 450358627 /nfs/dbraw/zinc/35/86/27/450358627.db2.gz XEIRLDFWVQSHBU-ZDUSSCGKSA-N -1 1 348.359 1.359 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(Cl)ccn1 ZINC000779925654 578278684 /nfs/dbraw/zinc/27/86/84/578278684.db2.gz JBIQTYYBEQBQPD-UHFFFAOYSA-N -1 1 328.737 1.517 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOC[C@H]1CCCO1 ZINC000734499091 578819301 /nfs/dbraw/zinc/81/93/01/578819301.db2.gz HBDRWOGYRMOMFY-SNVBAGLBSA-N -1 1 348.352 1.208 20 5 EDBDMM Cc1c(NC(=O)[C@H](C)N(C)CCCNC(=O)[O-])cccc1[N+](=O)[O-] ZINC000740046763 579283719 /nfs/dbraw/zinc/28/37/19/579283719.db2.gz SDSLDINBUFFHHO-NSHDSACASA-N -1 1 338.364 1.820 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccc(F)n1 ZINC000747904510 579662572 /nfs/dbraw/zinc/66/25/72/579662572.db2.gz IZAIJXQIKHJGMZ-UHFFFAOYSA-N -1 1 329.284 1.747 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000778020855 580455071 /nfs/dbraw/zinc/45/50/71/580455071.db2.gz VEMBSGJUVMQEJA-SSDOTTSWSA-N -1 1 344.324 1.773 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)nc2)c([N+](=O)[O-])n1 ZINC000754793716 579912467 /nfs/dbraw/zinc/91/24/67/579912467.db2.gz WRGUMLCNOXTNKR-UHFFFAOYSA-N -1 1 345.768 1.338 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000759024866 579997088 /nfs/dbraw/zinc/99/70/88/579997088.db2.gz JFHUKSGOGCUAOH-SNVBAGLBSA-N -1 1 342.295 1.592 20 5 EDBDMM COc1ccc(C(=O)[N-]C(=O)Cn2cc([N+](=O)[O-])c(C)cc2=O)cc1 ZINC000761861031 580062739 /nfs/dbraw/zinc/06/27/39/580062739.db2.gz MAEYYBLIKLQPMI-UHFFFAOYSA-N -1 1 345.311 1.030 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000770276797 580257109 /nfs/dbraw/zinc/25/71/09/580257109.db2.gz RONBWCXKBICAQK-JTQLQIEISA-N -1 1 346.361 1.807 20 5 EDBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1 ZINC000780067391 580510814 /nfs/dbraw/zinc/51/08/14/580510814.db2.gz GIYGXLLVJALZSA-RNCFNFMXSA-N -1 1 338.316 1.141 20 5 EDBDMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000912530518 593103418 /nfs/dbraw/zinc/10/34/18/593103418.db2.gz NVNXWJQADMIFIQ-UHFFFAOYSA-N -1 1 341.301 1.181 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000866998249 593244135 /nfs/dbraw/zinc/24/41/35/593244135.db2.gz BDBNZUXLMKOFEN-LLVKDONJSA-N -1 1 332.353 1.746 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H](O)c1ccccc1 ZINC000808339293 593252022 /nfs/dbraw/zinc/25/20/22/593252022.db2.gz BFQZEQIZPKHIHX-GXFFZTMASA-N -1 1 337.357 1.390 20 5 EDBDMM C[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015617 593609742 /nfs/dbraw/zinc/60/97/42/593609742.db2.gz NMGSKAXKSWOKDB-LURJTMIESA-N -1 1 326.733 1.437 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCO[C@@H]1CCCCO1 ZINC000820720414 593871277 /nfs/dbraw/zinc/87/12/77/593871277.db2.gz KQLWBOJHISCXLH-GFCCVEGCSA-N -1 1 348.352 1.555 20 5 EDBDMM Cc1cccc([N+](=O)[O-])c1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822332742 594033177 /nfs/dbraw/zinc/03/31/77/594033177.db2.gz RYFDWTRSXZMVDA-UHFFFAOYSA-N -1 1 343.351 1.433 20 5 EDBDMM Cc1cccc([N+](=O)[O-])c1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822332742 594033179 /nfs/dbraw/zinc/03/31/79/594033179.db2.gz RYFDWTRSXZMVDA-UHFFFAOYSA-N -1 1 343.351 1.433 20 5 EDBDMM Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nnn[n-]1 ZINC000822530508 594063383 /nfs/dbraw/zinc/06/33/83/594063383.db2.gz DVKDVDAGWFTDDY-UHFFFAOYSA-N -1 1 345.344 1.816 20 5 EDBDMM Cc1nsc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000822530508 594063384 /nfs/dbraw/zinc/06/33/84/594063384.db2.gz DVKDVDAGWFTDDY-UHFFFAOYSA-N -1 1 345.344 1.816 20 5 EDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000823082387 594150370 /nfs/dbraw/zinc/15/03/70/594150370.db2.gz GQCIYKSDAOFAMS-UHFFFAOYSA-N -1 1 340.299 1.456 20 5 EDBDMM O=C(Cc1ccc([N+](=O)[O-])cc1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000823082387 594150371 /nfs/dbraw/zinc/15/03/71/594150371.db2.gz GQCIYKSDAOFAMS-UHFFFAOYSA-N -1 1 340.299 1.456 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](CO)c1ccccc1 ZINC000823620380 594221767 /nfs/dbraw/zinc/22/17/67/594221767.db2.gz KLTAMFDCALFEOX-LLVKDONJSA-N -1 1 341.331 1.358 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](CO)c1ccccc1 ZINC000823620380 594221768 /nfs/dbraw/zinc/22/17/68/594221768.db2.gz KLTAMFDCALFEOX-LLVKDONJSA-N -1 1 341.331 1.358 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOC[C@H]1CCOC1 ZINC000823624552 594222485 /nfs/dbraw/zinc/22/24/85/594222485.db2.gz CIVWRQUVSIHGGW-SNVBAGLBSA-N -1 1 349.351 1.025 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOC[C@H]1CCOC1 ZINC000823624552 594222486 /nfs/dbraw/zinc/22/24/86/594222486.db2.gz CIVWRQUVSIHGGW-SNVBAGLBSA-N -1 1 349.351 1.025 20 5 EDBDMM Cc1n[nH]c(C(=O)N2CCC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000829833119 594273173 /nfs/dbraw/zinc/27/31/73/594273173.db2.gz GLOMULRMNHTNPP-VXNVDRBHSA-N -1 1 325.325 1.135 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000828020810 594323593 /nfs/dbraw/zinc/32/35/93/594323593.db2.gz XEOMONQFYLAHQK-LRDDRELGSA-N -1 1 347.327 1.023 20 5 EDBDMM COc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1[N+](=O)[O-] ZINC000826209548 594380141 /nfs/dbraw/zinc/38/01/41/594380141.db2.gz HMUPHBDUFPGVQN-UHFFFAOYSA-N -1 1 341.287 1.431 20 5 EDBDMM COc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)cc1[N+](=O)[O-] ZINC000826209548 594380143 /nfs/dbraw/zinc/38/01/43/594380143.db2.gz HMUPHBDUFPGVQN-UHFFFAOYSA-N -1 1 341.287 1.431 20 5 EDBDMM CN1CCN(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000830954924 594523635 /nfs/dbraw/zinc/52/36/35/594523635.db2.gz RMHZWBKWNPDMIW-UHFFFAOYSA-N -1 1 342.783 1.606 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCn2ccnc21 ZINC000831738426 594697913 /nfs/dbraw/zinc/69/79/13/594697913.db2.gz MBMKXLMVSYOYND-SECBINFHSA-N -1 1 342.764 1.868 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@@H]2CCOC2)cc1F ZINC000867095087 594871014 /nfs/dbraw/zinc/87/10/14/594871014.db2.gz WYJXYDFMLPLAJD-SNVBAGLBSA-N -1 1 332.353 1.747 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2=CCOCC2)cc1F ZINC000867330438 595163085 /nfs/dbraw/zinc/16/30/85/595163085.db2.gz ZBYAPWZEHYGFKY-UHFFFAOYSA-N -1 1 330.337 1.667 20 5 EDBDMM CC(C)(CO)N1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844210778 595302890 /nfs/dbraw/zinc/30/28/90/595302890.db2.gz IAODEOOUAKZZTQ-UHFFFAOYSA-N -1 1 337.376 1.115 20 5 EDBDMM CC1(C)CN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCN1CCO ZINC000844214339 595303860 /nfs/dbraw/zinc/30/38/60/595303860.db2.gz FCARQQJEBYAMEK-UHFFFAOYSA-N -1 1 337.376 1.115 20 5 EDBDMM Cc1nnc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)o1 ZINC000848580855 595408405 /nfs/dbraw/zinc/40/84/05/595408405.db2.gz GZIQINJSDOZRDV-UHFFFAOYSA-N -1 1 328.231 1.574 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1nnc2n1CCC2 ZINC000119736900 596729650 /nfs/dbraw/zinc/72/96/50/596729650.db2.gz BOVHBBGKMBQQCJ-SSDOTTSWSA-N -1 1 343.390 1.234 20 5 EDBDMM CCN1CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000882766795 598049300 /nfs/dbraw/zinc/04/93/00/598049300.db2.gz RCMWFKKQXPDLNT-JTQLQIEISA-N -1 1 333.797 1.621 20 5 EDBDMM CCCn1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cn1 ZINC000174746735 695404728 /nfs/dbraw/zinc/40/47/28/695404728.db2.gz ZUJUTQNINWYIHK-UHFFFAOYSA-N -1 1 326.334 1.708 20 5 EDBDMM C[S@](=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000435620683 305143699 /nfs/dbraw/zinc/14/36/99/305143699.db2.gz FBYAYUOHAAUVPX-IBGZPJMESA-N -1 1 338.432 1.236 20 5 EDBDMM O=C(NCc1ccnc(N2CCCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186846823 236040596 /nfs/dbraw/zinc/04/05/96/236040596.db2.gz ZNFAXDXXZKHRPA-UHFFFAOYSA-N -1 1 343.343 1.621 20 5 EDBDMM Cc1cc([C@](C)(O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)o1 ZINC000187123078 236124392 /nfs/dbraw/zinc/12/43/92/236124392.db2.gz CJWGUXVRYDWYRU-OAHLLOKOSA-N -1 1 335.316 1.543 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2O ZINC000565283096 306380183 /nfs/dbraw/zinc/38/01/83/306380183.db2.gz FPCXEXZANONAMI-LLVKDONJSA-N -1 1 335.341 1.661 20 5 EDBDMM CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000223592398 139021199 /nfs/dbraw/zinc/02/11/99/139021199.db2.gz CKORDFDWKBPHPA-IONNQARKSA-N -1 1 338.382 1.125 20 5 EDBDMM C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC(=O)[O-] ZINC000262639291 139292184 /nfs/dbraw/zinc/29/21/84/139292184.db2.gz IQBQEDXKQYYZOM-MRVPVSSYSA-N -1 1 329.740 1.982 20 5 EDBDMM C[S@@](=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000116902177 221009335 /nfs/dbraw/zinc/00/93/35/221009335.db2.gz OELQSXRTUBLFEB-IBGZPJMESA-N -1 1 340.810 1.295 20 5 EDBDMM CCOC(=O)Cc1nnc([N-]C(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000269823139 140000957 /nfs/dbraw/zinc/00/09/57/140000957.db2.gz WSKNOZMCMROWRD-UHFFFAOYSA-N -1 1 342.358 1.866 20 5 EDBDMM CCC[C@]1([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCOC1 ZINC000352344875 162130309 /nfs/dbraw/zinc/13/03/09/162130309.db2.gz HECIMDUNKRBMEL-LBPRGKRZSA-N -1 1 332.382 1.049 20 5 EDBDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@]12CCCO2 ZINC000273678113 268070200 /nfs/dbraw/zinc/07/02/00/268070200.db2.gz YPMGQKPCDRJWMN-LALPHHSUSA-N -1 1 337.332 1.152 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 ZINC000274863595 268225874 /nfs/dbraw/zinc/22/58/74/268225874.db2.gz BMHDRTUQSQOSGI-SECBINFHSA-N -1 1 345.311 1.958 20 5 EDBDMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000279242605 273287820 /nfs/dbraw/zinc/28/78/20/273287820.db2.gz UARMXCNCGGATGR-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](C)CO ZINC000290707622 288940554 /nfs/dbraw/zinc/94/05/54/288940554.db2.gz JDSOZFXLRXGTKY-RNFRBKRXSA-N -1 1 340.760 1.683 20 5 EDBDMM CN1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC1=O ZINC000160103529 290309237 /nfs/dbraw/zinc/30/92/37/290309237.db2.gz QDGISNSBVIWJLY-MRVPVSSYSA-N -1 1 347.780 1.147 20 5 EDBDMM Cc1nc(N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000295692754 303253235 /nfs/dbraw/zinc/25/32/35/303253235.db2.gz OSGSHJYZJSMDDY-SECBINFHSA-N -1 1 347.297 1.588 20 5 EDBDMM CC(C)CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](C)C1=O ZINC000445212358 305258132 /nfs/dbraw/zinc/25/81/32/305258132.db2.gz LWOBMVMCVUKNKD-SNVBAGLBSA-N -1 1 336.348 1.024 20 5 EDBDMM C[C@@H](CCc1cccn1C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000514766065 305704511 /nfs/dbraw/zinc/70/45/11/305704511.db2.gz DCOHIXWAOYWDBE-NSHDSACASA-N -1 1 338.389 1.628 20 5 EDBDMM Cc1ncsc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000104745482 441203907 /nfs/dbraw/zinc/20/39/07/441203907.db2.gz LEFVETDMEZREHV-UHFFFAOYSA-N -1 1 331.350 1.977 20 5 EDBDMM CCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000030123287 441484304 /nfs/dbraw/zinc/48/43/04/441484304.db2.gz RPKHUVAOFRHHGL-UHFFFAOYSA-N -1 1 331.328 1.750 20 5 EDBDMM COc1ccccc1OCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031246006 441518455 /nfs/dbraw/zinc/51/84/55/441518455.db2.gz NFPWTJAXVHXWPZ-UHFFFAOYSA-N -1 1 333.300 1.101 20 5 EDBDMM Cc1n[nH]c(C(=O)NCCc2n[n-]c(=S)n2C(C)C)c1[N+](=O)[O-] ZINC000067073298 441602968 /nfs/dbraw/zinc/60/29/68/441602968.db2.gz DYAKGGNXKQPNRI-UHFFFAOYSA-N -1 1 339.381 1.434 20 5 EDBDMM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000136639479 441709228 /nfs/dbraw/zinc/70/92/28/441709228.db2.gz DVKMPKXGZJEPOT-JTQLQIEISA-N -1 1 335.280 1.287 20 5 EDBDMM CCC[C@@H](NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000176785355 442257331 /nfs/dbraw/zinc/25/73/31/442257331.db2.gz GEJZFMNCMICHLG-GFCCVEGCSA-N -1 1 345.363 1.953 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2cccs2)C1 ZINC000134350644 442472137 /nfs/dbraw/zinc/47/21/37/442472137.db2.gz PHTKJANAPBNFLL-NSHDSACASA-N -1 1 335.341 1.971 20 5 EDBDMM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H](c2ccccc2)C1 ZINC000186812780 442616213 /nfs/dbraw/zinc/61/62/13/442616213.db2.gz LVXNUPUWLIMFNT-HNNXBMFYSA-N -1 1 342.355 1.824 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000183808585 442966374 /nfs/dbraw/zinc/96/63/74/442966374.db2.gz BLDGZQJVTANXTC-NXEZZACHSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C(NCc1nc(-c2cccs2)no1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195328387 443011322 /nfs/dbraw/zinc/01/13/22/443011322.db2.gz XGXLFYQHSPTXOG-UHFFFAOYSA-N -1 1 347.312 1.737 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278744943 443423090 /nfs/dbraw/zinc/42/30/90/443423090.db2.gz MZKSXXPYKYRHOY-QWRGUYRKSA-N -1 1 348.352 1.206 20 5 EDBDMM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290959706 443721809 /nfs/dbraw/zinc/72/18/09/443721809.db2.gz PXWOQUICHYSRRI-CXAGYDPISA-N -1 1 343.339 1.591 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000545926613 320805470 /nfs/dbraw/zinc/80/54/70/320805470.db2.gz JGHOQSJWTDJFHB-TZMCWYRMSA-N -1 1 341.389 1.473 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)Nc1nn[nH]c1C(=O)NC1CC1 ZINC000297870431 444343882 /nfs/dbraw/zinc/34/38/82/444343882.db2.gz ZNLQRSHKZDHENI-UHFFFAOYSA-N -1 1 344.331 1.176 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000340368150 444380961 /nfs/dbraw/zinc/38/09/61/444380961.db2.gz BQIJYCRTKIELFN-UHFFFAOYSA-N -1 1 347.356 1.359 20 5 EDBDMM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341011371 444630736 /nfs/dbraw/zinc/63/07/36/444630736.db2.gz FRMMWPHTNWVIGP-BQBZGAKWSA-N -1 1 326.421 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCC2(OC)CCC2)c([N+](=O)[O-])n1 ZINC000339007141 444981416 /nfs/dbraw/zinc/98/14/16/444981416.db2.gz NBSVFIIEBDKTFW-UHFFFAOYSA-N -1 1 332.382 1.049 20 5 EDBDMM O=C(Nc1ccc(-n2nn[n-]c2=O)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000356992969 445365194 /nfs/dbraw/zinc/36/51/94/445365194.db2.gz CDJTVDJZLKODHR-UHFFFAOYSA-N -1 1 342.271 1.234 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000357238318 445500014 /nfs/dbraw/zinc/50/00/14/445500014.db2.gz XUGYKBUENOEOSK-UHFFFAOYSA-N -1 1 326.334 1.327 20 5 EDBDMM C[C@@](CO)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000360274538 445670937 /nfs/dbraw/zinc/67/09/37/445670937.db2.gz LQPSBRPYQMWTQF-KRWDZBQOSA-N -1 1 345.355 1.667 20 5 EDBDMM CCC(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000583420299 326068539 /nfs/dbraw/zinc/06/85/39/326068539.db2.gz MVMGPQIQLNHQLX-UHFFFAOYSA-N -1 1 344.327 1.974 20 5 EDBDMM CCNC(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361909857 446058360 /nfs/dbraw/zinc/05/83/60/446058360.db2.gz COENIGFWFUDUIK-UHFFFAOYSA-N -1 1 344.327 1.375 20 5 EDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373601583 446278257 /nfs/dbraw/zinc/27/82/57/446278257.db2.gz AFIJZQLKRWBKDH-MEBBXXQBSA-N -1 1 337.332 1.106 20 5 EDBDMM CCOC(=O)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000426689932 447491907 /nfs/dbraw/zinc/49/19/07/447491907.db2.gz XPJKUKPULLRYFI-CYBMUJFWSA-N -1 1 345.311 1.730 20 5 EDBDMM O=C1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]2CCCCN12 ZINC000416516685 447634216 /nfs/dbraw/zinc/63/42/16/447634216.db2.gz QIOVSUMAUWHBJJ-RKDXNWHRSA-N -1 1 345.402 1.088 20 5 EDBDMM CC(C)OC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530428522 447884450 /nfs/dbraw/zinc/88/44/50/447884450.db2.gz RTZVWRWWGPDQQI-SNVBAGLBSA-N -1 1 345.377 1.388 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(F)cc1 ZINC000525086664 447967587 /nfs/dbraw/zinc/96/75/87/447967587.db2.gz ZHSYNIIJIUGVDS-UHFFFAOYSA-N -1 1 325.321 1.650 20 5 EDBDMM CC(C)C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000538539753 448589133 /nfs/dbraw/zinc/58/91/33/448589133.db2.gz XPOBCUHSIDZADM-RYUDHWBXSA-N -1 1 343.405 1.862 20 5 EDBDMM O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000600126990 449204691 /nfs/dbraw/zinc/20/46/91/449204691.db2.gz UCGXJXBTFQROLR-UHFFFAOYSA-N -1 1 345.359 1.779 20 5 EDBDMM O=C([O-])C1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000610853127 450355692 /nfs/dbraw/zinc/35/56/92/450355692.db2.gz GHKKFWZFUCWEHL-UHFFFAOYSA-N -1 1 332.316 1.846 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000613914027 450357376 /nfs/dbraw/zinc/35/73/76/450357376.db2.gz MCHPABCSRKCGCP-AWEZNQCLSA-N -1 1 349.387 1.627 20 5 EDBDMM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000353410255 535873859 /nfs/dbraw/zinc/87/38/59/535873859.db2.gz GSZANEZLWXKIBG-GXFFZTMASA-N -1 1 344.389 1.602 20 5 EDBDMM C[C@H](CN(C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736571585 579001305 /nfs/dbraw/zinc/00/13/05/579001305.db2.gz KVSDJSYGEQROMA-MRVPVSSYSA-N -1 1 329.740 1.839 20 5 EDBDMM C[C@@H]1C[C@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736758214 579018052 /nfs/dbraw/zinc/01/80/52/579018052.db2.gz BZBWJYCFGOLORS-ZWNOBZJWSA-N -1 1 335.360 1.848 20 5 EDBDMM O=C([O-])[C@@H]1CCCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000739581994 579221103 /nfs/dbraw/zinc/22/11/03/579221103.db2.gz BTUDZYJYBZOPAK-GFCCVEGCSA-N -1 1 331.332 1.607 20 5 EDBDMM CC(=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752105014 579838563 /nfs/dbraw/zinc/83/85/63/579838563.db2.gz SIULOMFDYVDAGH-KJJQSCHISA-N -1 1 344.331 1.111 20 5 EDBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000759168193 580000056 /nfs/dbraw/zinc/00/00/56/580000056.db2.gz MVBZZFNHCUHOIY-UHFFFAOYSA-N -1 1 348.262 1.713 20 5 EDBDMM CCc1ncc(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])s1 ZINC000763375176 580098910 /nfs/dbraw/zinc/09/89/10/580098910.db2.gz WQMPTJXBFFFWFU-UHFFFAOYSA-N -1 1 329.363 1.314 20 5 EDBDMM Cn1[n-]c(COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)nc1=O ZINC000765420757 580141767 /nfs/dbraw/zinc/14/17/67/580141767.db2.gz WUHIHJYIAKNZMZ-UHFFFAOYSA-N -1 1 334.332 1.671 20 5 EDBDMM COc1cc[n-]c(=NNS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)n1 ZINC000767453518 580190186 /nfs/dbraw/zinc/19/01/86/580190186.db2.gz GLJNPHIYRWFHNG-UHFFFAOYSA-N -1 1 345.362 1.069 20 5 EDBDMM CN(Cc1cccc(C(N)=O)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770257160 580256706 /nfs/dbraw/zinc/25/67/06/580256706.db2.gz OBPURQPMSJDFCY-UHFFFAOYSA-N -1 1 330.300 1.067 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)OCCC[N-]C(=O)C(F)(F)F ZINC000774963253 580379144 /nfs/dbraw/zinc/37/91/44/580379144.db2.gz QUQXGHRWMNOUFA-UHFFFAOYSA-N -1 1 334.250 1.749 20 5 EDBDMM COc1ccccc1[C@@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000788642393 580726857 /nfs/dbraw/zinc/72/68/57/580726857.db2.gz OTEKPIJYODZNLV-LBPRGKRZSA-N -1 1 333.300 1.167 20 5 EDBDMM Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000807690682 593190804 /nfs/dbraw/zinc/19/08/04/593190804.db2.gz FBRULWDQMYLQDG-HZMBPMFUSA-N -1 1 331.328 1.856 20 5 EDBDMM COC(=O)C[C@H](C)SCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840196328 593391502 /nfs/dbraw/zinc/39/15/02/593391502.db2.gz KKHIWMNFTDVMNI-VIFPVBQESA-N -1 1 340.357 1.536 20 5 EDBDMM CC(=O)OCCCSCC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000840207255 593426005 /nfs/dbraw/zinc/42/60/05/593426005.db2.gz TXHWXFTYVSYKGS-UHFFFAOYSA-N -1 1 340.357 1.538 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@@H](CO)C1CC1 ZINC000815017072 593609972 /nfs/dbraw/zinc/60/99/72/593609972.db2.gz FJULYASKXQZJLX-VIFPVBQESA-N -1 1 338.744 1.437 20 5 EDBDMM CC(C)[C@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCO1 ZINC000824215578 593958552 /nfs/dbraw/zinc/95/85/52/593958552.db2.gz LNQHKGRDVIHTDZ-MWLCHTKSSA-N -1 1 333.352 1.785 20 5 EDBDMM CC(C)[C@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCO1 ZINC000824215578 593958553 /nfs/dbraw/zinc/95/85/53/593958553.db2.gz LNQHKGRDVIHTDZ-MWLCHTKSSA-N -1 1 333.352 1.785 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)[O-])C[C@H]2C)c1[N+](=O)[O-] ZINC000824453712 594015941 /nfs/dbraw/zinc/01/59/41/594015941.db2.gz UEBSEPKDOXRELB-MRVPVSSYSA-N -1 1 325.325 1.266 20 5 EDBDMM Cc1cccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000822289133 594025273 /nfs/dbraw/zinc/02/52/73/594025273.db2.gz SASCGPVKYCVBLZ-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1cccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000822289133 594025275 /nfs/dbraw/zinc/02/52/75/594025275.db2.gz SASCGPVKYCVBLZ-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cn1c(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])ccc1[N+](=O)[O-] ZINC000822596433 594071511 /nfs/dbraw/zinc/07/15/11/594071511.db2.gz JJQLPFLFOUNVIE-UHFFFAOYSA-N -1 1 329.276 1.071 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(O)cc1 ZINC000823625144 594222515 /nfs/dbraw/zinc/22/25/15/594222515.db2.gz QIYOTOLYCTUYOF-UHFFFAOYSA-N -1 1 327.304 1.530 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(O)cc1 ZINC000823625144 594222516 /nfs/dbraw/zinc/22/25/16/594222516.db2.gz QIYOTOLYCTUYOF-UHFFFAOYSA-N -1 1 327.304 1.530 20 5 EDBDMM CCOC[C@@H](C(=O)[O-])N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000829978656 594305834 /nfs/dbraw/zinc/30/58/34/594305834.db2.gz MHUVOXAECFMFNM-QMMMGPOBSA-N -1 1 328.325 1.003 20 5 EDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827355588 594664166 /nfs/dbraw/zinc/66/41/66/594664166.db2.gz KQMZKOTWQMLDIB-IRBQFCFKSA-N -1 1 347.371 1.615 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1(Cl)Cl ZINC000832149092 594730341 /nfs/dbraw/zinc/73/03/41/594730341.db2.gz VETHRLZOBOGZCF-VIFPVBQESA-N -1 1 340.188 1.852 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nccn1C ZINC000851856605 595949209 /nfs/dbraw/zinc/94/92/09/595949209.db2.gz WEHMGZIBHLWKMF-QMMMGPOBSA-N -1 1 328.325 1.507 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)c2ccccc2)s1 ZINC000120844611 596755832 /nfs/dbraw/zinc/75/58/32/596755832.db2.gz FYPMUGGKENUGHI-SNVBAGLBSA-N -1 1 328.371 1.668 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3CCC[C@H]3O2)s1 ZINC000872559506 596964751 /nfs/dbraw/zinc/96/47/51/596964751.db2.gz XROXVYPAZUURRD-LPEHRKFASA-N -1 1 332.403 1.892 20 5 EDBDMM CCCc1n[nH]c(C(=O)N2CCC(CNC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000739375182 602419001 /nfs/dbraw/zinc/41/90/01/602419001.db2.gz CZVGYWAPVPVHFJ-UHFFFAOYSA-N -1 1 339.352 1.390 20 5 EDBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] ZINC000058497311 138160159 /nfs/dbraw/zinc/16/01/59/138160159.db2.gz PFLLGADRXFTSAK-UHFFFAOYSA-N -1 1 347.352 1.947 20 5 EDBDMM C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187184233 236139834 /nfs/dbraw/zinc/13/98/34/236139834.db2.gz AYTOFPGJYXXWTA-IINYFYTJSA-N -1 1 331.328 1.937 20 5 EDBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC(C)C ZINC000564648240 306361930 /nfs/dbraw/zinc/36/19/30/306361930.db2.gz XJMYKWFLTGMJDU-JTQLQIEISA-N -1 1 345.377 1.103 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)OC)c([N+](=O)[O-])n1 ZINC000416651247 251094570 /nfs/dbraw/zinc/09/45/70/251094570.db2.gz RMRZDXTUDPJLSL-JTQLQIEISA-N -1 1 334.398 1.151 20 5 EDBDMM CNc1nc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000425296114 252304475 /nfs/dbraw/zinc/30/44/75/252304475.db2.gz GOTXGBWULIDOIG-QMMMGPOBSA-N -1 1 348.319 1.140 20 5 EDBDMM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000263389729 139339466 /nfs/dbraw/zinc/33/94/66/139339466.db2.gz YNMOTKUEVHFRPL-DTWKUNHWSA-N -1 1 332.316 1.654 20 5 EDBDMM Cc1c(CC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000332477922 141188085 /nfs/dbraw/zinc/18/80/85/141188085.db2.gz YFSHKAISZZYIPZ-GFCCVEGCSA-N -1 1 346.343 1.941 20 5 EDBDMM Cc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccc3F)n2)c1[N+](=O)[O-] ZINC000345662094 143118130 /nfs/dbraw/zinc/11/81/30/143118130.db2.gz LWLKYQFYHRKNJJ-UHFFFAOYSA-N -1 1 331.267 1.803 20 5 EDBDMM CC(C)(CO)[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000572746091 306598384 /nfs/dbraw/zinc/59/83/84/306598384.db2.gz FNZAVIMRZCIHQD-LLVKDONJSA-N -1 1 329.378 1.065 20 5 EDBDMM CC1(C(=O)[O-])CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC1 ZINC000364174830 153163666 /nfs/dbraw/zinc/16/36/66/153163666.db2.gz XZFLETKDRXPIFR-UHFFFAOYSA-N -1 1 332.316 1.798 20 5 EDBDMM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1F ZINC000367779227 154267943 /nfs/dbraw/zinc/26/79/43/154267943.db2.gz MVRMDSSWWLDUET-DCQANWLSSA-N -1 1 340.282 1.257 20 5 EDBDMM CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000127045940 287432207 /nfs/dbraw/zinc/43/22/07/287432207.db2.gz SNAAFBXLVBFWGS-UHFFFAOYSA-N -1 1 345.359 1.867 20 5 EDBDMM O=C(NC[C@H](O)CCc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000273361241 268034662 /nfs/dbraw/zinc/03/46/62/268034662.db2.gz DIJDYCSCPRLRSC-CYBMUJFWSA-N -1 1 331.328 1.419 20 5 EDBDMM CC(C)N1C(=S)N=NC1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274958074 268249639 /nfs/dbraw/zinc/24/96/39/268249639.db2.gz KBZYWLTVRAXTJK-UHFFFAOYSA-N -1 1 338.349 1.087 20 5 EDBDMM CC(C)C(=O)N1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274974223 268254132 /nfs/dbraw/zinc/25/41/32/268254132.db2.gz ODRNEPVTAFAUFE-UHFFFAOYSA-N -1 1 336.348 1.026 20 5 EDBDMM COCC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)ccc21 ZINC000275102086 268281717 /nfs/dbraw/zinc/28/17/17/268281717.db2.gz DKTKRFHLFKAFLS-UHFFFAOYSA-N -1 1 344.327 1.711 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000282917762 273739489 /nfs/dbraw/zinc/73/94/89/273739489.db2.gz NMUKNPXKXUOSQJ-SNVBAGLBSA-N -1 1 331.332 1.334 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CCCCO)c(Cl)cc1Cl ZINC000289913844 288802291 /nfs/dbraw/zinc/80/22/91/288802291.db2.gz QHLXJWYFMVRMHQ-UHFFFAOYSA-N -1 1 343.188 1.952 20 5 EDBDMM C[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290707609 288940379 /nfs/dbraw/zinc/94/03/79/288940379.db2.gz JDSOZFXLRXGTKY-NKWVEPMBSA-N -1 1 340.760 1.683 20 5 EDBDMM C[C@@H](CCO)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000296081055 303294446 /nfs/dbraw/zinc/29/44/46/303294446.db2.gz FDGNTGKBMBHLKE-SECBINFHSA-N -1 1 336.797 1.935 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](O)C(F)F ZINC000451703585 305363296 /nfs/dbraw/zinc/36/32/96/305363296.db2.gz BHLDHTWFPAORGC-XNCJUZBTSA-N -1 1 330.334 1.339 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000515573910 305724539 /nfs/dbraw/zinc/72/45/39/305724539.db2.gz YGIRRVQZGKBCHT-VIFPVBQESA-N -1 1 340.361 1.943 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@@H]1CCCCO1 ZINC000546182504 306091980 /nfs/dbraw/zinc/09/19/80/306091980.db2.gz DURWVMFPFGNRAP-NSHDSACASA-N -1 1 329.378 1.617 20 5 EDBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000107310346 441408317 /nfs/dbraw/zinc/40/83/17/441408317.db2.gz WRESKRPQCAQLSN-UHFFFAOYSA-N -1 1 343.336 1.860 20 5 EDBDMM CCN1CCN([C@H]2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])C2)CC1 ZINC000133485380 442420758 /nfs/dbraw/zinc/42/07/58/442420758.db2.gz FSDIEFFWHUZJNM-ZDUSSCGKSA-N -1 1 348.403 1.152 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CC[C@H](O)C1 ZINC000188333873 442740713 /nfs/dbraw/zinc/74/07/13/442740713.db2.gz CWANAXRHAFBZDO-SCZZXKLOSA-N -1 1 334.781 1.688 20 5 EDBDMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188449597 442751534 /nfs/dbraw/zinc/75/15/34/442751534.db2.gz IPORDKHUXZCTLT-QMMMGPOBSA-N -1 1 349.796 1.393 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2ccsc2)C1 ZINC000193694497 442767919 /nfs/dbraw/zinc/76/79/19/442767919.db2.gz RMPKIFIYGGIETL-LBPRGKRZSA-N -1 1 335.341 1.971 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C[C@@H](C)O ZINC000182738708 442816393 /nfs/dbraw/zinc/81/63/93/442816393.db2.gz HWQQQPVFEVRTTC-DGCLKSJQSA-N -1 1 337.376 1.218 20 5 EDBDMM CC(C)CN1CCO[C@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000184920337 443098669 /nfs/dbraw/zinc/09/86/69/443098669.db2.gz DPSVTCUWVWTFON-CYBMUJFWSA-N -1 1 337.376 1.387 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC(F)F ZINC000190962250 443214905 /nfs/dbraw/zinc/21/49/05/443214905.db2.gz HRZYLPFDDQGLQT-UHFFFAOYSA-N -1 1 344.723 1.808 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)OCC2CC2)c([N+](=O)[O-])n1 ZINC000416595768 319448964 /nfs/dbraw/zinc/44/89/64/319448964.db2.gz MAXWHCKHBPBGPU-UHFFFAOYSA-N -1 1 346.409 1.295 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCOCC1CC1 ZINC000264533801 443316121 /nfs/dbraw/zinc/31/61/21/443316121.db2.gz YKVZFFOEJRCLMM-UHFFFAOYSA-N -1 1 334.781 1.953 20 5 EDBDMM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000547331558 320824107 /nfs/dbraw/zinc/82/41/07/320824107.db2.gz LQLRBHFRFIQYMP-VXGBXAGGSA-N -1 1 343.405 1.860 20 5 EDBDMM Cn1cc([C@@H]2CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000580343872 322040078 /nfs/dbraw/zinc/04/00/78/322040078.db2.gz AXUUZXIWAYAUBF-LBPRGKRZSA-N -1 1 345.359 1.695 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000339046051 445006771 /nfs/dbraw/zinc/00/67/71/445006771.db2.gz VIHMUPKBSIRUFL-UHFFFAOYSA-N -1 1 336.373 1.779 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000339188263 445080751 /nfs/dbraw/zinc/08/07/51/445080751.db2.gz INGGWZOLHTYJKK-UHFFFAOYSA-N -1 1 348.315 1.712 20 5 EDBDMM Cc1ccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000349056465 445490028 /nfs/dbraw/zinc/49/00/28/445490028.db2.gz QMIJSOZWZBTDMV-UHFFFAOYSA-N -1 1 344.327 1.164 20 5 EDBDMM CCC[C@@H](NC(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000362947432 445622479 /nfs/dbraw/zinc/62/24/79/445622479.db2.gz AHOPDRCLZHYLRC-LLVKDONJSA-N -1 1 340.290 1.586 20 5 EDBDMM Cc1cnn(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)c1 ZINC000373100465 446027143 /nfs/dbraw/zinc/02/71/43/446027143.db2.gz RXAUROJJPFINBP-UHFFFAOYSA-N -1 1 331.332 1.678 20 5 EDBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000583209929 326027764 /nfs/dbraw/zinc/02/77/64/326027764.db2.gz YBWYSRFWOKFUEM-SKDRFNHKSA-N -1 1 332.316 1.940 20 5 EDBDMM O=C(N[C@H]1CCN(c2cccnc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369342261 446086793 /nfs/dbraw/zinc/08/67/93/446086793.db2.gz HXIDQVFAKNDEDP-NSHDSACASA-N -1 1 329.316 1.099 20 5 EDBDMM O=C(NC[C@@H](CO)Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445019877 447157186 /nfs/dbraw/zinc/15/71/86/447157186.db2.gz MSVHUSJDKRWWCM-LBPRGKRZSA-N -1 1 331.328 1.276 20 5 EDBDMM O=C(NCc1cnn(CC(F)(F)F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000531928890 448173048 /nfs/dbraw/zinc/17/30/48/448173048.db2.gz BJEPTDKQWSSTQP-UHFFFAOYSA-N -1 1 345.237 1.384 20 5 EDBDMM COC(=O)c1cc(Cl)cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1[O-] ZINC000588098920 448870688 /nfs/dbraw/zinc/87/06/88/448870688.db2.gz AWTBZIXLIUCJLD-UHFFFAOYSA-N -1 1 340.679 1.716 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2ccncc2)c([N+](=O)[O-])n1 ZINC000611106496 449170447 /nfs/dbraw/zinc/17/04/47/449170447.db2.gz MWPYKKVBGPJNSM-JTQLQIEISA-N -1 1 339.377 1.288 20 5 EDBDMM Cc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000604286159 449202415 /nfs/dbraw/zinc/20/24/15/449202415.db2.gz RZQBZGULEIRWTM-CQSZACIVSA-N -1 1 338.327 1.936 20 5 EDBDMM Cc1cc([C@@](C)(O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C)o1 ZINC000174673052 534050081 /nfs/dbraw/zinc/05/00/81/534050081.db2.gz HOYNTUPVZMXCAO-HNNXBMFYSA-N -1 1 335.316 1.543 20 5 EDBDMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000268788154 536612767 /nfs/dbraw/zinc/61/27/67/536612767.db2.gz LYWZYVIVPSDTEJ-SSDOTTSWSA-N -1 1 336.753 1.336 20 5 EDBDMM CCOC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000731036147 578665944 /nfs/dbraw/zinc/66/59/44/578665944.db2.gz GWLAMTXOWMGVJC-SSDOTTSWSA-N -1 1 336.753 1.478 20 5 EDBDMM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738166032 579167071 /nfs/dbraw/zinc/16/70/71/579167071.db2.gz QCNINEIBAPGOJY-UHFFFAOYSA-N -1 1 329.251 1.561 20 5 EDBDMM O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738166032 579167072 /nfs/dbraw/zinc/16/70/72/579167072.db2.gz QCNINEIBAPGOJY-UHFFFAOYSA-N -1 1 329.251 1.561 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000739540240 579216605 /nfs/dbraw/zinc/21/66/05/579216605.db2.gz PXLOQAZBGVIQDJ-UHFFFAOYSA-N -1 1 339.352 1.342 20 5 EDBDMM CCOC(=O)c1cc(C(=O)[N-]n2ccccc2=O)cc([N+](=O)[O-])c1 ZINC000777784441 580450247 /nfs/dbraw/zinc/45/02/47/580450247.db2.gz PZSFTQJVRNMEEX-UHFFFAOYSA-N -1 1 331.284 1.317 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000771751388 580292871 /nfs/dbraw/zinc/29/28/71/580292871.db2.gz MVSHMVVFZKJKRD-ZETCQYMHSA-N -1 1 344.324 1.773 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2c3ccccc3oc2C(N)=O)n1 ZINC000779752879 580496309 /nfs/dbraw/zinc/49/63/09/580496309.db2.gz AJADFMJCCCLAMJ-UHFFFAOYSA-N -1 1 329.272 1.426 20 5 EDBDMM O=C([N-]N1CCCC1=O)c1ccc([N+](=O)[O-])cc1Br ZINC000780700892 580531636 /nfs/dbraw/zinc/53/16/36/580531636.db2.gz XZRWNQLYIDEYJN-UHFFFAOYSA-N -1 1 328.122 1.625 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000801702832 581082831 /nfs/dbraw/zinc/08/28/31/581082831.db2.gz BNNNCXDAVJWNPD-UHFFFAOYSA-N -1 1 327.300 1.511 20 5 EDBDMM C[C@@H](OC(=O)c1cn[n-]n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000805602720 593110700 /nfs/dbraw/zinc/11/07/00/593110700.db2.gz AQHVEYBAJBUNBF-ZCFIWIBFSA-N -1 1 339.695 1.550 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H](O)c1ccccc1 ZINC000808339292 593251865 /nfs/dbraw/zinc/25/18/65/593251865.db2.gz BFQZEQIZPKHIHX-GWCFXTLKSA-N -1 1 337.357 1.390 20 5 EDBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809811038 593361277 /nfs/dbraw/zinc/36/12/77/593361277.db2.gz WMVIFNCJODGFBM-SSDOTTSWSA-N -1 1 337.760 1.370 20 5 EDBDMM O=c1[n-]nc([C@@H]2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)o1 ZINC000811841132 593484016 /nfs/dbraw/zinc/48/40/16/593484016.db2.gz QXOBLXRGTPMJGA-SECBINFHSA-N -1 1 330.304 1.715 20 5 EDBDMM O=C([N-]C[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811856062 593484362 /nfs/dbraw/zinc/48/43/62/593484362.db2.gz JRHTVOVFNDXCNK-VIFPVBQESA-N -1 1 332.282 1.885 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccno1 ZINC000815030311 593610605 /nfs/dbraw/zinc/61/06/05/593610605.db2.gz JSUYUCGCYNJZLE-UHFFFAOYSA-N -1 1 335.700 1.854 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1[C@@H]2COC[C@@H]21 ZINC000815042231 593611533 /nfs/dbraw/zinc/61/15/33/593611533.db2.gz KSWXCTWSAFJIIP-ZVVJDGAVSA-N -1 1 336.728 1.310 20 5 EDBDMM O=C([O-])C[N@@H+]1CCC[C@@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000819513095 593757414 /nfs/dbraw/zinc/75/74/14/593757414.db2.gz DWBIHVCUNCDQEA-LLVKDONJSA-N -1 1 347.327 1.782 20 5 EDBDMM O=C([O-])C[N@H+]1CCC[C@@H]1COC(=O)c1cc2cccc([N+](=O)[O-])c2[n-]1 ZINC000819513095 593757415 /nfs/dbraw/zinc/75/74/15/593757415.db2.gz DWBIHVCUNCDQEA-LLVKDONJSA-N -1 1 347.327 1.782 20 5 EDBDMM CC(C)[C@@H]1OCC[C@@H]1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820044368 593785856 /nfs/dbraw/zinc/78/58/56/593785856.db2.gz GGCMJXHGADNHPL-SKDRFNHKSA-N -1 1 333.352 1.643 20 5 EDBDMM CC(C)[C@@H]1OCC[C@@H]1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820044368 593785857 /nfs/dbraw/zinc/78/58/57/593785857.db2.gz GGCMJXHGADNHPL-SKDRFNHKSA-N -1 1 333.352 1.643 20 5 EDBDMM CN(CCc1ccncc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821607290 593879281 /nfs/dbraw/zinc/87/92/81/593879281.db2.gz IINIKEVTYAZCBZ-UHFFFAOYSA-N -1 1 326.320 1.244 20 5 EDBDMM CN(CCc1ccncc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821607290 593879283 /nfs/dbraw/zinc/87/92/83/593879283.db2.gz IINIKEVTYAZCBZ-UHFFFAOYSA-N -1 1 326.320 1.244 20 5 EDBDMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc([N+](=O)[O-])c1 ZINC000822183815 594004730 /nfs/dbraw/zinc/00/47/30/594004730.db2.gz JMKWRODFCVKEAP-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc([N+](=O)[O-])c1 ZINC000822183815 594004731 /nfs/dbraw/zinc/00/47/31/594004731.db2.gz JMKWRODFCVKEAP-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM O=C(Cn1ccnc1-c1nnn[n-]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000826424781 594470671 /nfs/dbraw/zinc/47/06/71/594470671.db2.gz CQGZVLBXMYGWBK-UHFFFAOYSA-N -1 1 348.710 1.264 20 5 EDBDMM O=C(Cn1ccnc1-c1nn[n-]n1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000826424781 594470672 /nfs/dbraw/zinc/47/06/72/594470672.db2.gz CQGZVLBXMYGWBK-UHFFFAOYSA-N -1 1 348.710 1.264 20 5 EDBDMM CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000827016163 594623913 /nfs/dbraw/zinc/62/39/13/594623913.db2.gz LKWZOUVFEBVWOS-SECBINFHSA-N -1 1 342.352 1.392 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1F ZINC000832125608 594728312 /nfs/dbraw/zinc/72/83/12/594728312.db2.gz FBNZASBTGYAGIH-SSDOTTSWSA-N -1 1 340.290 1.570 20 5 EDBDMM O=C([O-])CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000833232074 594810411 /nfs/dbraw/zinc/81/04/11/594810411.db2.gz KIZLMYMWOZNKSJ-UHFFFAOYSA-N -1 1 337.317 1.501 20 5 EDBDMM CC[C@H](C)[C@H](NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833637100 594894287 /nfs/dbraw/zinc/89/42/87/594894287.db2.gz BYZFXDODDUHPEW-RWSFTLGLSA-N -1 1 337.376 1.861 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCOC[C@@H]2C)cc1F ZINC000867263058 594914874 /nfs/dbraw/zinc/91/48/74/594914874.db2.gz DKFORYYXZYDZTL-QWRGUYRKSA-N -1 1 346.380 1.993 20 5 EDBDMM C[C@]1(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)C[C@@]1(F)Cl ZINC000845973943 595110713 /nfs/dbraw/zinc/11/07/13/595110713.db2.gz GKGBOCIKVSRDED-QWRGUYRKSA-N -1 1 337.760 1.973 20 5 EDBDMM CCO[N-]C(=O)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000846088988 595140695 /nfs/dbraw/zinc/14/06/95/595140695.db2.gz NTZBPOGQQJTGCO-UHFFFAOYSA-N -1 1 336.373 1.876 20 5 EDBDMM Cc1nnc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000848580877 595408448 /nfs/dbraw/zinc/40/84/48/595408448.db2.gz HZLJFTZDDXRMDX-UHFFFAOYSA-N -1 1 328.231 1.574 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@](O)(c2ccccc2)C1 ZINC000863938910 596720872 /nfs/dbraw/zinc/72/08/72/596720872.db2.gz RQNANYVWZDNLNJ-KRWDZBQOSA-N -1 1 343.339 1.819 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739375690 602420374 /nfs/dbraw/zinc/42/03/74/602420374.db2.gz FACNNUZFCDZIKK-SECBINFHSA-N -1 1 339.352 1.342 20 5 EDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000187216141 236149337 /nfs/dbraw/zinc/14/93/37/236149337.db2.gz YLIWAUOJBGWQMN-MRVPVSSYSA-N -1 1 348.281 1.404 20 5 EDBDMM C[C@@](O)(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000189841953 237305428 /nfs/dbraw/zinc/30/54/28/237305428.db2.gz SYVBNAFIOCTDHC-MRXNPFEDSA-N -1 1 331.328 1.723 20 5 EDBDMM O=C([O-])[C@@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCSC1 ZINC000262251179 139263634 /nfs/dbraw/zinc/26/36/34/139263634.db2.gz XSJNTYZILOVVOQ-CYBMUJFWSA-N -1 1 336.329 1.161 20 5 EDBDMM CC(C)C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000262448300 139279691 /nfs/dbraw/zinc/27/96/91/139279691.db2.gz HMGAUKBNVIIPBC-SECBINFHSA-N -1 1 334.325 1.512 20 5 EDBDMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000495424675 255284252 /nfs/dbraw/zinc/28/42/52/255284252.db2.gz PXTDBVUIFLKFKZ-MRVPVSSYSA-N -1 1 349.390 1.165 20 5 EDBDMM CS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1F ZINC000345810952 143135938 /nfs/dbraw/zinc/13/59/38/143135938.db2.gz LRMPQXHVBHXSDJ-UHFFFAOYSA-N -1 1 341.320 1.859 20 5 EDBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000416566824 304332431 /nfs/dbraw/zinc/33/24/31/304332431.db2.gz VIAOFCLXXHIBRD-RKDXNWHRSA-N -1 1 332.403 1.892 20 5 EDBDMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000369793845 155179395 /nfs/dbraw/zinc/17/93/95/155179395.db2.gz LMNNCRGGNIUHOA-ZDUSSCGKSA-N -1 1 345.311 1.958 20 5 EDBDMM Cn1ncc2c1[n-]cc(C(=O)NCCc1ccccc1[N+](=O)[O-])c2=O ZINC000358339136 151342290 /nfs/dbraw/zinc/34/22/90/151342290.db2.gz GNZFQEAICMUHOL-UHFFFAOYSA-N -1 1 341.327 1.555 20 5 EDBDMM COC[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000358520270 151403874 /nfs/dbraw/zinc/40/38/74/151403874.db2.gz NBTUHHICKPUMCS-QMMMGPOBSA-N -1 1 338.769 1.188 20 5 EDBDMM C[C@@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000122798385 222160652 /nfs/dbraw/zinc/16/06/52/222160652.db2.gz ZIWYBYFXPAZNJB-LURJTMIESA-N -1 1 339.167 1.016 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])s1 ZINC000273630226 268068344 /nfs/dbraw/zinc/06/83/44/268068344.db2.gz SHBBAXQGOYWSLP-SSDOTTSWSA-N -1 1 328.375 1.794 20 5 EDBDMM O=C(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NC1CCCCC1 ZINC000274917428 268238597 /nfs/dbraw/zinc/23/85/97/268238597.db2.gz WJBKHHMAIMGLRE-UHFFFAOYSA-N -1 1 336.348 1.264 20 5 EDBDMM Cc1c(C(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)cccc1[N+](=O)[O-] ZINC000283033600 273762786 /nfs/dbraw/zinc/76/27/86/273762786.db2.gz YSMDTNNJCDGXPL-SNVBAGLBSA-N -1 1 331.332 1.334 20 5 EDBDMM Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000448523395 447327446 /nfs/dbraw/zinc/32/74/46/447327446.db2.gz YRNOYWXAJOKGDU-UHFFFAOYSA-N -1 1 330.279 2.203 20 5 EDBDMM O=C(C(=O)N1CCOc2ccc([N+](=O)[O-])cc2C1)c1ccc([O-])cc1 ZINC000436604467 305162198 /nfs/dbraw/zinc/16/21/98/305162198.db2.gz CQQYVSCIKHXXTP-UHFFFAOYSA-N -1 1 342.307 1.904 20 5 EDBDMM Cc1ncsc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451788251 305368866 /nfs/dbraw/zinc/36/88/66/305368866.db2.gz OJODPQAZAHCSDD-UHFFFAOYSA-N -1 1 333.416 1.942 20 5 EDBDMM CC1(C)C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)(C)O1 ZINC000540868158 306040943 /nfs/dbraw/zinc/04/09/43/306040943.db2.gz OCKCMFYSOIZLTI-JTQLQIEISA-N -1 1 329.378 1.614 20 5 EDBDMM C[C@@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000065793617 441486477 /nfs/dbraw/zinc/48/64/77/441486477.db2.gz SRGXDHXXAYLDLE-LURJTMIESA-N -1 1 348.324 1.902 20 5 EDBDMM Cc1c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000179376796 442636387 /nfs/dbraw/zinc/63/63/87/442636387.db2.gz WYNYKNAMLJDPPQ-UHFFFAOYSA-N -1 1 335.341 1.803 20 5 EDBDMM Cc1noc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC000193666698 442765889 /nfs/dbraw/zinc/76/58/89/442765889.db2.gz YDKFHKLKEJPHML-SECBINFHSA-N -1 1 333.304 1.407 20 5 EDBDMM CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193675072 442766733 /nfs/dbraw/zinc/76/67/33/442766733.db2.gz IMPAWKPHESUXNU-XMMPIXPASA-N -1 1 349.368 1.705 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)Cc1ccccc1 ZINC000193742804 442778133 /nfs/dbraw/zinc/77/81/33/442778133.db2.gz ANUQTJOTFPCUGZ-QMTHXVAHSA-N -1 1 331.328 1.417 20 5 EDBDMM CO[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000266240919 443070452 /nfs/dbraw/zinc/07/04/52/443070452.db2.gz VZZZFBAEXDJQAL-WDEREUQCSA-N -1 1 332.353 1.970 20 5 EDBDMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185271435 443173387 /nfs/dbraw/zinc/17/33/87/443173387.db2.gz JTBCJBDWJOMPBJ-PBKGFPTLSA-N -1 1 334.781 1.854 20 5 EDBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1nc(=O)[n-][nH]1 ZINC000185465836 443203367 /nfs/dbraw/zinc/20/33/67/443203367.db2.gz FGKOJZRXYMZYPE-GFCCVEGCSA-N -1 1 347.375 1.324 20 5 EDBDMM CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000265122491 443540033 /nfs/dbraw/zinc/54/00/33/443540033.db2.gz DSRPNJGXSXDYRE-UWVGGRQHSA-N -1 1 336.348 1.072 20 5 EDBDMM O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000492362206 320377769 /nfs/dbraw/zinc/37/77/69/320377769.db2.gz CVXKJSLXPGGUAS-VLWUPBBWSA-N -1 1 346.322 1.666 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCc2cccs2)c([N+](=O)[O-])n1 ZINC000538759840 320746639 /nfs/dbraw/zinc/74/66/39/320746639.db2.gz YIQSEPPFGLCADP-UHFFFAOYSA-N -1 1 344.418 1.784 20 5 EDBDMM O=c1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[nH][n-]1 ZINC000285673788 444067867 /nfs/dbraw/zinc/06/78/67/444067867.db2.gz PPISYOXHBFQVAA-JTQLQIEISA-N -1 1 340.343 1.938 20 5 EDBDMM COCCN(Cc1ccccn1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278032369 444087861 /nfs/dbraw/zinc/08/78/61/444087861.db2.gz BGKBRWYJTTYRBT-UHFFFAOYSA-N -1 1 332.316 1.379 20 5 EDBDMM COc1ccc(O)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000323018381 444341731 /nfs/dbraw/zinc/34/17/31/444341731.db2.gz HXRGTKCLCPXZHG-UHFFFAOYSA-N -1 1 340.313 1.815 20 5 EDBDMM CCOC(=O)CC[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000340597049 444455780 /nfs/dbraw/zinc/45/57/80/444455780.db2.gz SJPGPFLJOBXADO-MRVPVSSYSA-N -1 1 336.391 1.666 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCOCC1 ZINC000330457987 444989090 /nfs/dbraw/zinc/98/90/90/444989090.db2.gz RBWUKRFUJYDDNQ-NSHDSACASA-N -1 1 346.409 1.295 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000339039492 445001886 /nfs/dbraw/zinc/00/18/86/445001886.db2.gz IXGYYVHXQDFJQI-UHFFFAOYSA-N -1 1 328.325 1.429 20 5 EDBDMM CCSCC[C@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339045692 445005891 /nfs/dbraw/zinc/00/58/91/445005891.db2.gz YOPNGRIMTORXRL-VIFPVBQESA-N -1 1 336.439 1.621 20 5 EDBDMM Cc1nc(C=Cc2cc(O)ccc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] ZINC000349113667 445511284 /nfs/dbraw/zinc/51/12/84/445511284.db2.gz SNMGPMACCVJEEP-GORDUTHDSA-N -1 1 331.284 1.902 20 5 EDBDMM O=C(N[C@@H]1C[C@]12CCOc1ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373114559 446038930 /nfs/dbraw/zinc/03/89/30/446038930.db2.gz AZQBFNAMHIIMPL-PBHICJAKSA-N -1 1 341.323 1.918 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cnn2ccccc12 ZINC000583580549 326099575 /nfs/dbraw/zinc/09/95/75/326099575.db2.gz WPXVEFYUEKYRKS-UHFFFAOYSA-N -1 1 333.329 1.116 20 5 EDBDMM Cc1cccc(C)c1NC(=O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361916694 446064564 /nfs/dbraw/zinc/06/45/64/446064564.db2.gz SKHMLRLDCVJGQQ-UHFFFAOYSA-N -1 1 344.327 1.681 20 5 EDBDMM COc1cc(CN=c2nc([C@@H](C)OC)[n-]s2)cc([N+](=O)[O-])c1O ZINC000359473211 446244997 /nfs/dbraw/zinc/24/49/97/446244997.db2.gz PMOHHTGRYLFNPG-SSDOTTSWSA-N -1 1 340.361 1.902 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(CN2CCCC2=O)CC1 ZINC000365650021 446287739 /nfs/dbraw/zinc/28/77/39/446287739.db2.gz PWFGATATEPELDZ-UHFFFAOYSA-N -1 1 348.359 1.170 20 5 EDBDMM Cn1ccnc1[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000376114184 446339901 /nfs/dbraw/zinc/33/99/01/446339901.db2.gz MMOCBZOZCFRLNB-JTQLQIEISA-N -1 1 331.332 1.449 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](c2ccncn2)C1 ZINC000374867920 446425015 /nfs/dbraw/zinc/42/50/15/446425015.db2.gz HJLJLHAHPYHXAZ-SNVBAGLBSA-N -1 1 329.316 1.505 20 5 EDBDMM O=C(NC[C@H]1COC2(CCCCC2)O1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000376940393 446811290 /nfs/dbraw/zinc/81/12/90/446811290.db2.gz GWYDUMBUICWTAO-NSHDSACASA-N -1 1 337.332 1.501 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc(C3CC3)s2)s1 ZINC000416635658 447664130 /nfs/dbraw/zinc/66/41/30/447664130.db2.gz UAAZTVPSJCSQRV-UHFFFAOYSA-N -1 1 346.415 1.864 20 5 EDBDMM COc1ccc([C@H](CO)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000458203996 447744419 /nfs/dbraw/zinc/74/44/19/447744419.db2.gz CUWZQBFATRJMIY-LBPRGKRZSA-N -1 1 347.327 1.210 20 5 EDBDMM CNc1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cc1[N+](=O)[O-] ZINC000576032046 447954966 /nfs/dbraw/zinc/95/49/66/447954966.db2.gz DCENNUQQYHYWNU-UHFFFAOYSA-N -1 1 347.331 1.745 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ncn1 ZINC000611134020 449181478 /nfs/dbraw/zinc/18/14/78/449181478.db2.gz LKXFHMRPEBZRIO-UHFFFAOYSA-N -1 1 342.764 1.825 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000598508079 449433516 /nfs/dbraw/zinc/43/35/16/449433516.db2.gz CAQAEKYXBPLLLW-QMMMGPOBSA-N -1 1 335.238 1.489 20 5 EDBDMM O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594387109 449485841 /nfs/dbraw/zinc/48/58/41/449485841.db2.gz SZHDIWFVKRIYAI-LLVKDONJSA-N -1 1 333.304 1.200 20 5 EDBDMM COc1c(F)cc(S(=O)(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000614539168 449677535 /nfs/dbraw/zinc/67/75/35/449677535.db2.gz ABFIJXYLJOJWKS-SECBINFHSA-N -1 1 347.368 1.115 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])n1 ZINC000594858943 449769519 /nfs/dbraw/zinc/76/95/19/449769519.db2.gz VPCYFIBHEPUTOH-JTQLQIEISA-N -1 1 338.336 1.525 20 5 EDBDMM C[C@H]1CCCN(c2ccc(C(=O)NCc3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000609532123 450044479 /nfs/dbraw/zinc/04/44/79/450044479.db2.gz GMQZLONMJSGRGL-JTQLQIEISA-N -1 1 345.363 1.274 20 5 EDBDMM CCOC(=O)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000618382382 450186563 /nfs/dbraw/zinc/18/65/63/450186563.db2.gz BRSSIWOXJOLGKV-UHFFFAOYSA-N -1 1 335.272 1.395 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](N2CCOCC2)CC1 ZINC000619879687 450350372 /nfs/dbraw/zinc/35/03/72/450350372.db2.gz QQVYZTQCUNXGMW-ZDUSSCGKSA-N -1 1 349.387 1.627 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2c(c1)COC2 ZINC000610898656 450372632 /nfs/dbraw/zinc/37/26/32/450372632.db2.gz RFMMECJNONGVIA-UHFFFAOYSA-N -1 1 335.341 1.499 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)C1CCCCC1 ZINC000159554085 534878761 /nfs/dbraw/zinc/87/87/61/534878761.db2.gz GIAKJZPXENITRQ-GFCCVEGCSA-N -1 1 346.380 1.953 20 5 EDBDMM CC(C)(C)[C@H](CCO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000178562460 526694606 /nfs/dbraw/zinc/69/46/06/526694606.db2.gz JMPWWPTZGNLAEH-NSHDSACASA-N -1 1 334.369 1.809 20 5 EDBDMM CC(C)C(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000263948275 535374072 /nfs/dbraw/zinc/37/40/72/535374072.db2.gz WXHSQPWIPFKRNN-UHFFFAOYSA-N -1 1 336.348 1.026 20 5 EDBDMM O=C([O-])N1CC[C@@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000740504203 579354372 /nfs/dbraw/zinc/35/43/72/579354372.db2.gz TVLVDTZKXJMGAG-ZDUSSCGKSA-N -1 1 334.376 1.717 20 5 EDBDMM C[C@H](CN1CCN(C)CC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736586129 579003290 /nfs/dbraw/zinc/00/32/90/579003290.db2.gz MBYXNROZPYHSGO-DIECRNLCSA-N -1 1 348.403 1.740 20 5 EDBDMM CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751466535 579808709 /nfs/dbraw/zinc/80/87/09/579808709.db2.gz GXMJUYSFTPHOIW-NXEZZACHSA-N -1 1 334.369 1.809 20 5 EDBDMM Nc1cccc([N+](=O)[O-])c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000778144021 580457494 /nfs/dbraw/zinc/45/74/94/580457494.db2.gz RXZAGBXDKSXJKM-UHFFFAOYSA-N -1 1 343.295 1.290 20 5 EDBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765396218 580141079 /nfs/dbraw/zinc/14/10/79/580141079.db2.gz OBJUXCIGAUSDSV-MRVPVSSYSA-N -1 1 338.345 1.241 20 5 EDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NCc1ccc(F)cc1 ZINC000769047944 580226437 /nfs/dbraw/zinc/22/64/37/580226437.db2.gz QEZBXRDYIAMIOK-UHFFFAOYSA-N -1 1 348.286 1.913 20 5 EDBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)Nc1ncccn1 ZINC000769050496 580226481 /nfs/dbraw/zinc/22/64/81/580226481.db2.gz XIJOUVSNJIBLAJ-MRVPVSSYSA-N -1 1 332.272 1.274 20 5 EDBDMM CCc1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000773159448 580328884 /nfs/dbraw/zinc/32/88/84/580328884.db2.gz GDSOFYCANZYVCF-LBPRGKRZSA-N -1 1 348.388 1.601 20 5 EDBDMM COC(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])[n-]1 ZINC000796363581 580952134 /nfs/dbraw/zinc/95/21/34/580952134.db2.gz UODDFVWMNNGZNB-UHFFFAOYSA-N -1 1 347.283 1.505 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COC[C@@H]1C1CC1 ZINC000908415556 592487213 /nfs/dbraw/zinc/48/72/13/592487213.db2.gz SAGBQPPZEHEBHZ-MWLCHTKSSA-N -1 1 346.792 1.952 20 5 EDBDMM C[C@@H]1CC2(CC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CO1 ZINC000907723406 592771394 /nfs/dbraw/zinc/77/13/94/592771394.db2.gz GPUZKQQZTNFWAB-YDNLMGDJSA-N -1 1 332.403 1.892 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H](CO)C2CC2)cc1Cl ZINC000809820006 593362026 /nfs/dbraw/zinc/36/20/26/593362026.db2.gz KFFIPENMYIULND-VIFPVBQESA-N -1 1 338.744 1.437 20 5 EDBDMM CCCCCOC1CN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000821056407 593955629 /nfs/dbraw/zinc/95/56/29/593955629.db2.gz QORQVWIHIHOELH-UHFFFAOYSA-N -1 1 333.352 1.565 20 5 EDBDMM CCCCCOC1CN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000821056407 593955631 /nfs/dbraw/zinc/95/56/31/593955631.db2.gz QORQVWIHIHOELH-UHFFFAOYSA-N -1 1 333.352 1.565 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@H](CN(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824452865 594015613 /nfs/dbraw/zinc/01/56/13/594015613.db2.gz CLWMLUOWXDSLSG-SECBINFHSA-N -1 1 339.352 1.513 20 5 EDBDMM CN(C[C@@](C)(O)c1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000822438824 594049050 /nfs/dbraw/zinc/04/90/50/594049050.db2.gz VTZNDPWEYFBAGS-MRXNPFEDSA-N -1 1 331.328 1.675 20 5 EDBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])OC1CCCCC1 ZINC000823014558 594137189 /nfs/dbraw/zinc/13/71/89/594137189.db2.gz PTIWGBGDFVXGTA-UHFFFAOYSA-N -1 1 347.335 1.458 20 5 EDBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])OC1CCCCC1 ZINC000823014558 594137191 /nfs/dbraw/zinc/13/71/91/594137191.db2.gz PTIWGBGDFVXGTA-UHFFFAOYSA-N -1 1 347.335 1.458 20 5 EDBDMM C[C@@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC000828465950 594428248 /nfs/dbraw/zinc/42/82/48/594428248.db2.gz ZEQMRJCAZHRWBP-ZYHUDNBSSA-N -1 1 331.332 1.463 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826496565 594501561 /nfs/dbraw/zinc/50/15/61/594501561.db2.gz ABNLBXNQZYBSCE-NXEZZACHSA-N -1 1 331.336 1.033 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000826496565 594501563 /nfs/dbraw/zinc/50/15/63/594501563.db2.gz ABNLBXNQZYBSCE-NXEZZACHSA-N -1 1 331.336 1.033 20 5 EDBDMM O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000829438061 594613303 /nfs/dbraw/zinc/61/33/03/594613303.db2.gz ACEHIPBMFZYYHD-YPMHNXCESA-N -1 1 334.332 1.596 20 5 EDBDMM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000831577131 594685046 /nfs/dbraw/zinc/68/50/46/594685046.db2.gz CMJHSPNVVOJVCQ-AWEZNQCLSA-N -1 1 325.321 1.003 20 5 EDBDMM C[C@@H](NC(=O)[O-])[C@@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000833820942 594939181 /nfs/dbraw/zinc/93/91/81/594939181.db2.gz WAVPIIFTOHLUMW-RNCFNFMXSA-N -1 1 325.321 1.157 20 5 EDBDMM Cn1cc(CN2CC[C@H](NC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949288 594972021 /nfs/dbraw/zinc/97/20/21/594972021.db2.gz PYWJJPWPYVHLRU-ZDUSSCGKSA-N -1 1 345.359 1.837 20 5 EDBDMM Nc1ccc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)nc1[N+](=O)[O-] ZINC000853637898 595842070 /nfs/dbraw/zinc/84/20/70/595842070.db2.gz WYOGLKYABLSZFC-QMMMGPOBSA-N -1 1 347.297 1.467 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C[C@H](C)O[C@@H]2C)cc1F ZINC000867609308 596458158 /nfs/dbraw/zinc/45/81/58/596458158.db2.gz PIUXHEUGGMGLLX-IQJOONFLSA-N -1 1 332.353 1.887 20 5 EDBDMM Cc1cccc(OCC(=O)CC[N-]C(=O)C(F)(F)F)c1[N+](=O)[O-] ZINC000865361497 596551841 /nfs/dbraw/zinc/55/18/41/596551841.db2.gz SCJOPZOWSREZIA-UHFFFAOYSA-N -1 1 334.250 1.920 20 5 EDBDMM C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C(=O)[O-] ZINC000739178776 602949680 /nfs/dbraw/zinc/94/96/80/602949680.db2.gz ZMAAYSGTSLLURL-QMMMGPOBSA-N -1 1 333.304 1.295 20 5 EDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000822604470 606684552 /nfs/dbraw/zinc/68/45/52/606684552.db2.gz FVCRRZFLELBVGP-UHFFFAOYSA-N -1 1 342.319 1.080 20 5 EDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000822604470 606684553 /nfs/dbraw/zinc/68/45/53/606684553.db2.gz FVCRRZFLELBVGP-UHFFFAOYSA-N -1 1 342.319 1.080 20 5 EDBDMM CCn1c(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n[n-]c1=S ZINC000066635943 215060464 /nfs/dbraw/zinc/06/04/64/215060464.db2.gz NSNUQVXVEDFIPL-UHFFFAOYSA-N -1 1 336.377 1.689 20 5 EDBDMM C[C@H](O)C[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187187610 236141313 /nfs/dbraw/zinc/14/13/13/236141313.db2.gz WLZUTZIGHHBVMB-AAEUAGOBSA-N -1 1 345.355 1.980 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2c(c1)CCCN2 ZINC000567862224 306465710 /nfs/dbraw/zinc/46/57/10/306465710.db2.gz WKSMYVDJISUYGB-UHFFFAOYSA-N -1 1 348.384 1.826 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000348255982 296283924 /nfs/dbraw/zinc/28/39/24/296283924.db2.gz HDZSPJQMMADPQQ-OLZOCXBDSA-N -1 1 347.302 1.783 20 5 EDBDMM CCOC(=O)CC[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000270557576 140123230 /nfs/dbraw/zinc/12/32/30/140123230.db2.gz OQOWMWZHZYDKTB-VIFPVBQESA-N -1 1 348.352 1.744 20 5 EDBDMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000347715247 143353298 /nfs/dbraw/zinc/35/32/98/143353298.db2.gz FSNHJTBIPPJEDY-UHFFFAOYSA-N -1 1 343.342 1.262 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)CCC(C)(C)C)c([N+](=O)[O-])n1 ZINC000360540557 152086792 /nfs/dbraw/zinc/08/67/92/152086792.db2.gz AZAVKUBSBBKNJF-SNVBAGLBSA-N -1 1 348.425 1.277 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](OCc2ccccn2)C1 ZINC000275099346 268280705 /nfs/dbraw/zinc/28/07/05/268280705.db2.gz IOCNSKRGIVGPPN-ZDUSSCGKSA-N -1 1 344.327 1.522 20 5 EDBDMM O=c1[n-]nc(C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000283909123 274006821 /nfs/dbraw/zinc/00/68/21/274006821.db2.gz FZXJFAMSYPHSED-UHFFFAOYSA-N -1 1 334.332 1.530 20 5 EDBDMM CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000286441670 288006759 /nfs/dbraw/zinc/00/67/59/288006759.db2.gz HAYKCKTWZKJWNN-UHFFFAOYSA-N -1 1 348.359 1.883 20 5 EDBDMM Cc1noc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000286558160 288034037 /nfs/dbraw/zinc/03/40/37/288034037.db2.gz WTHYCDSLECAEDF-JTQLQIEISA-N -1 1 333.304 1.754 20 5 EDBDMM COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287550930 288263811 /nfs/dbraw/zinc/26/38/11/288263811.db2.gz VPXAFAXWAPOBIO-MRVPVSSYSA-N -1 1 340.716 1.038 20 5 EDBDMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000292689180 289413325 /nfs/dbraw/zinc/41/33/25/289413325.db2.gz CJBKBGXVKSNASR-AWEZNQCLSA-N -1 1 346.380 1.953 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)C2CCC2)c([N+](=O)[O-])n1 ZINC000451813491 305370666 /nfs/dbraw/zinc/37/06/66/305370666.db2.gz QZXADCIWMJYSFQ-UHFFFAOYSA-N -1 1 330.410 1.916 20 5 EDBDMM CCC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])COC1 ZINC000451955161 305373876 /nfs/dbraw/zinc/37/38/76/305373876.db2.gz ZFHHJFAEMLTYLR-UHFFFAOYSA-N -1 1 334.781 1.953 20 5 EDBDMM Cc1ccccc1C[C@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000190543625 443132471 /nfs/dbraw/zinc/13/24/71/443132471.db2.gz JLTJZTLGJGRUHW-CYBMUJFWSA-N -1 1 331.328 1.337 20 5 EDBDMM CC(C)Oc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000413692494 319288460 /nfs/dbraw/zinc/28/84/60/319288460.db2.gz XBQAPFVEERJCRY-JTQLQIEISA-N -1 1 348.363 1.771 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2cccs2)C1 ZINC000185850701 443269619 /nfs/dbraw/zinc/26/96/19/443269619.db2.gz VEJMETINCXJJSQ-LLVKDONJSA-N -1 1 335.341 1.971 20 5 EDBDMM CO[C@@H](C)c1nc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cs1 ZINC000267738302 443559703 /nfs/dbraw/zinc/55/97/03/443559703.db2.gz AVTOPZWIQFNIEK-ZETCQYMHSA-N -1 1 338.345 1.789 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286101068 443646356 /nfs/dbraw/zinc/64/63/56/443646356.db2.gz FIERDPHEHXROOB-RKDXNWHRSA-N -1 1 349.265 1.328 20 5 EDBDMM C[C@@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000283529379 443654938 /nfs/dbraw/zinc/65/49/38/443654938.db2.gz MBQJOTARSLIZNR-YFKPBYRVSA-N -1 1 329.161 1.561 20 5 EDBDMM O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000492362204 320377754 /nfs/dbraw/zinc/37/77/54/320377754.db2.gz CVXKJSLXPGGUAS-MALLOTDXSA-N -1 1 346.322 1.666 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@H]1C1CC1 ZINC000318326155 444318981 /nfs/dbraw/zinc/31/89/81/444318981.db2.gz TWIAUKLWPSZMDC-MFKMUULPSA-N -1 1 330.337 1.580 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000339039673 445001595 /nfs/dbraw/zinc/00/15/95/445001595.db2.gz FRWAMQDPGBFFFQ-UWVGGRQHSA-N -1 1 330.410 1.914 20 5 EDBDMM O=C(Cc1ccccc1[N+](=O)[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339188283 445080346 /nfs/dbraw/zinc/08/03/46/445080346.db2.gz IBKCFGPEWMCJIC-UHFFFAOYSA-N -1 1 332.316 1.632 20 5 EDBDMM CO[C@@H]1C[C@H](c2nnc[nH]2)N(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000348537891 445319139 /nfs/dbraw/zinc/31/91/39/445319139.db2.gz JRWNYNPHQUZBCT-PSASIEDQSA-N -1 1 333.304 1.021 20 5 EDBDMM COc1ccccc1-c1nc([N-]C(=O)c2n[nH]c(C)c2[N+](=O)[O-])n[nH]1 ZINC000354732453 445355215 /nfs/dbraw/zinc/35/52/15/445355215.db2.gz PMOFHNJGZAIVGJ-UHFFFAOYSA-N -1 1 343.303 1.672 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000357230319 445493933 /nfs/dbraw/zinc/49/39/33/445493933.db2.gz CBAPUAVZBSGDOE-UHFFFAOYSA-N -1 1 326.334 1.327 20 5 EDBDMM O=C(N[C@H](CO)Cc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361484397 445782355 /nfs/dbraw/zinc/78/23/55/445782355.db2.gz JAJKQDQPIAWEJQ-LBPRGKRZSA-N -1 1 335.291 1.168 20 5 EDBDMM COC(=O)c1cc([N-]C(=O)c2cc(CN(C)C)on2)cc([N+](=O)[O-])c1 ZINC000359449099 446228868 /nfs/dbraw/zinc/22/88/68/446228868.db2.gz RWVLLYJWOAULCH-UHFFFAOYSA-N -1 1 348.315 1.683 20 5 EDBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000424876281 446957029 /nfs/dbraw/zinc/95/70/29/446957029.db2.gz GEYWOTKLLMDDON-UHFFFAOYSA-N -1 1 343.286 1.820 20 5 EDBDMM Cc1cc(N2CCN(C[C@H]3CCCO3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592967020 449089597 /nfs/dbraw/zinc/08/95/97/449089597.db2.gz BMJYMYYBNZXDGM-CQSZACIVSA-N -1 1 349.387 1.902 20 5 EDBDMM COC(=O)c1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590349299 449135543 /nfs/dbraw/zinc/13/55/43/449135543.db2.gz SPXJCGTZOWGCQN-UHFFFAOYSA-N -1 1 331.284 1.412 20 5 EDBDMM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000600653293 449472298 /nfs/dbraw/zinc/47/22/98/449472298.db2.gz HTLULWNMJKVHEY-QMMMGPOBSA-N -1 1 342.381 1.756 20 5 EDBDMM CCOC(=O)CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000594407976 449498873 /nfs/dbraw/zinc/49/88/73/449498873.db2.gz GBWKAOQFANJYIN-UHFFFAOYSA-N -1 1 325.321 1.499 20 5 EDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600704200 449504489 /nfs/dbraw/zinc/50/44/89/449504489.db2.gz UIUIRZDVAIMCSE-UHIISALHSA-N -1 1 335.360 1.964 20 5 EDBDMM Cc1ccnc([C@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000598733868 449568932 /nfs/dbraw/zinc/56/89/32/449568932.db2.gz AMRSLQCPFHBYHD-QMMMGPOBSA-N -1 1 328.375 1.794 20 5 EDBDMM Cc1ccc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600877568 449582699 /nfs/dbraw/zinc/58/26/99/449582699.db2.gz ZBKJNKXBPMJFCK-UHFFFAOYSA-N -1 1 335.360 1.524 20 5 EDBDMM C[C@H]1c2ccccc2C[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594830932 449738291 /nfs/dbraw/zinc/73/82/91/449738291.db2.gz BQYJHCNVMBUOGD-GXFFZTMASA-N -1 1 333.369 1.997 20 5 EDBDMM COc1cc(C)ccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599258660 449838173 /nfs/dbraw/zinc/83/81/73/449838173.db2.gz QSUNGZVGNNJZBE-UHFFFAOYSA-N -1 1 340.361 1.124 20 5 EDBDMM O=C1[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CCC1 ZINC000599525470 450043400 /nfs/dbraw/zinc/04/34/00/450043400.db2.gz MTHGWUQZLCQTTE-SECBINFHSA-N -1 1 345.402 1.088 20 5 EDBDMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000618575331 450250993 /nfs/dbraw/zinc/25/09/93/450250993.db2.gz DKNNSVUGVPIOMF-NSHDSACASA-N -1 1 329.312 1.688 20 5 EDBDMM O=C([O-])N(CCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000740440260 579347181 /nfs/dbraw/zinc/34/71/81/579347181.db2.gz RLIYFINRKZDIAU-UHFFFAOYSA-N -1 1 333.304 1.343 20 5 EDBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738089662 579158963 /nfs/dbraw/zinc/15/89/63/579158963.db2.gz ZDEZSUQTSZZSSD-UHFFFAOYSA-N -1 1 339.315 1.142 20 5 EDBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738089662 579158964 /nfs/dbraw/zinc/15/89/64/579158964.db2.gz ZDEZSUQTSZZSSD-UHFFFAOYSA-N -1 1 339.315 1.142 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)Cn2ccc([N+](=O)[O-])n2)c1 ZINC000744800446 579524805 /nfs/dbraw/zinc/52/48/05/579524805.db2.gz WVGAFORYOJUHBP-UHFFFAOYSA-N -1 1 333.300 1.485 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]N1CCc2ccccc2C1=O ZINC000762653721 580079954 /nfs/dbraw/zinc/07/99/54/580079954.db2.gz QOSPVLRAEXETGK-UHFFFAOYSA-N -1 1 341.323 1.947 20 5 EDBDMM O=C([O-])c1coc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1 ZINC000785701468 580650541 /nfs/dbraw/zinc/65/05/41/580650541.db2.gz FZUUVXSLPQKNHM-UHFFFAOYSA-N -1 1 344.276 1.504 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000798818631 581009599 /nfs/dbraw/zinc/00/95/99/581009599.db2.gz ZVMVBJDZULCGQN-CYBMUJFWSA-N -1 1 343.405 1.294 20 5 EDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C ZINC000798859999 581010899 /nfs/dbraw/zinc/01/08/99/581010899.db2.gz SBTKOKHFZYAYIS-ZDUSSCGKSA-N -1 1 343.405 1.294 20 5 EDBDMM O=C([N-]CC1CCN(Cn2nccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000799140587 581018433 /nfs/dbraw/zinc/01/84/33/581018433.db2.gz HEAYZCVBRQGLJC-UHFFFAOYSA-N -1 1 335.286 1.139 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)[C@H]2CCOC2)cc1F ZINC000866875196 590979340 /nfs/dbraw/zinc/97/93/40/590979340.db2.gz VDVXSTNDUHTDDC-ZJUUUORDSA-N -1 1 332.353 1.746 20 5 EDBDMM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809810041 593360770 /nfs/dbraw/zinc/36/07/70/593360770.db2.gz IUZBDEOFNRCACI-UHFFFAOYSA-N -1 1 348.743 1.897 20 5 EDBDMM CO[C@H](C)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815036691 593611107 /nfs/dbraw/zinc/61/11/07/593611107.db2.gz SZNLZPNILRZFEG-ZCFIWIBFSA-N -1 1 326.733 1.701 20 5 EDBDMM CC(C)OC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820141912 593794706 /nfs/dbraw/zinc/79/47/06/593794706.db2.gz CBJRBNPVBZJZET-UHFFFAOYSA-N -1 1 333.352 1.564 20 5 EDBDMM CC(C)OC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820141912 593794707 /nfs/dbraw/zinc/79/47/07/593794707.db2.gz CBJRBNPVBZJZET-UHFFFAOYSA-N -1 1 333.352 1.564 20 5 EDBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])Cn1cccn1 ZINC000820280527 593805766 /nfs/dbraw/zinc/80/57/66/593805766.db2.gz IPXJBFMWHSKINP-VIFPVBQESA-N -1 1 329.324 1.115 20 5 EDBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])Cn1cccn1 ZINC000820280527 593805767 /nfs/dbraw/zinc/80/57/67/593805767.db2.gz IPXJBFMWHSKINP-VIFPVBQESA-N -1 1 329.324 1.115 20 5 EDBDMM O=C(OCc1cccc(-c2nn[nH]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000823431576 594201023 /nfs/dbraw/zinc/20/10/23/594201023.db2.gz SEAAKJUZYOJYJR-UHFFFAOYSA-N -1 1 341.283 1.838 20 5 EDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000823436522 594201440 /nfs/dbraw/zinc/20/14/40/594201440.db2.gz ZILPPMVJTCYJBG-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1F ZINC000823436522 594201442 /nfs/dbraw/zinc/20/14/42/594201442.db2.gz ZILPPMVJTCYJBG-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(O)c(F)c1 ZINC000823624789 594222636 /nfs/dbraw/zinc/22/26/36/594222636.db2.gz JMCGWQGFOMFYOS-UHFFFAOYSA-N -1 1 331.267 1.627 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC[C@@H]1CCCC[C@@H]1O ZINC000823624546 594222692 /nfs/dbraw/zinc/22/26/92/594222692.db2.gz CIDSFOREXKBGJI-JQWIXIFHSA-N -1 1 347.379 1.913 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC[C@@H]1CCCC[C@@H]1O ZINC000823624546 594222693 /nfs/dbraw/zinc/22/26/93/594222693.db2.gz CIDSFOREXKBGJI-JQWIXIFHSA-N -1 1 347.379 1.913 20 5 EDBDMM C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000828433714 594418954 /nfs/dbraw/zinc/41/89/54/594418954.db2.gz YISPHYCHHIITPZ-GWCFXTLKSA-N -1 1 333.344 1.136 20 5 EDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccccc2)c1-c1nn[n-]n1 ZINC000826499960 594503370 /nfs/dbraw/zinc/50/33/70/594503370.db2.gz GFBIVDQGJWJMOI-UHFFFAOYSA-N -1 1 347.312 1.543 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000833554036 594872716 /nfs/dbraw/zinc/87/27/16/594872716.db2.gz MNFUHGDIFNKTSA-MRXNPFEDSA-N -1 1 348.359 1.591 20 5 EDBDMM O=C(O[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000837582936 595145539 /nfs/dbraw/zinc/14/55/39/595145539.db2.gz JYCCECAXTUUAMI-CUOATXAZSA-N -1 1 334.328 1.905 20 5 EDBDMM CCOC(=O)C(C)(C)O[N-]C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000846655267 595294150 /nfs/dbraw/zinc/29/41/50/595294150.db2.gz NXXPMFAITLDGEU-UHFFFAOYSA-N -1 1 328.296 1.666 20 5 EDBDMM O=[N+]([O-])c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000738367582 599324905 /nfs/dbraw/zinc/32/49/05/599324905.db2.gz WBTGCUKMVDAWEQ-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM O=[N+]([O-])c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000738367582 599324908 /nfs/dbraw/zinc/32/49/08/599324908.db2.gz WBTGCUKMVDAWEQ-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431615756 305080647 /nfs/dbraw/zinc/08/06/47/305080647.db2.gz AJGBXOZJEIKZNL-VIFPVBQESA-N -1 1 349.434 1.487 20 5 EDBDMM C[C@@H]1CN(CCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000563207346 306323576 /nfs/dbraw/zinc/32/35/76/306323576.db2.gz QYBOSPGSLWOSLU-GHMZBOCLSA-N -1 1 338.364 1.599 20 5 EDBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000563527947 306337120 /nfs/dbraw/zinc/33/71/20/306337120.db2.gz GGZVFYZGNIUHQV-MNOVXSKESA-N -1 1 327.362 1.226 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(C2CCOCC2)CC1 ZINC000124291990 138325647 /nfs/dbraw/zinc/32/56/47/138325647.db2.gz DRVUCXNHJPANDK-UHFFFAOYSA-N -1 1 335.360 1.974 20 5 EDBDMM CSc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000183418608 533008666 /nfs/dbraw/zinc/00/86/66/533008666.db2.gz OGTFWBXHSNMDQA-QMMMGPOBSA-N -1 1 336.377 1.706 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccccc2SCCC(N)=O)n1 ZINC000345423904 143089444 /nfs/dbraw/zinc/08/94/44/143089444.db2.gz FPZNXXHSVKKOCR-UHFFFAOYSA-N -1 1 349.372 1.548 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2ccncc2)C1 ZINC000346030788 143159462 /nfs/dbraw/zinc/15/94/62/143159462.db2.gz HAWTUTMEMVVQRB-LBPRGKRZSA-N -1 1 330.300 1.384 20 5 EDBDMM O=C(NCc1ncnn1-c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352939299 149222275 /nfs/dbraw/zinc/22/22/75/149222275.db2.gz COFSQIYTKWGNDD-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000372236008 156281622 /nfs/dbraw/zinc/28/16/22/156281622.db2.gz KPJPGUXMGOYTSR-AWEZNQCLSA-N -1 1 339.311 1.938 20 5 EDBDMM O=C(Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000352385312 162153786 /nfs/dbraw/zinc/15/37/86/162153786.db2.gz FLHXLEOCABHGEI-JTQLQIEISA-N -1 1 342.311 1.380 20 5 EDBDMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1Cl ZINC000285330419 274512406 /nfs/dbraw/zinc/51/24/06/274512406.db2.gz UKNRMNDILDWZGT-ZETCQYMHSA-N -1 1 335.769 1.467 20 5 EDBDMM CC(C)c1nnc2n1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]2C ZINC000188711958 278107414 /nfs/dbraw/zinc/10/74/14/278107414.db2.gz PEQVUHSUVKUDBB-SECBINFHSA-N -1 1 346.347 1.627 20 5 EDBDMM COC1CCC(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000530693025 305945041 /nfs/dbraw/zinc/94/50/41/305945041.db2.gz GAIIRQXGIAMBSC-UHFFFAOYSA-N -1 1 329.378 1.473 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](CO)CC1CCCC1 ZINC000546603660 306093900 /nfs/dbraw/zinc/09/39/00/306093900.db2.gz HAQHDYCBJGXUEA-GFCCVEGCSA-N -1 1 343.405 1.457 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C2CCCCC2)s1 ZINC000159572199 441821423 /nfs/dbraw/zinc/82/14/23/441821423.db2.gz ZFCFWMPLHXDAEG-SNVBAGLBSA-N -1 1 334.419 1.876 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000124829448 441958223 /nfs/dbraw/zinc/95/82/23/441958223.db2.gz FROFNPJSGXXDLA-GXTWGEPZSA-N -1 1 346.380 1.953 20 5 EDBDMM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000170787301 442264843 /nfs/dbraw/zinc/26/48/43/442264843.db2.gz DIDFIVWMHFCUFU-VIFPVBQESA-N -1 1 342.352 1.815 20 5 EDBDMM COc1ccc(S(=O)(=O)[N-]c2ccncc2F)c([N+](=O)[O-])c1 ZINC000180165249 442550742 /nfs/dbraw/zinc/55/07/42/442550742.db2.gz UNJSIYGQMYHECN-UHFFFAOYSA-N -1 1 327.293 1.938 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)co1 ZINC000157377097 442577876 /nfs/dbraw/zinc/57/78/76/442577876.db2.gz CCFHTRMBVNXWQY-UHFFFAOYSA-N -1 1 339.329 1.657 20 5 EDBDMM O=C(NCc1ccccc1-n1cccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193482992 442747326 /nfs/dbraw/zinc/74/73/26/442747326.db2.gz ZMPYURXDLHZSOF-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000267913071 442785016 /nfs/dbraw/zinc/78/50/16/442785016.db2.gz ORVZBOYMXJVZFN-QMMMGPOBSA-N -1 1 336.753 1.478 20 5 EDBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000183019542 442865284 /nfs/dbraw/zinc/86/52/84/442865284.db2.gz FXQQBSJXWVJTDK-UHFFFAOYSA-N -1 1 329.309 1.817 20 5 EDBDMM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282565840 443376511 /nfs/dbraw/zinc/37/65/11/443376511.db2.gz OOVTZWYKMUQQNK-IONNQARKSA-N -1 1 347.780 1.194 20 5 EDBDMM C/C=C/C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OCC ZINC000433878211 319987676 /nfs/dbraw/zinc/98/76/76/319987676.db2.gz PGHWERDHYJPCSW-SGRBOOSSSA-N -1 1 348.402 1.833 20 5 EDBDMM O=c1nc(C2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)[nH][n-]1 ZINC000280955800 443782659 /nfs/dbraw/zinc/78/26/59/443782659.db2.gz KIZHKMAPQSIDJW-UHFFFAOYSA-N -1 1 340.343 1.938 20 5 EDBDMM COC1(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000292908240 443875772 /nfs/dbraw/zinc/87/57/72/443875772.db2.gz WOQNTJBNNZQNGN-UHFFFAOYSA-N -1 1 332.353 1.971 20 5 EDBDMM CC(C)CN1CCO[C@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000581550876 322191748 /nfs/dbraw/zinc/19/17/48/322191748.db2.gz RZWQULFUETVWGB-GFCCVEGCSA-N -1 1 338.364 1.457 20 5 EDBDMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344162583 444815076 /nfs/dbraw/zinc/81/50/76/444815076.db2.gz ILKALORXLYBUBX-JGVFFNPUSA-N -1 1 336.391 1.522 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])n1 ZINC000330458506 444989458 /nfs/dbraw/zinc/98/94/58/444989458.db2.gz RXLSDSPWIZRNQI-ZJUUUORDSA-N -1 1 348.450 1.764 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C1CCOCC1 ZINC000330457986 444989474 /nfs/dbraw/zinc/98/94/74/444989474.db2.gz RBWUKRFUJYDDNQ-LLVKDONJSA-N -1 1 346.409 1.295 20 5 EDBDMM CO[C@@H]1[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000342993061 444994612 /nfs/dbraw/zinc/99/46/12/444994612.db2.gz WWSRULMEZZSNBS-PPKCKEKNSA-N -1 1 334.419 1.994 20 5 EDBDMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000342994063 444995253 /nfs/dbraw/zinc/99/52/53/444995253.db2.gz NJJPWJQQMCBJAG-LLVKDONJSA-N -1 1 334.419 1.732 20 5 EDBDMM O=C(CCCNc1ccc([N+](=O)[O-])cc1)NC1(c2nn[n-]n2)CC1 ZINC000348299486 445246521 /nfs/dbraw/zinc/24/65/21/445246521.db2.gz XRORTMVWHZPHTD-UHFFFAOYSA-N -1 1 331.336 1.106 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000435795922 446711921 /nfs/dbraw/zinc/71/19/21/446711921.db2.gz GLFROBNEAMSERQ-UHFFFAOYSA-N -1 1 344.780 1.943 20 5 EDBDMM CC[C@@H](C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443279047 447023062 /nfs/dbraw/zinc/02/30/62/447023062.db2.gz FHGIQDOQQMDDLP-KCJUWKMLSA-N -1 1 336.797 1.934 20 5 EDBDMM CNc1nc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)ccc1[N+](=O)[O-] ZINC000425317030 447111755 /nfs/dbraw/zinc/11/17/55/447111755.db2.gz FCFZXXSKHBEXQE-UHFFFAOYSA-N -1 1 348.319 1.140 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])n1 ZINC000416552208 447644081 /nfs/dbraw/zinc/64/40/81/447644081.db2.gz BJXXAGSLASTYFQ-QWRGUYRKSA-N -1 1 344.393 1.047 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000525701255 448013184 /nfs/dbraw/zinc/01/31/84/448013184.db2.gz IAGGKTZDJDASAP-LBPRGKRZSA-N -1 1 337.357 1.656 20 5 EDBDMM CSC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCOCC1 ZINC000525698996 448014105 /nfs/dbraw/zinc/01/41/05/448014105.db2.gz IYLZTWVRYPZCFK-UHFFFAOYSA-N -1 1 347.418 1.180 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000525462779 448001246 /nfs/dbraw/zinc/00/12/46/448001246.db2.gz GJJHUFHGJXIQAT-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM COC[C@@]1(C(=O)[O-])CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000591652943 448432940 /nfs/dbraw/zinc/43/29/40/448432940.db2.gz SDJLGKSOOZBZDB-OAHLLOKOSA-N -1 1 348.315 1.177 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(C(C)C)no2)c([N+](=O)[O-])n1 ZINC000611107165 449170462 /nfs/dbraw/zinc/17/04/62/449170462.db2.gz JBWOTGOVOUAYCK-UHFFFAOYSA-N -1 1 343.365 1.401 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccncc2)c([N+](=O)[O-])n1 ZINC000611106497 449170701 /nfs/dbraw/zinc/17/07/01/449170701.db2.gz MWPYKKVBGPJNSM-SNVBAGLBSA-N -1 1 339.377 1.288 20 5 EDBDMM O=C([O-])C[C@@H]1CCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000604497947 449239143 /nfs/dbraw/zinc/23/91/43/449239143.db2.gz BRLRDVGTNWJWSJ-VIFPVBQESA-N -1 1 332.316 1.941 20 5 EDBDMM O=C([O-])[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000596027590 449325776 /nfs/dbraw/zinc/32/57/76/449325776.db2.gz SFMYGYBUSLETCS-VIFPVBQESA-N -1 1 346.336 1.513 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@](C)(C(F)F)O1 ZINC000598562699 449467149 /nfs/dbraw/zinc/46/71/49/449467149.db2.gz DIMMILXWRWSPHJ-WPPNPWJKSA-N -1 1 331.275 1.580 20 5 EDBDMM COC[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594479341 449543632 /nfs/dbraw/zinc/54/36/32/449543632.db2.gz SGLNSMLDJWSFSX-SNVBAGLBSA-N -1 1 331.394 1.719 20 5 EDBDMM CSCC1(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000594816210 449725317 /nfs/dbraw/zinc/72/53/17/449725317.db2.gz SVUOSFMAHLXKEQ-UHFFFAOYSA-N -1 1 331.419 1.801 20 5 EDBDMM COc1cc(C)cc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599267139 449844593 /nfs/dbraw/zinc/84/45/93/449844593.db2.gz UNNDWFTUOCZPPS-UHFFFAOYSA-N -1 1 340.361 1.124 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)on1 ZINC000595346808 450060717 /nfs/dbraw/zinc/06/07/17/450060717.db2.gz XBKCNWHSNUSQMR-UHFFFAOYSA-N -1 1 327.318 1.378 20 5 EDBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1c([O-])cccc1F ZINC000609851103 450106251 /nfs/dbraw/zinc/10/62/51/450106251.db2.gz AQNAUHUUMDJZEJ-UHFFFAOYSA-N -1 1 333.275 1.808 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC2(CCOCC2)CC1 ZINC000618394553 450191822 /nfs/dbraw/zinc/19/18/22/450191822.db2.gz GLBWJFGUKVPOJO-UHFFFAOYSA-N -1 1 337.332 1.107 20 5 EDBDMM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868270 450346766 /nfs/dbraw/zinc/34/67/66/450346766.db2.gz IRQRIQVMVXPHTG-QMMMGPOBSA-N -1 1 333.304 1.285 20 5 EDBDMM CC1CCN(c2ccc(C(=O)NCc3nn[n-]n3)cc2[N+](=O)[O-])CC1 ZINC000609533011 485535408 /nfs/dbraw/zinc/53/54/08/485535408.db2.gz UNCRYYDVPFFSIE-UHFFFAOYSA-N -1 1 345.363 1.274 20 5 EDBDMM C[C@@H](CN1CCN(C)CC1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000736586121 579003265 /nfs/dbraw/zinc/00/32/65/579003265.db2.gz MBYXNROZPYHSGO-BPJJOFIESA-N -1 1 348.403 1.740 20 5 EDBDMM O=C([O-])[C@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739582893 579221358 /nfs/dbraw/zinc/22/13/58/579221358.db2.gz OEGGPHKAMLQGFQ-LBPRGKRZSA-N -1 1 331.332 1.607 20 5 EDBDMM O=C([O-])/C=C\c1ccc(N2CCN(CCCCO)CC2)c([N+](=O)[O-])c1 ZINC000739627197 579228099 /nfs/dbraw/zinc/22/80/99/579228099.db2.gz XHOQCMATAVWJOS-XQRVVYSFSA-N -1 1 349.387 1.587 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])NC1CCCC1 ZINC000746701596 579607170 /nfs/dbraw/zinc/60/71/70/579607170.db2.gz FLPSAFSBYXDADL-UHFFFAOYSA-N -1 1 345.352 1.071 20 5 EDBDMM NC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750813784 579782339 /nfs/dbraw/zinc/78/23/39/579782339.db2.gz QDPUINRJOCGJMU-AWEZNQCLSA-N -1 1 348.286 1.693 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000759024862 579997082 /nfs/dbraw/zinc/99/70/82/579997082.db2.gz JFHUKSGOGCUAOH-JTQLQIEISA-N -1 1 342.295 1.592 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776566658 580421281 /nfs/dbraw/zinc/42/12/81/580421281.db2.gz XOGZRVGXVSYPLT-LLVKDONJSA-N -1 1 334.361 1.347 20 5 EDBDMM O=C([N-]C[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)C(F)(F)F ZINC000811856628 593484437 /nfs/dbraw/zinc/48/44/37/593484437.db2.gz RPJPLZCXGAULEP-SECBINFHSA-N -1 1 332.282 1.885 20 5 EDBDMM CC(C)OC(=O)[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820137902 593794446 /nfs/dbraw/zinc/79/44/46/593794446.db2.gz PWNMPSNIPXGCGL-QMMMGPOBSA-N -1 1 335.324 1.170 20 5 EDBDMM CC(C)OC(=O)[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820137902 593794447 /nfs/dbraw/zinc/79/44/47/593794447.db2.gz PWNMPSNIPXGCGL-QMMMGPOBSA-N -1 1 335.324 1.170 20 5 EDBDMM CN(C)c1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821591125 593872587 /nfs/dbraw/zinc/87/25/87/593872587.db2.gz WYBUNODAMSETKU-UHFFFAOYSA-N -1 1 340.347 1.848 20 5 EDBDMM CN(C)c1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821591125 593872590 /nfs/dbraw/zinc/87/25/90/593872590.db2.gz WYBUNODAMSETKU-UHFFFAOYSA-N -1 1 340.347 1.848 20 5 EDBDMM CC(C)c1nnc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1C ZINC000824364672 593994728 /nfs/dbraw/zinc/99/47/28/593994728.db2.gz PLVIFTKJOUAMPA-UHFFFAOYSA-N -1 1 344.339 1.034 20 5 EDBDMM CC(C)c1nnc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1C ZINC000824364672 593994730 /nfs/dbraw/zinc/99/47/30/593994730.db2.gz PLVIFTKJOUAMPA-UHFFFAOYSA-N -1 1 344.339 1.034 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[O-])C[C@H]2C)c1[N+](=O)[O-] ZINC000824453856 594015849 /nfs/dbraw/zinc/01/58/49/594015849.db2.gz YTWPLBUNLHZPHB-RKDXNWHRSA-N -1 1 339.352 1.702 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOCc1ccccc1 ZINC000823624513 594222560 /nfs/dbraw/zinc/22/25/60/594222560.db2.gz AWNBTMNGILQHSI-UHFFFAOYSA-N -1 1 341.331 1.799 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOCc1ccccc1 ZINC000823624513 594222561 /nfs/dbraw/zinc/22/25/61/594222561.db2.gz AWNBTMNGILQHSI-UHFFFAOYSA-N -1 1 341.331 1.799 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1Cc2ccccc2C1 ZINC000823625505 594222666 /nfs/dbraw/zinc/22/26/66/594222666.db2.gz XBQLIROHPMRUNN-UHFFFAOYSA-N -1 1 337.343 1.997 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1Cc2ccccc2C1 ZINC000823625505 594222667 /nfs/dbraw/zinc/22/26/67/594222667.db2.gz XBQLIROHPMRUNN-UHFFFAOYSA-N -1 1 337.343 1.997 20 5 EDBDMM O=[N+]([O-])c1cc(N[C@H](CO)Cc2ccccc2)ccc1-c1nn[n-]n1 ZINC000823634700 594223303 /nfs/dbraw/zinc/22/33/03/594223303.db2.gz KFEDOLNSUYWYDB-ZDUSSCGKSA-N -1 1 340.343 1.790 20 5 EDBDMM Cc1nn(CN2CC[C@H](CN(C)C(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000830870070 594501087 /nfs/dbraw/zinc/50/10/87/594501087.db2.gz BJJDZRUROBYWBA-LLVKDONJSA-N -1 1 348.363 1.537 20 5 EDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832856196 594781326 /nfs/dbraw/zinc/78/13/26/594781326.db2.gz KEZMMNJDYIKTIP-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM CC(C)C[C@H](CNC(=O)[O-])NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000833792906 594930585 /nfs/dbraw/zinc/93/05/85/594930585.db2.gz AQQPDCDULJMSRW-SNVBAGLBSA-N -1 1 325.321 1.713 20 5 EDBDMM O=C1CCCN1CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000845992429 595115903 /nfs/dbraw/zinc/11/59/03/595115903.db2.gz LBWFZRRYUJIJFY-UHFFFAOYSA-N -1 1 347.780 1.149 20 5 EDBDMM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000843818349 595193552 /nfs/dbraw/zinc/19/35/52/595193552.db2.gz WLRHPVPOYGVXSO-SECBINFHSA-N -1 1 349.307 1.596 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COCC2(C)C)cc1F ZINC000867360410 595356685 /nfs/dbraw/zinc/35/66/85/595356685.db2.gz IPIBLQAMUNPMPI-LBPRGKRZSA-N -1 1 332.353 1.746 20 5 EDBDMM CCc1nnc(C[N-]C(=O)C(F)(F)Oc2cccc([N+](=O)[O-])c2)o1 ZINC000848584809 595409818 /nfs/dbraw/zinc/40/98/18/595409818.db2.gz AHFHPKYKIQLBTQ-UHFFFAOYSA-N -1 1 342.258 1.828 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000118958638 596333960 /nfs/dbraw/zinc/33/39/60/596333960.db2.gz QKACTILIWYNBNZ-ZDUSSCGKSA-N -1 1 342.398 1.842 20 5 EDBDMM CCC[N@H+]1CC[C@@H](NS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867528504 596417026 /nfs/dbraw/zinc/41/70/26/596417026.db2.gz PGMUZGDHHUEMPQ-LLVKDONJSA-N -1 1 345.396 1.805 20 5 EDBDMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000412390914 304004955 /nfs/dbraw/zinc/00/49/55/304004955.db2.gz KESZABWMQMUEMT-GXTWGEPZSA-N -1 1 329.312 1.990 20 5 EDBDMM O=C(NC[C@H]1CCN(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186911411 236061021 /nfs/dbraw/zinc/06/10/21/236061021.db2.gz IZLUCFHGHCIMHR-GFCCVEGCSA-N -1 1 342.355 1.952 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCO)C1CCSCC1 ZINC000565200224 306377786 /nfs/dbraw/zinc/37/77/86/306377786.db2.gz PXPBJFYQSICADM-UHFFFAOYSA-N -1 1 327.362 1.026 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cscn2)c([N+](=O)[O-])n1 ZINC000565492349 306385216 /nfs/dbraw/zinc/38/52/16/306385216.db2.gz UMAHZNGVWYVVOL-SSDOTTSWSA-N -1 1 331.379 1.307 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]C[C@@H](O)C(F)F ZINC000228620831 139023383 /nfs/dbraw/zinc/02/33/83/139023383.db2.gz TYJWCSYOXIQPCG-SSDOTTSWSA-N -1 1 330.696 1.153 20 5 EDBDMM COc1ccc(C)cc1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186795552 533383528 /nfs/dbraw/zinc/38/35/28/533383528.db2.gz SYSDSIHHPVNQCR-UHFFFAOYSA-N -1 1 331.328 1.985 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1O ZINC000270153642 140052446 /nfs/dbraw/zinc/05/24/46/140052446.db2.gz DHEKBYKPXVSBQG-GZMMTYOYSA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc2c(c1)OCCO2 ZINC000352769951 149157774 /nfs/dbraw/zinc/15/77/74/149157774.db2.gz JGPAWDHDIGQJTO-VIFPVBQESA-N -1 1 345.311 1.958 20 5 EDBDMM O=C(N[C@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357648064 151100500 /nfs/dbraw/zinc/10/05/00/151100500.db2.gz QYNRANFJSBRENS-GWCFXTLKSA-N -1 1 346.299 1.056 20 5 EDBDMM CN1C[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000364607733 153286768 /nfs/dbraw/zinc/28/67/68/153286768.db2.gz OXCALVYHZRQNKU-LLVKDONJSA-N -1 1 342.355 1.734 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCOCC1 ZINC000171098719 226888658 /nfs/dbraw/zinc/88/86/58/226888658.db2.gz QWSGLRHTZZREPN-UHFFFAOYSA-N -1 1 334.781 1.953 20 5 EDBDMM O=C(NCc1nc(-c2cccs2)no1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193484131 272994473 /nfs/dbraw/zinc/99/44/73/272994473.db2.gz KGWYYTOESSCNDR-UHFFFAOYSA-N -1 1 347.312 1.737 20 5 EDBDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@]12CCCO2 ZINC000273678122 268070212 /nfs/dbraw/zinc/07/02/12/268070212.db2.gz YPMGQKPCDRJWMN-ZOWXZIJZSA-N -1 1 337.332 1.152 20 5 EDBDMM C[C@H](CN(C)C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nn[n-]n1 ZINC000274744953 268196315 /nfs/dbraw/zinc/19/63/15/268196315.db2.gz GCKVUIGRKWWXHT-MRVPVSSYSA-N -1 1 329.320 1.465 20 5 EDBDMM C[C@@H]1CN(C(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C[C@H](C)O1 ZINC000277883427 273232274 /nfs/dbraw/zinc/23/22/74/273232274.db2.gz CNURLFKZULSPFU-DTORHVGOSA-N -1 1 335.320 1.151 20 5 EDBDMM CCn1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000285740125 274634583 /nfs/dbraw/zinc/63/45/83/274634583.db2.gz VUKVPCXDFQJNTA-UHFFFAOYSA-N -1 1 344.780 1.943 20 5 EDBDMM CC(C)[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000352596971 280112248 /nfs/dbraw/zinc/11/22/48/280112248.db2.gz OLNRFPJMDGNYCI-GFCCVEGCSA-N -1 1 349.796 1.427 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000194021057 280227854 /nfs/dbraw/zinc/22/78/54/280227854.db2.gz IRDUTLSEJNUGRX-KRWDZBQOSA-N -1 1 341.323 1.967 20 5 EDBDMM CC[C@@](C)(O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290652549 288931274 /nfs/dbraw/zinc/93/12/74/288931274.db2.gz FANTZPDAIWLORR-LLVKDONJSA-N -1 1 340.760 1.827 20 5 EDBDMM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290799219 288955352 /nfs/dbraw/zinc/95/53/52/288955352.db2.gz DOJBUEXFNNTCFT-YOEHRIQHSA-N -1 1 343.339 1.591 20 5 EDBDMM Cc1cccc(OC[C@H](O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000299128402 303587452 /nfs/dbraw/zinc/58/74/52/303587452.db2.gz KSNOVCZILCGZSE-GFCCVEGCSA-N -1 1 347.327 1.174 20 5 EDBDMM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431615754 305080728 /nfs/dbraw/zinc/08/07/28/305080728.db2.gz AJGBXOZJEIKZNL-SECBINFHSA-N -1 1 349.434 1.487 20 5 EDBDMM COC(=O)[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000433468164 305110198 /nfs/dbraw/zinc/11/01/98/305110198.db2.gz SFPGUUKWPXKZLA-JGVFFNPUSA-N -1 1 334.375 1.276 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1[N+](=O)[O-] ZINC000537730614 306029056 /nfs/dbraw/zinc/02/90/56/306029056.db2.gz KTPLPCKCEFXESE-UHFFFAOYSA-N -1 1 349.351 1.114 20 5 EDBDMM CCOc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000540423991 306039661 /nfs/dbraw/zinc/03/96/61/306039661.db2.gz VKTIIFASUDTHCO-NSHDSACASA-N -1 1 346.347 1.526 20 5 EDBDMM CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000044770518 440886289 /nfs/dbraw/zinc/88/62/89/440886289.db2.gz OHAHGQODLGZHPH-UHFFFAOYSA-N -1 1 349.796 1.441 20 5 EDBDMM Cc1cccc(CC2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)c1 ZINC000085649234 441447958 /nfs/dbraw/zinc/44/79/58/441447958.db2.gz XYOIIGBXXOELRG-UHFFFAOYSA-N -1 1 327.340 1.906 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000155477455 442401179 /nfs/dbraw/zinc/40/11/79/442401179.db2.gz UCTUAKIGRHPDGZ-GFCCVEGCSA-N -1 1 330.348 1.447 20 5 EDBDMM COC(=O)CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)s1 ZINC000265838652 442940775 /nfs/dbraw/zinc/94/07/75/442940775.db2.gz RXRXEPOHWAMGGR-UHFFFAOYSA-N -1 1 339.333 1.522 20 5 EDBDMM O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412957960 319254172 /nfs/dbraw/zinc/25/41/72/319254172.db2.gz YEVLEIFYDVIZLC-LBPRGKRZSA-N -1 1 346.318 1.843 20 5 EDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@H]2CCCCN12 ZINC000416516680 319438175 /nfs/dbraw/zinc/43/81/75/319438175.db2.gz QIOVSUMAUWHBJJ-BDAKNGLRSA-N -1 1 345.402 1.088 20 5 EDBDMM Cc1cc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)[nH]n1 ZINC000282829896 443444918 /nfs/dbraw/zinc/44/49/18/443444918.db2.gz QHYFQDXKIQHBHF-SNVBAGLBSA-N -1 1 331.332 1.747 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000283035508 443503480 /nfs/dbraw/zinc/50/34/80/443503480.db2.gz YYXIXBGKNZUFLJ-LBPRGKRZSA-N -1 1 345.359 1.345 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](C)C(F)(F)F ZINC000288279811 443830564 /nfs/dbraw/zinc/83/05/64/443830564.db2.gz FAQTVYNIEFGTPR-LURJTMIESA-N -1 1 328.268 1.833 20 5 EDBDMM COC(=O)[C@H](CC(C)C)N(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293596344 444065243 /nfs/dbraw/zinc/06/52/43/444065243.db2.gz GMPWMGGEWMWMIR-NSHDSACASA-N -1 1 325.321 1.355 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000278121903 444101990 /nfs/dbraw/zinc/10/19/90/444101990.db2.gz LTFSWRPIOFSJNA-LLVKDONJSA-N -1 1 330.300 1.384 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000290740059 444317442 /nfs/dbraw/zinc/31/74/42/444317442.db2.gz LWAGBIODCAISPV-SSDOTTSWSA-N -1 1 326.334 1.513 20 5 EDBDMM COc1ccccc1-c1nc([N-]C(=O)c2c[nH]nc2[N+](=O)[O-])n[nH]1 ZINC000580274091 322028899 /nfs/dbraw/zinc/02/88/99/322028899.db2.gz LBAVJBBDUOHBQC-UHFFFAOYSA-N -1 1 329.276 1.364 20 5 EDBDMM COC(=O)[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC1CC1 ZINC000580558852 322067340 /nfs/dbraw/zinc/06/73/40/322067340.db2.gz MLKLCXKZWRYAEQ-VIFPVBQESA-N -1 1 348.402 1.524 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCOC2CCCC2)c([N+](=O)[O-])n1 ZINC000339043377 445004754 /nfs/dbraw/zinc/00/47/54/445004754.db2.gz KTROOXJVRKOGQP-UHFFFAOYSA-N -1 1 346.409 1.439 20 5 EDBDMM O=C(N[C@@H]1CCCO[C@@H]1c1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000337562686 445138560 /nfs/dbraw/zinc/13/85/60/445138560.db2.gz OBJXBFLZMWHWTD-TZMCWYRMSA-N -1 1 344.327 1.741 20 5 EDBDMM CC(C)c1nnc(C[N-]c2nc(-c3ccc([N+](=O)[O-])cc3)no2)n1C ZINC000347452730 445238587 /nfs/dbraw/zinc/23/85/87/445238587.db2.gz RJTFESVWTXHBCR-UHFFFAOYSA-N -1 1 343.347 2.509 20 5 EDBDMM Cn1ccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000354708157 445347232 /nfs/dbraw/zinc/34/72/32/445347232.db2.gz LTXYVYPIAUWNBI-UHFFFAOYSA-N -1 1 344.780 1.503 20 5 EDBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000358954272 445863362 /nfs/dbraw/zinc/86/33/62/445863362.db2.gz NUVCGTQUTXQWKS-UHFFFAOYSA-N -1 1 331.741 1.730 20 5 EDBDMM CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@]2(CCOC2)O1 ZINC000373650423 446291279 /nfs/dbraw/zinc/29/12/79/446291279.db2.gz YSKWPODAONLNTP-XHDPSFHLSA-N -1 1 337.332 1.106 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000362292526 446308395 /nfs/dbraw/zinc/30/83/95/446308395.db2.gz CFQDECSMXTYCEC-VXGBXAGGSA-N -1 1 335.360 1.974 20 5 EDBDMM COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000370691755 446389317 /nfs/dbraw/zinc/38/93/17/446389317.db2.gz QLPPULREKZJSRL-BMIGLBTASA-N -1 1 335.316 1.111 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000435800253 446712449 /nfs/dbraw/zinc/71/24/49/446712449.db2.gz PQXUBNHAQUAARX-UHFFFAOYSA-N -1 1 342.352 1.471 20 5 EDBDMM COc1ccc([N-]S(=O)(=O)CCOCC2CC2)cc1[N+](=O)[O-] ZINC000424063930 446836300 /nfs/dbraw/zinc/83/63/00/446836300.db2.gz NDZPZTZPNHNFLC-UHFFFAOYSA-N -1 1 330.362 1.772 20 5 EDBDMM CN1C[C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc21 ZINC000444885788 447144625 /nfs/dbraw/zinc/14/46/25/447144625.db2.gz CLKHYGFCUOPIHK-NSHDSACASA-N -1 1 342.355 1.734 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(O[C@H]2CCOC2)CC1 ZINC000445000822 447155542 /nfs/dbraw/zinc/15/55/42/447155542.db2.gz PJNWWGMVCGUODM-LBPRGKRZSA-N -1 1 337.332 1.106 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)F)c([N+](=O)[O-])n1 ZINC000592067133 448657773 /nfs/dbraw/zinc/65/77/73/448657773.db2.gz NTVROXPYBSYHAO-ZETCQYMHSA-N -1 1 326.325 1.381 20 5 EDBDMM CCO[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1SC ZINC000592949781 449073226 /nfs/dbraw/zinc/07/32/26/449073226.db2.gz GJQYVVXBAUKSDP-MXWKQRLJSA-N -1 1 327.362 1.334 20 5 EDBDMM Cn1cc([C@H]2C[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)cn1 ZINC000590401554 449149005 /nfs/dbraw/zinc/14/90/05/449149005.db2.gz GECAEOZIHRZMAK-GXFFZTMASA-N -1 1 347.331 1.079 20 5 EDBDMM C[C@@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000600173363 449225794 /nfs/dbraw/zinc/22/57/94/449225794.db2.gz NFGPXHVUNZKIAJ-MRXNPFEDSA-N -1 1 345.311 1.655 20 5 EDBDMM COC(C)(C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000600661074 449477312 /nfs/dbraw/zinc/47/73/12/449477312.db2.gz WKTPDFQAZSWCLR-UHFFFAOYSA-N -1 1 346.361 1.768 20 5 EDBDMM COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598773197 449593299 /nfs/dbraw/zinc/59/32/99/449593299.db2.gz LETVGQBYRIABTP-WCQYABFASA-N -1 1 329.312 1.990 20 5 EDBDMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000614898424 449865663 /nfs/dbraw/zinc/86/56/63/449865663.db2.gz ZSPGQQBPMXJWKV-LBPRGKRZSA-N -1 1 349.265 1.879 20 5 EDBDMM COC(=O)[C@](C)([N-]S(=O)(=O)CCCF)c1cccc([N+](=O)[O-])c1 ZINC000599486332 450014574 /nfs/dbraw/zinc/01/45/74/450014574.db2.gz JQAJMGXYPURQDN-CYBMUJFWSA-N -1 1 348.352 1.262 20 5 EDBDMM O=C(NC1CCN(CC(F)F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618369950 450178873 /nfs/dbraw/zinc/17/88/73/450178873.db2.gz SKKUCSQFDIAJDS-UHFFFAOYSA-N -1 1 330.291 1.155 20 5 EDBDMM CCC(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000603920237 450377994 /nfs/dbraw/zinc/37/79/94/450377994.db2.gz NYBKLUUWPGOIIG-UHFFFAOYSA-N -1 1 344.327 1.974 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000445142029 491003016 /nfs/dbraw/zinc/00/30/16/491003016.db2.gz MOPPUHVUGIHOLB-MXUQEVIESA-N -1 1 349.368 1.924 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1 ZINC000132948312 533971520 /nfs/dbraw/zinc/97/15/20/533971520.db2.gz PYPPNMSWJGGEPH-VIFPVBQESA-N -1 1 332.353 1.827 20 5 EDBDMM O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])c([O-])c1 ZINC000728697311 578550678 /nfs/dbraw/zinc/55/06/78/578550678.db2.gz NKLJPURQJCMQCH-WQLSENKSSA-N -1 1 325.280 1.762 20 5 EDBDMM CCc1[nH]nc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000739540300 579216556 /nfs/dbraw/zinc/21/65/56/579216556.db2.gz RQAJAEZZPMGCBE-OCAPTIKFSA-N -1 1 325.325 1.093 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1F ZINC000751197304 579796922 /nfs/dbraw/zinc/79/69/22/579796922.db2.gz XDPZTHHBWZADML-NSHDSACASA-N -1 1 341.320 1.141 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCSC(C)(C)C)c([N+](=O)[O-])n1 ZINC000754802714 579912805 /nfs/dbraw/zinc/91/28/05/579912805.db2.gz JFHPTEMJLBWFMF-UHFFFAOYSA-N -1 1 336.439 1.621 20 5 EDBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000754881586 579915103 /nfs/dbraw/zinc/91/51/03/579915103.db2.gz BGAXSYMJLGYLTM-QMMMGPOBSA-N -1 1 334.375 1.276 20 5 EDBDMM CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769049661 580226476 /nfs/dbraw/zinc/22/64/76/580226476.db2.gz QBHFKHJBJQGSCZ-UHFFFAOYSA-N -1 1 339.304 1.082 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563125 580420854 /nfs/dbraw/zinc/42/08/54/580420854.db2.gz GWTPFOUJQYELKD-UXONFWTHSA-N -1 1 346.372 1.438 20 5 EDBDMM O=[N+]([O-])c1ccc(Br)c(S(=O)(=O)[N-]CCF)c1 ZINC000797842835 580982156 /nfs/dbraw/zinc/98/21/56/580982156.db2.gz DHRZMLWYVQFGCL-UHFFFAOYSA-N -1 1 327.131 1.605 20 5 EDBDMM CC(C)N(CCC(=O)[O-])CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000736465369 593010670 /nfs/dbraw/zinc/01/06/70/593010670.db2.gz APSQTCLNMFNGRE-UHFFFAOYSA-N -1 1 335.360 1.669 20 5 EDBDMM CCc1[nH]nc(C(=O)N(CC(=O)[O-])Cc2ccccc2)c1[N+](=O)[O-] ZINC000737246362 593072331 /nfs/dbraw/zinc/07/23/31/593072331.db2.gz SFXHYXLBVREZKN-UHFFFAOYSA-N -1 1 332.316 1.607 20 5 EDBDMM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809832476 593363708 /nfs/dbraw/zinc/36/37/08/593363708.db2.gz PUMJBGKYHCXDDR-BQBZGAKWSA-N -1 1 340.760 1.825 20 5 EDBDMM CC1(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)OCCO1 ZINC000761575569 593418394 /nfs/dbraw/zinc/41/83/94/593418394.db2.gz GSTVKXXCEPJPFI-UHFFFAOYSA-N -1 1 337.332 1.311 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccsc1 ZINC000820467588 593820912 /nfs/dbraw/zinc/82/09/12/593820912.db2.gz KFCAJGIIANQIMP-CYBMUJFWSA-N -1 1 347.360 1.551 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccsc1 ZINC000820467588 593820913 /nfs/dbraw/zinc/82/09/13/593820913.db2.gz KFCAJGIIANQIMP-CYBMUJFWSA-N -1 1 347.360 1.551 20 5 EDBDMM Cc1ccc(NCCCc2[nH]nc(N)c2-c2nnn[n-]2)c([N+](=O)[O-])c1 ZINC000822255365 594018921 /nfs/dbraw/zinc/01/89/21/594018921.db2.gz ZVEWNZICTONFOF-UHFFFAOYSA-N -1 1 343.351 1.433 20 5 EDBDMM Cc1ccc(NCCCc2[nH]nc(N)c2-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000822255365 594018923 /nfs/dbraw/zinc/01/89/23/594018923.db2.gz ZVEWNZICTONFOF-UHFFFAOYSA-N -1 1 343.351 1.433 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nc(C2CC2)no1 ZINC000823625127 594222610 /nfs/dbraw/zinc/22/26/10/594222610.db2.gz PWGVPAASCYDJFS-UHFFFAOYSA-N -1 1 329.280 1.042 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nc(C2CC2)no1 ZINC000823625127 594222611 /nfs/dbraw/zinc/22/26/11/594222611.db2.gz PWGVPAASCYDJFS-UHFFFAOYSA-N -1 1 329.280 1.042 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1Cc2ccccc2O1 ZINC000823624898 594222710 /nfs/dbraw/zinc/22/27/10/594222710.db2.gz JURAMFVGKPUTLV-SNVBAGLBSA-N -1 1 339.315 1.586 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1Cc2ccccc2O1 ZINC000823624898 594222711 /nfs/dbraw/zinc/22/27/11/594222711.db2.gz JURAMFVGKPUTLV-SNVBAGLBSA-N -1 1 339.315 1.586 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000828024843 594324856 /nfs/dbraw/zinc/32/48/56/594324856.db2.gz YFCLJPZONSBIBG-AWEZNQCLSA-N -1 1 341.751 1.983 20 5 EDBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000826330088 594428127 /nfs/dbraw/zinc/42/81/27/594428127.db2.gz DZXHRFXPBQIQBP-UHFFFAOYSA-N -1 1 341.287 1.436 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC([C@@H]2CCOC2)CC1 ZINC000826496908 594501929 /nfs/dbraw/zinc/50/19/29/594501929.db2.gz NMNCSCMKMIAWBG-LLVKDONJSA-N -1 1 345.363 1.423 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC([C@@H]2CCOC2)CC1 ZINC000826496908 594501931 /nfs/dbraw/zinc/50/19/31/594501931.db2.gz NMNCSCMKMIAWBG-LLVKDONJSA-N -1 1 345.363 1.423 20 5 EDBDMM COc1ccc(OCCN2CCC[C@H]2CNC(=O)[O-])c([N+](=O)[O-])c1 ZINC000829500836 594627228 /nfs/dbraw/zinc/62/72/28/594627228.db2.gz PYWOAUSBDALVCR-NSHDSACASA-N -1 1 339.348 1.714 20 5 EDBDMM COC(=O)[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832030194 594720631 /nfs/dbraw/zinc/72/06/31/594720631.db2.gz IQZZEBGARRZQQM-SCZZXKLOSA-N -1 1 346.336 1.354 20 5 EDBDMM O=C([O-])C[C@@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833211086 594805278 /nfs/dbraw/zinc/80/52/78/594805278.db2.gz AWUQNFARLIUQOD-ZDUSSCGKSA-N -1 1 331.332 1.750 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833211086 594805279 /nfs/dbraw/zinc/80/52/79/594805279.db2.gz AWUQNFARLIUQOD-ZDUSSCGKSA-N -1 1 331.332 1.750 20 5 EDBDMM CCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000843818350 595193941 /nfs/dbraw/zinc/19/39/41/595193941.db2.gz WLRHPVPOYGVXSO-VIFPVBQESA-N -1 1 349.307 1.596 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nccn1C ZINC000851856604 595949358 /nfs/dbraw/zinc/94/93/58/595949358.db2.gz WEHMGZIBHLWKMF-MRVPVSSYSA-N -1 1 328.325 1.507 20 5 EDBDMM COCC1CC([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])C1 ZINC000867839458 596579886 /nfs/dbraw/zinc/57/98/86/596579886.db2.gz BDVYDZSYAZLOEY-UHFFFAOYSA-N -1 1 332.353 1.746 20 5 EDBDMM C[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739183968 602777225 /nfs/dbraw/zinc/77/72/25/602777225.db2.gz IERCUUJDVIPWKM-CABZTGNLSA-N -1 1 336.348 1.172 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@]12C[C@H]1COC21CCC1 ZINC000922105023 709689916 /nfs/dbraw/zinc/68/99/16/709689916.db2.gz FXWRHYOVHNPYOH-LKFCYVNXSA-N -1 1 342.348 1.724 20 5 EDBDMM Cc1sc(S(=O)(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000123606783 138319719 /nfs/dbraw/zinc/31/97/19/138319719.db2.gz ZUDTZAYRUWKAOZ-QMMMGPOBSA-N -1 1 333.435 1.726 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(C2CCOCC2)CC1 ZINC000174988806 207080381 /nfs/dbraw/zinc/08/03/81/207080381.db2.gz QZEUXHOMIFBSSJ-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM C[S@](=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000175279558 207111488 /nfs/dbraw/zinc/11/14/88/207111488.db2.gz UXYIMIPQOQGACG-QHCPKHFHSA-N -1 1 335.341 1.363 20 5 EDBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@H]1CCCOC1 ZINC000262774400 139302613 /nfs/dbraw/zinc/30/26/13/139302613.db2.gz LQOQNPBNUALCIB-QPUJVOFHSA-N -1 1 348.315 1.081 20 5 EDBDMM COC[C@@](C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000272150669 140409049 /nfs/dbraw/zinc/40/90/49/140409049.db2.gz LXNMOLNETIDAQS-CYBMUJFWSA-N -1 1 346.286 1.381 20 5 EDBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1NS(C)(=O)=O ZINC000347696518 143351069 /nfs/dbraw/zinc/35/10/69/143351069.db2.gz DOFYXFHVBINLMV-UHFFFAOYSA-N -1 1 338.345 1.855 20 5 EDBDMM COC(=O)[C@@H](CC1CC1)[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000416581080 304333684 /nfs/dbraw/zinc/33/36/84/304333684.db2.gz JGLWFKJQUVANKV-GFCCVEGCSA-N -1 1 342.373 1.356 20 5 EDBDMM O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000358321128 151336254 /nfs/dbraw/zinc/33/62/54/151336254.db2.gz QPBKLQNMEBGHJP-UHFFFAOYSA-N -1 1 342.311 1.824 20 5 EDBDMM CC(C)OC(=O)CC[C@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000352493015 162211549 /nfs/dbraw/zinc/21/15/49/162211549.db2.gz NWHVTKXVCSCTDS-VIFPVBQESA-N -1 1 325.321 1.546 20 5 EDBDMM CSC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCOCC1 ZINC000275103338 268281437 /nfs/dbraw/zinc/28/14/37/268281437.db2.gz JDZAMSMPRAASDW-UHFFFAOYSA-N -1 1 327.362 1.337 20 5 EDBDMM CC[C@@H](C)c1nnc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[nH]1 ZINC000278047845 273243656 /nfs/dbraw/zinc/24/36/56/273243656.db2.gz ZVQFQUNZWHQCLU-SFYZADRCSA-N -1 1 334.336 1.818 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000435810691 305147689 /nfs/dbraw/zinc/14/76/89/305147689.db2.gz UPFSYKHNIHJFOU-UHFFFAOYSA-N -1 1 342.352 1.471 20 5 EDBDMM Cc1c(CC(=O)NC2(c3nn[n-]n3)CCCC2)cccc1[N+](=O)[O-] ZINC000438827286 305189541 /nfs/dbraw/zinc/18/95/41/305189541.db2.gz IPDDEAFZXZFMNX-UHFFFAOYSA-N -1 1 330.348 1.545 20 5 EDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)c1 ZINC000442334844 305228862 /nfs/dbraw/zinc/22/88/62/305228862.db2.gz FPVDRYZUXHGSJC-UHFFFAOYSA-N -1 1 338.341 1.767 20 5 EDBDMM NC(=O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000014098066 441171389 /nfs/dbraw/zinc/17/13/89/441171389.db2.gz HELGUTRHWJNLSI-CYBMUJFWSA-N -1 1 335.341 1.100 20 5 EDBDMM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1OC ZINC000016494588 441226314 /nfs/dbraw/zinc/22/63/14/441226314.db2.gz OQVQOIBOGQYIOC-UHFFFAOYSA-N -1 1 333.300 1.643 20 5 EDBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(C)C ZINC000072715096 441253963 /nfs/dbraw/zinc/25/39/63/441253963.db2.gz QKGHZAAKFGMVBF-LLVKDONJSA-N -1 1 331.394 1.719 20 5 EDBDMM Cc1ccc(NC(=O)Cc2sc(N(C)C)nc2[O-])c([N+](=O)[O-])c1 ZINC000028757229 441437332 /nfs/dbraw/zinc/43/73/32/441437332.db2.gz WQVUHRAHNUQRND-NSHDSACASA-N -1 1 336.373 1.791 20 5 EDBDMM CCn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]c1=S ZINC000067076237 441603490 /nfs/dbraw/zinc/60/34/90/441603490.db2.gz UPTVFVFNCOMPBX-UHFFFAOYSA-N -1 1 339.352 1.980 20 5 EDBDMM Cc1nccc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000056126560 441691319 /nfs/dbraw/zinc/69/13/19/441691319.db2.gz XYBYWURQZPXHQG-UHFFFAOYSA-N -1 1 342.764 1.825 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccsc2)C1 ZINC000193694517 442768063 /nfs/dbraw/zinc/76/80/63/442768063.db2.gz RMPKIFIYGGIETL-GFCCVEGCSA-N -1 1 335.341 1.971 20 5 EDBDMM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C[C@@H](C)O ZINC000182738724 442816233 /nfs/dbraw/zinc/81/62/33/442816233.db2.gz HWQQQPVFEVRTTC-YPMHNXCESA-N -1 1 337.376 1.218 20 5 EDBDMM COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000448738625 320155620 /nfs/dbraw/zinc/15/56/20/320155620.db2.gz PQJGOVLXGBVXOC-NDMJEZRESA-N -1 1 349.343 1.642 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H]1Cc1ccccc1 ZINC000525698862 320491713 /nfs/dbraw/zinc/49/17/13/320491713.db2.gz OYMAATUYWYNZBV-OLZOCXBDSA-N -1 1 333.369 1.899 20 5 EDBDMM COC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281190485 443843202 /nfs/dbraw/zinc/84/32/02/443843202.db2.gz OJYBAZZWNAVLOI-UHFFFAOYSA-N -1 1 340.716 1.229 20 5 EDBDMM CC(C)O[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000547331557 320824097 /nfs/dbraw/zinc/82/40/97/320824097.db2.gz LQLRBHFRFIQYMP-RYUDHWBXSA-N -1 1 343.405 1.860 20 5 EDBDMM CC(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000547331556 320824202 /nfs/dbraw/zinc/82/42/02/320824202.db2.gz LQLRBHFRFIQYMP-NWDGAFQWSA-N -1 1 343.405 1.860 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCCO)cc1Cl ZINC000289260096 444089215 /nfs/dbraw/zinc/08/92/15/444089215.db2.gz AAVSCBOCGRLRJE-UHFFFAOYSA-N -1 1 326.733 1.438 20 5 EDBDMM CN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340671674 444477389 /nfs/dbraw/zinc/47/73/89/444477389.db2.gz PQVFRKGBBQXRGX-UHFFFAOYSA-N -1 1 332.316 1.642 20 5 EDBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1(O)CCCC1 ZINC000580696267 322082625 /nfs/dbraw/zinc/08/26/25/322082625.db2.gz RNDHTYAKFHVNQY-UHFFFAOYSA-N -1 1 343.405 1.599 20 5 EDBDMM CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1 ZINC000580785665 322096024 /nfs/dbraw/zinc/09/60/24/322096024.db2.gz JJSHROJOFCARJG-SKDRFNHKSA-N -1 1 348.315 1.175 20 5 EDBDMM NC(=O)c1cc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000339016284 444987356 /nfs/dbraw/zinc/98/73/56/444987356.db2.gz ITLUWKXXMQCOGN-SNVBAGLBSA-N -1 1 345.359 1.502 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])n1 ZINC000339041870 445003783 /nfs/dbraw/zinc/00/37/83/445003783.db2.gz BMZKMJCKLXQISO-ZJUUUORDSA-N -1 1 332.382 1.047 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)COc2ccccc2[N+](=O)[O-])n1 ZINC000339178751 445075137 /nfs/dbraw/zinc/07/51/37/445075137.db2.gz UQDZXHQYPBDFGP-UHFFFAOYSA-N -1 1 334.288 1.512 20 5 EDBDMM CC(C)(C)NC(=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341867102 445041759 /nfs/dbraw/zinc/04/17/59/445041759.db2.gz OHBKJRFNIQALRM-UHFFFAOYSA-N -1 1 335.407 1.239 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc2c(c1)OCO2 ZINC000343516901 445237343 /nfs/dbraw/zinc/23/73/43/445237343.db2.gz JMRMOAZVJVNDNF-QMMMGPOBSA-N -1 1 331.284 1.915 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cn3ccsc3n2)s1 ZINC000348335107 445260467 /nfs/dbraw/zinc/26/04/67/445260467.db2.gz BVTKLEWRZCLRFO-UHFFFAOYSA-N -1 1 344.399 1.844 20 5 EDBDMM CN(C)C(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)cn1 ZINC000357118068 445437212 /nfs/dbraw/zinc/43/72/12/445437212.db2.gz JCMDFEJARFGFRC-UHFFFAOYSA-N -1 1 328.288 1.737 20 5 EDBDMM CCc1nc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)no1 ZINC000360262279 445663911 /nfs/dbraw/zinc/66/39/11/445663911.db2.gz QSMFIYBIVKZXOI-VIFPVBQESA-N -1 1 347.331 1.661 20 5 EDBDMM O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000399233620 325747982 /nfs/dbraw/zinc/74/79/82/325747982.db2.gz ASKUKLMIGUFZOZ-JTQLQIEISA-N -1 1 332.309 1.266 20 5 EDBDMM O=C(NC[C@H]1CC(=O)Nc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365652144 446288607 /nfs/dbraw/zinc/28/86/07/446288607.db2.gz YVZVUFJVDYUWLR-SECBINFHSA-N -1 1 342.311 1.551 20 5 EDBDMM CC(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000538970479 448604603 /nfs/dbraw/zinc/60/46/03/448604603.db2.gz ZVGKHRSFEJXSRV-GHMZBOCLSA-N -1 1 329.378 1.472 20 5 EDBDMM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2c(C)[n-][nH]c2=O)cc1OC ZINC000590564023 449193855 /nfs/dbraw/zinc/19/38/55/449193855.db2.gz BWVXDIQGJVWKMU-UHFFFAOYSA-N -1 1 336.304 1.992 20 5 EDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000604432243 449230451 /nfs/dbraw/zinc/23/04/51/449230451.db2.gz OGHGXHLNODKMBQ-SECBINFHSA-N -1 1 333.797 1.621 20 5 EDBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])s1 ZINC000604513244 449242572 /nfs/dbraw/zinc/24/25/72/449242572.db2.gz NDQRRCIXQKOOST-LLVKDONJSA-N -1 1 330.329 1.689 20 5 EDBDMM C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598473507 449412083 /nfs/dbraw/zinc/41/20/83/449412083.db2.gz JDDNUKCKARPLSN-IINYFYTJSA-N -1 1 331.328 1.590 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)n1 ZINC000600650722 449472063 /nfs/dbraw/zinc/47/20/63/449472063.db2.gz PQLCULPFJVYPET-UHFFFAOYSA-N -1 1 328.354 1.150 20 5 EDBDMM COc1cccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)OC)c1 ZINC000600831448 449570098 /nfs/dbraw/zinc/57/00/98/449570098.db2.gz YGBGMETVXLHFTB-CQSZACIVSA-N -1 1 347.327 1.822 20 5 EDBDMM Cc1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000600870422 449578333 /nfs/dbraw/zinc/57/83/33/449578333.db2.gz SITHLZNXTNENKN-UHFFFAOYSA-N -1 1 335.360 1.524 20 5 EDBDMM Cc1cncc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000594871402 449786845 /nfs/dbraw/zinc/78/68/45/449786845.db2.gz KHHXSWPUQDQWFX-UHFFFAOYSA-N -1 1 328.375 1.276 20 5 EDBDMM CCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccccn3)n2)c1[N+](=O)[O-] ZINC000610337326 450195223 /nfs/dbraw/zinc/19/52/23/450195223.db2.gz HWOSYJHHFQBVDV-UHFFFAOYSA-N -1 1 328.292 1.313 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@@H](N2CCOCC2)CC1 ZINC000619871331 450348448 /nfs/dbraw/zinc/34/84/48/450348448.db2.gz CSPFJKMWUOZPGC-CYBMUJFWSA-N -1 1 349.387 1.627 20 5 EDBDMM CN(CCOc1ccccc1F)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813989 536402332 /nfs/dbraw/zinc/40/23/32/536402332.db2.gz OBBNIDAMVLAWGD-UHFFFAOYSA-N -1 1 335.291 1.573 20 5 EDBDMM O=C([O-])N1CC[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000740502672 579354261 /nfs/dbraw/zinc/35/42/61/579354261.db2.gz GQNVVTHUPLDETD-ZDUSSCGKSA-N -1 1 334.376 1.717 20 5 EDBDMM O=C([O-])NC1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000740559820 579360769 /nfs/dbraw/zinc/36/07/69/579360769.db2.gz MONDTDOQDOWCMM-UHFFFAOYSA-N -1 1 347.331 1.780 20 5 EDBDMM C[C@H](C[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000759793748 580015234 /nfs/dbraw/zinc/01/52/34/580015234.db2.gz SFNPEBDXZIRYRM-ZJUUUORDSA-N -1 1 332.353 1.827 20 5 EDBDMM CCc1[nH]nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000737245933 579059373 /nfs/dbraw/zinc/05/93/73/579059373.db2.gz OLYZHSUYRKSVCL-IEBDPFPHSA-N -1 1 336.348 1.738 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)o1 ZINC000778020856 580455057 /nfs/dbraw/zinc/45/50/57/580455057.db2.gz VEMBSGJUVMQEJA-ZETCQYMHSA-N -1 1 344.324 1.773 20 5 EDBDMM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751466537 579808693 /nfs/dbraw/zinc/80/86/93/579808693.db2.gz GXMJUYSFTPHOIW-UWVGGRQHSA-N -1 1 334.369 1.809 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000752051591 579835776 /nfs/dbraw/zinc/83/57/76/579835776.db2.gz KOBVVWLMSIAEKE-HNNXBMFYSA-N -1 1 349.368 1.102 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)s1 ZINC000755951759 579939386 /nfs/dbraw/zinc/93/93/86/579939386.db2.gz PYLXDABFIUEUOC-SECBINFHSA-N -1 1 346.386 1.379 20 5 EDBDMM Cn1[n-]c(COC(=O)c2c([N+](=O)[O-])cccc2C(F)(F)F)nc1=O ZINC000765506902 580144316 /nfs/dbraw/zinc/14/43/16/580144316.db2.gz HIEBXHNTVFRCSD-UHFFFAOYSA-N -1 1 346.221 1.392 20 5 EDBDMM Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765506835 580144335 /nfs/dbraw/zinc/14/43/35/580144335.db2.gz GJIMLSLPWFOJDA-UHFFFAOYSA-N -1 1 326.696 1.335 20 5 EDBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776321639 580414826 /nfs/dbraw/zinc/41/48/26/580414826.db2.gz UNGJHSNSCHDLMZ-UHFFFAOYSA-N -1 1 347.287 1.446 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccnc1-2 ZINC000791167554 580785669 /nfs/dbraw/zinc/78/56/69/580785669.db2.gz RUONRGYHMCAKAA-UHFFFAOYSA-N -1 1 342.271 1.411 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)COc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000791166885 580785694 /nfs/dbraw/zinc/78/56/94/580785694.db2.gz LKEIMWLAWMWHJE-UHFFFAOYSA-N -1 1 327.300 1.268 20 5 EDBDMM O=C([N-]CC1CCN(c2ccncc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000798404876 580996348 /nfs/dbraw/zinc/99/63/48/580996348.db2.gz UQYQCEPDQLHJRP-UHFFFAOYSA-N -1 1 332.282 1.885 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)NCc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000806484445 593450246 /nfs/dbraw/zinc/45/02/46/593450246.db2.gz BWYWJFFQJZZKSK-UHFFFAOYSA-N -1 1 326.316 1.572 20 5 EDBDMM O=C([N-]CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21)C(F)(F)F ZINC000813578935 593541334 /nfs/dbraw/zinc/54/13/34/593541334.db2.gz MHDMVLSBVGVXKO-UHFFFAOYSA-N -1 1 343.261 1.978 20 5 EDBDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000817147181 593576711 /nfs/dbraw/zinc/57/67/11/593576711.db2.gz YDJOHPANCZCACO-UWVGGRQHSA-N -1 1 332.353 1.970 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCCCCO ZINC000815041571 593611522 /nfs/dbraw/zinc/61/15/22/593611522.db2.gz IGJVQRKEDITSMN-UHFFFAOYSA-N -1 1 340.760 1.828 20 5 EDBDMM CCCc1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)o1 ZINC000821143391 593976287 /nfs/dbraw/zinc/97/62/87/593976287.db2.gz UPAQLSWJIMFSMG-UHFFFAOYSA-N -1 1 334.321 1.657 20 5 EDBDMM Cc1cc([C@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])no1 ZINC000822198844 594007799 /nfs/dbraw/zinc/00/77/99/594007799.db2.gz LZIHPLJSUOOZCE-LLVKDONJSA-N -1 1 342.319 1.808 20 5 EDBDMM Cc1cc([C@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])no1 ZINC000822198844 594007801 /nfs/dbraw/zinc/00/78/01/594007801.db2.gz LZIHPLJSUOOZCE-LLVKDONJSA-N -1 1 342.319 1.808 20 5 EDBDMM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826498869 594502818 /nfs/dbraw/zinc/50/28/18/594502818.db2.gz MQTFUHRFJNXGQA-ZDUSSCGKSA-N -1 1 326.316 1.920 20 5 EDBDMM O=[N+]([O-])c1ccc(N[C@@H](CO)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826498869 594502820 /nfs/dbraw/zinc/50/28/20/594502820.db2.gz MQTFUHRFJNXGQA-ZDUSSCGKSA-N -1 1 326.316 1.920 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCn2ccnc21 ZINC000831738611 594697773 /nfs/dbraw/zinc/69/77/73/594697773.db2.gz MOMIDXXBOXZMBH-SECBINFHSA-N -1 1 326.309 1.354 20 5 EDBDMM Cc1cc(Cl)c(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000832125352 594728252 /nfs/dbraw/zinc/72/82/52/594728252.db2.gz BMYHGNKLZJAAKV-MRVPVSSYSA-N -1 1 338.755 1.945 20 5 EDBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832690276 594769325 /nfs/dbraw/zinc/76/93/25/594769325.db2.gz FEFXTIYLPSHCND-GHMZBOCLSA-N -1 1 332.353 1.970 20 5 EDBDMM CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@H]1CCN(C(=O)[O-])C1 ZINC000833854227 594949565 /nfs/dbraw/zinc/94/95/65/594949565.db2.gz RUWIIDDFKORXTF-NSHDSACASA-N -1 1 337.332 1.905 20 5 EDBDMM CCCN(C(=O)c1cc(O)cc([N+](=O)[O-])c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000833854226 594949663 /nfs/dbraw/zinc/94/96/63/594949663.db2.gz RUWIIDDFKORXTF-LLVKDONJSA-N -1 1 337.332 1.905 20 5 EDBDMM O=C([O-])N1CCCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000834104206 595015531 /nfs/dbraw/zinc/01/55/31/595015531.db2.gz OYIRCSXSVYVJSS-GFCCVEGCSA-N -1 1 339.348 1.020 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2COCC2(C)C)cc1F ZINC000867360407 595356697 /nfs/dbraw/zinc/35/66/97/595356697.db2.gz IPIBLQAMUNPMPI-GFCCVEGCSA-N -1 1 332.353 1.746 20 5 EDBDMM O=C([O-])C1=CC[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000853068450 595653562 /nfs/dbraw/zinc/65/35/62/595653562.db2.gz AWRXRTDOYPDPLN-QMMMGPOBSA-N -1 1 330.293 1.186 20 5 EDBDMM COCC1CC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000867841640 596581127 /nfs/dbraw/zinc/58/11/27/596581127.db2.gz KIJPGPYBRLFWFV-UHFFFAOYSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C(NCCN1CCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000918327042 697152728 /nfs/dbraw/zinc/15/27/28/697152728.db2.gz XYHVBHQFNGJDSW-UHFFFAOYSA-N -1 1 328.328 1.488 20 5 EDBDMM CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000413595651 304068728 /nfs/dbraw/zinc/06/87/28/304068728.db2.gz ROSPWYMAOIEQPQ-XQQFMLRXSA-N -1 1 330.348 1.869 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1CC(F)(F)F ZINC000187216161 236149087 /nfs/dbraw/zinc/14/90/87/236149087.db2.gz YLIWAUOJBGWQMN-QMMMGPOBSA-N -1 1 348.281 1.404 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1cccc(F)c1 ZINC000565982276 306396171 /nfs/dbraw/zinc/39/61/71/306396171.db2.gz CDAYZNKVDNWFJY-NEPJUHHUSA-N -1 1 337.332 1.963 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2c3ccccc3C[C@@H]2O)s1 ZINC000151975240 204179142 /nfs/dbraw/zinc/17/91/42/204179142.db2.gz VJEGIEWWJKBBDU-GXFFZTMASA-N -1 1 340.382 1.593 20 5 EDBDMM CNc1nc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)ccc1[N+](=O)[O-] ZINC000425296113 252304109 /nfs/dbraw/zinc/30/41/09/252304109.db2.gz GOTXGBWULIDOIG-MRVPVSSYSA-N -1 1 348.319 1.140 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000270548838 140121684 /nfs/dbraw/zinc/12/16/84/140121684.db2.gz LRWLOIJTXZTQNY-VIFPVBQESA-N -1 1 328.268 1.186 20 5 EDBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000346124927 143170215 /nfs/dbraw/zinc/17/02/15/143170215.db2.gz JSFQGHYSWRZREC-TZMCWYRMSA-N -1 1 344.327 1.693 20 5 EDBDMM Cn1ncc2c1ncc(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c2O ZINC000358321918 151337009 /nfs/dbraw/zinc/33/70/09/151337009.db2.gz BMINTKOQQPQEOT-UHFFFAOYSA-N -1 1 329.272 1.540 20 5 EDBDMM O=C(N[C@@H]1C[C@@]12CCOc1ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373114560 156693576 /nfs/dbraw/zinc/69/35/76/156693576.db2.gz AZQBFNAMHIIMPL-RHSMWYFYSA-N -1 1 341.323 1.918 20 5 EDBDMM COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000374663994 157361172 /nfs/dbraw/zinc/36/11/72/157361172.db2.gz OQXLJMRTMGDMRO-BJOHPYRUSA-N -1 1 335.316 1.111 20 5 EDBDMM COC(=O)CCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299281905 303601517 /nfs/dbraw/zinc/60/15/17/303601517.db2.gz OOIWXMVJBMCZNG-UHFFFAOYSA-N -1 1 334.325 1.356 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000158508210 304802517 /nfs/dbraw/zinc/80/25/17/304802517.db2.gz UGJNOUUINBENES-MWLCHTKSSA-N -1 1 334.781 1.830 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOc2ccc(F)cc2C1 ZINC000429527125 305031432 /nfs/dbraw/zinc/03/14/32/305031432.db2.gz JIWLDQOASSDLQQ-UHFFFAOYSA-N -1 1 333.275 1.869 20 5 EDBDMM CNC(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000435950111 305150106 /nfs/dbraw/zinc/15/01/06/305150106.db2.gz VAFLACRKVNTHPO-GFCCVEGCSA-N -1 1 344.327 1.303 20 5 EDBDMM CCn1cc([C@@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cn1 ZINC000452013522 305378252 /nfs/dbraw/zinc/37/82/52/305378252.db2.gz YUQBYNVHSFVHJZ-SECBINFHSA-N -1 1 342.381 1.067 20 5 EDBDMM Cc1ccc(C[C@@H](CO)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1C ZINC000457240966 305485515 /nfs/dbraw/zinc/48/55/15/305485515.db2.gz DTLXHPQNZNANBJ-AWEZNQCLSA-N -1 1 345.355 1.646 20 5 EDBDMM CC[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO1 ZINC000487399350 305549669 /nfs/dbraw/zinc/54/96/69/305549669.db2.gz LRUAMPUDQBVTEX-SNVBAGLBSA-N -1 1 349.434 1.045 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000515967230 305730404 /nfs/dbraw/zinc/73/04/04/305730404.db2.gz ULDWWLSARMVVDX-SECBINFHSA-N -1 1 349.265 1.879 20 5 EDBDMM Cc1noc(C)c1C[C@@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525189386 305823540 /nfs/dbraw/zinc/82/35/40/305823540.db2.gz LGCGGZQZKLJZSS-MRVPVSSYSA-N -1 1 340.361 1.504 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccn2ccnc2c1 ZINC000532147781 305975260 /nfs/dbraw/zinc/97/52/60/305975260.db2.gz KZPIBSBYTOLVHD-UHFFFAOYSA-N -1 1 333.329 1.116 20 5 EDBDMM CC(C)[C@@H](O)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000538284888 306030503 /nfs/dbraw/zinc/03/05/03/306030503.db2.gz KNHWTXMBHVSNJZ-LLVKDONJSA-N -1 1 329.378 1.065 20 5 EDBDMM O=C([O-])[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000164656138 442200316 /nfs/dbraw/zinc/20/03/16/442200316.db2.gz OZDAJLFCZCYZOI-GFCCVEGCSA-N -1 1 333.344 1.281 20 5 EDBDMM O=C(NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CCC1 ZINC000176912866 442272228 /nfs/dbraw/zinc/27/22/28/442272228.db2.gz QFRNKFRIFYMZTG-UHFFFAOYSA-N -1 1 347.418 1.241 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CCOCC1 ZINC000132948503 442403273 /nfs/dbraw/zinc/40/32/73/442403273.db2.gz PYPPNMSWJGGEPH-SECBINFHSA-N -1 1 332.353 1.827 20 5 EDBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000192004444 442563064 /nfs/dbraw/zinc/56/30/64/442563064.db2.gz WUZSEGNJASXJQL-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM CCC[C@H](NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1nn[n-]n1 ZINC000268181708 442887881 /nfs/dbraw/zinc/88/78/81/442887881.db2.gz LLRNKSXXOGUYGG-VIFPVBQESA-N -1 1 329.320 1.860 20 5 EDBDMM COC(=O)[C@@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269255340 443253252 /nfs/dbraw/zinc/25/32/52/443253252.db2.gz ABEQVPTZWXTEAS-ZETCQYMHSA-N -1 1 336.753 1.336 20 5 EDBDMM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416519275 319438313 /nfs/dbraw/zinc/43/83/13/319438313.db2.gz MCIQOYQWVQSHJI-UHFFFAOYSA-N -1 1 349.796 1.441 20 5 EDBDMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000283211766 443561894 /nfs/dbraw/zinc/56/18/94/443561894.db2.gz AFGZQEZJCIBYDS-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM CC(C)(C)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000298362252 443753903 /nfs/dbraw/zinc/75/39/03/443753903.db2.gz LCEBEGBDQDAMFJ-UHFFFAOYSA-N -1 1 336.348 1.026 20 5 EDBDMM CC[C@](C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000299592401 444089919 /nfs/dbraw/zinc/08/99/19/444089919.db2.gz FROCHBBRGWCATQ-LBPRGKRZSA-N -1 1 334.325 1.354 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2(CO)CCCCC2)s1 ZINC000611025725 450412930 /nfs/dbraw/zinc/41/29/30/450412930.db2.gz HWQLAQARQKEWLY-UHFFFAOYSA-N -1 1 334.419 1.877 20 5 EDBDMM CC[C@@H](C)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000579246066 321908056 /nfs/dbraw/zinc/90/80/56/321908056.db2.gz GZAKAMAWVLAGDD-SCZZXKLOSA-N -1 1 325.321 1.403 20 5 EDBDMM CO[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1 ZINC000580785664 322095975 /nfs/dbraw/zinc/09/59/75/322095975.db2.gz JJSHROJOFCARJG-JOYOIKCWSA-N -1 1 348.315 1.175 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C/C=C\c2ccccc2)c([N+](=O)[O-])n1 ZINC000339042231 445003742 /nfs/dbraw/zinc/00/37/42/445003742.db2.gz RXGMKCNCWXLNBB-TWGQIWQCSA-N -1 1 336.373 1.803 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000339048417 445008927 /nfs/dbraw/zinc/00/89/27/445008927.db2.gz MZSCPOOIBNATCH-UHFFFAOYSA-N -1 1 330.410 1.916 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000330614770 445063166 /nfs/dbraw/zinc/06/31/66/445063166.db2.gz BLSQJZPUORHBGA-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM CCOC(=O)c1cnc(NC(=O)CCn2cc([N+](=O)[O-])nc2C)[n-]1 ZINC000339170523 445071631 /nfs/dbraw/zinc/07/16/31/445071631.db2.gz XRADBWTZSBDQPR-UHFFFAOYSA-N -1 1 336.308 1.028 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)CCn2cc([N+](=O)[O-])nc2C)n1 ZINC000339170523 445071636 /nfs/dbraw/zinc/07/16/36/445071636.db2.gz XRADBWTZSBDQPR-UHFFFAOYSA-N -1 1 336.308 1.028 20 5 EDBDMM O=C(NCCOc1cncc(Cl)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351670512 445265396 /nfs/dbraw/zinc/26/53/96/445265396.db2.gz DKRUSWOJDOVHIU-UHFFFAOYSA-N -1 1 338.707 1.553 20 5 EDBDMM CC(C)(NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000354759947 445371597 /nfs/dbraw/zinc/37/15/97/445371597.db2.gz ODLOBSKEPTXHMC-UHFFFAOYSA-N -1 1 343.303 1.027 20 5 EDBDMM Cn1c2cc([O-])c(NC(=O)c3ccccc3[N+](=O)[O-])cc2n(C)c1=O ZINC000359818703 445444076 /nfs/dbraw/zinc/44/40/76/445444076.db2.gz GOGZLJYRTBWLFN-UHFFFAOYSA-N -1 1 342.311 1.743 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)o1 ZINC000357232814 445496162 /nfs/dbraw/zinc/49/61/62/445496162.db2.gz JJCQLRRMNUEBKZ-UHFFFAOYSA-N -1 1 326.334 1.327 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ncnn1C ZINC000353857920 445786811 /nfs/dbraw/zinc/78/68/11/445786811.db2.gz WDFMOANHPHMDRB-SSDOTTSWSA-N -1 1 345.768 1.416 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)NCc1ccccc1 ZINC000351510873 446114799 /nfs/dbraw/zinc/11/47/99/446114799.db2.gz SJBTXBJHMJQHIV-SNVBAGLBSA-N -1 1 344.327 1.130 20 5 EDBDMM O=C(Nc1ccncc1[O-])c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000359567263 446295408 /nfs/dbraw/zinc/29/54/08/446295408.db2.gz WSFYEDILLFRLBC-UHFFFAOYSA-N -1 1 325.227 1.971 20 5 EDBDMM CCc1nc([C@H]2CN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])CCO2)n[nH]1 ZINC000375787698 447047984 /nfs/dbraw/zinc/04/79/84/447047984.db2.gz PGAGOBTWRYGUKO-GFCCVEGCSA-N -1 1 347.331 1.195 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])n1 ZINC000451822746 447756746 /nfs/dbraw/zinc/75/67/46/447756746.db2.gz KXWNFWVXPJQZSG-QMMMGPOBSA-N -1 1 338.336 1.525 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000591302658 448313744 /nfs/dbraw/zinc/31/37/44/448313744.db2.gz NXLCOFXSJKSZKY-UHFFFAOYSA-N -1 1 347.331 1.570 20 5 EDBDMM CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000518667069 448697447 /nfs/dbraw/zinc/69/74/47/448697447.db2.gz QBWRWQLRLXKXGY-UHFFFAOYSA-N -1 1 349.796 1.393 20 5 EDBDMM COc1cc(CN(C)CC(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000568874484 448932756 /nfs/dbraw/zinc/93/27/56/448932756.db2.gz SAAHXHNAHSGMIT-UHFFFAOYSA-N -1 1 334.275 1.764 20 5 EDBDMM CCOC(=O)c1cc(C(=O)Nc2c(C)[n-][nH]c2=O)cc([N+](=O)[O-])c1 ZINC000590398382 449146606 /nfs/dbraw/zinc/14/66/06/449146606.db2.gz NOPKNKUOTBKCCD-UHFFFAOYSA-N -1 1 334.288 1.761 20 5 EDBDMM COC(=O)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000598003867 449189389 /nfs/dbraw/zinc/18/93/89/449189389.db2.gz KMHFLAGSXNRNII-UHFFFAOYSA-N -1 1 337.332 1.643 20 5 EDBDMM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000593834611 449223237 /nfs/dbraw/zinc/22/32/37/449223237.db2.gz JJMDZYASBLDXDW-OCCSQVGLSA-N -1 1 344.327 1.741 20 5 EDBDMM CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598474462 449412935 /nfs/dbraw/zinc/41/29/35/449412935.db2.gz RAQJAZSZTUJCQW-ABAIWWIYSA-N -1 1 337.332 1.547 20 5 EDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600704084 449504680 /nfs/dbraw/zinc/50/46/80/449504680.db2.gz SDXRPHHQGBZNOW-UHIISALHSA-N -1 1 335.360 1.964 20 5 EDBDMM CC(C)(C)c1nnc2n1CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598780029 449598736 /nfs/dbraw/zinc/59/87/36/449598736.db2.gz NVUJSNPXOFUBPN-UHFFFAOYSA-N -1 1 346.347 1.240 20 5 EDBDMM Cc1cc(C)c(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1 ZINC000599225132 449813323 /nfs/dbraw/zinc/81/33/23/449813323.db2.gz QSYGSNVVBCMEJI-UHFFFAOYSA-N -1 1 338.389 1.732 20 5 EDBDMM Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CO2 ZINC000599375119 449928501 /nfs/dbraw/zinc/92/85/01/449928501.db2.gz LAYAJJZVMUTPIT-NSHDSACASA-N -1 1 349.368 1.580 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000618355659 450172125 /nfs/dbraw/zinc/17/21/25/450172125.db2.gz JDVDFCKWAYFPNC-ZETCQYMHSA-N -1 1 343.299 1.768 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000619871647 450347938 /nfs/dbraw/zinc/34/79/38/450347938.db2.gz RGVRDFMNYRKQNA-CQSZACIVSA-N -1 1 349.387 1.627 20 5 EDBDMM CC[C@H](C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000262516255 535980703 /nfs/dbraw/zinc/98/07/03/535980703.db2.gz NMOGFVVFZQBFFU-XVKPBYJWSA-N -1 1 334.325 1.512 20 5 EDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738258155 579178621 /nfs/dbraw/zinc/17/86/21/579178621.db2.gz GBECUKJFKSMRMD-UHFFFAOYSA-N -1 1 337.299 1.373 20 5 EDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000738258155 579178623 /nfs/dbraw/zinc/17/86/23/579178623.db2.gz GBECUKJFKSMRMD-UHFFFAOYSA-N -1 1 337.299 1.373 20 5 EDBDMM COCC[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC1 ZINC000770472434 580261668 /nfs/dbraw/zinc/26/16/68/580261668.db2.gz VBALWANLAGVMFI-ZDUSSCGKSA-N -1 1 348.352 1.208 20 5 EDBDMM CC(C)(C)OC(=O)N1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000776680172 580426179 /nfs/dbraw/zinc/42/61/79/580426179.db2.gz WAGUGNVFEKIYOH-UHFFFAOYSA-N -1 1 338.320 1.693 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)C(F)(F)c3ccc([N+](=O)[O-])cc3)ccnc1-2 ZINC000801702930 581082871 /nfs/dbraw/zinc/08/28/71/581082871.db2.gz YBBZLVQAJSFRHF-UHFFFAOYSA-N -1 1 347.281 1.981 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CCOC1 ZINC000784452213 593138796 /nfs/dbraw/zinc/13/87/96/593138796.db2.gz STGCHTORGZHPAK-VIFPVBQESA-N -1 1 334.781 1.953 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(C(=O)OCc2nc(=O)n(C)[n-]2)cc1Cl ZINC000838345630 593156428 /nfs/dbraw/zinc/15/64/28/593156428.db2.gz NZCRWFPOSRCXRM-UHFFFAOYSA-N -1 1 326.696 1.335 20 5 EDBDMM O=C1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000841562650 593191953 /nfs/dbraw/zinc/19/19/53/593191953.db2.gz GCHXRIPURZUOKV-SECBINFHSA-N -1 1 347.780 1.195 20 5 EDBDMM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000757640741 593384565 /nfs/dbraw/zinc/38/45/65/593384565.db2.gz SXMBUTLHNSNSQB-QMMMGPOBSA-N -1 1 340.336 1.338 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000824453851 594015957 /nfs/dbraw/zinc/01/59/57/594015957.db2.gz YTGKYLQSKKAEIJ-QMMMGPOBSA-N -1 1 325.325 1.314 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCN(C(=O)[O-])CC2(C)C)c1[N+](=O)[O-] ZINC000824453707 594016008 /nfs/dbraw/zinc/01/60/08/594016008.db2.gz SXESWBADUCYTMQ-UHFFFAOYSA-N -1 1 339.352 1.656 20 5 EDBDMM Cc1nn(C)c(C)c1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822491523 594056642 /nfs/dbraw/zinc/05/66/42/594056642.db2.gz CDUFGMLYPBWAGG-UHFFFAOYSA-N -1 1 343.351 1.175 20 5 EDBDMM Cc1nn(C)c(C)c1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822491523 594056644 /nfs/dbraw/zinc/05/66/44/594056644.db2.gz CDUFGMLYPBWAGG-UHFFFAOYSA-N -1 1 343.351 1.175 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC[C@H]1CCCC[C@H]1O ZINC000823624548 594222570 /nfs/dbraw/zinc/22/25/70/594222570.db2.gz CIDSFOREXKBGJI-ZYHUDNBSSA-N -1 1 347.379 1.913 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC[C@H]1CCCC[C@H]1O ZINC000823624548 594222571 /nfs/dbraw/zinc/22/25/71/594222571.db2.gz CIDSFOREXKBGJI-ZYHUDNBSSA-N -1 1 347.379 1.913 20 5 EDBDMM Cc1cc(NC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1[N+](=O)[O-] ZINC000826271003 594405594 /nfs/dbraw/zinc/40/55/94/594405594.db2.gz XUNRAFMWNHWIET-UHFFFAOYSA-N -1 1 325.288 1.731 20 5 EDBDMM Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1[N+](=O)[O-] ZINC000826271003 594405595 /nfs/dbraw/zinc/40/55/95/594405595.db2.gz XUNRAFMWNHWIET-UHFFFAOYSA-N -1 1 325.288 1.731 20 5 EDBDMM CCN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000832257319 594738515 /nfs/dbraw/zinc/73/85/15/594738515.db2.gz GYVIZBKUBZXBEJ-VIFPVBQESA-N -1 1 347.780 1.147 20 5 EDBDMM Cc1c(NC(=O)[C@H](C)N2C[C@H](C)[C@@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857502 594781374 /nfs/dbraw/zinc/78/13/74/594781374.db2.gz QJSOKOQGEVLNER-DLOVCJGASA-N -1 1 335.360 1.883 20 5 EDBDMM O=C([O-])c1cc(C(=O)N[C@@H]2CCCc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000833295975 594822103 /nfs/dbraw/zinc/82/21/03/594822103.db2.gz IFOFNQCPNILUCL-GFCCVEGCSA-N -1 1 330.300 1.824 20 5 EDBDMM O=C([O-])c1occc1CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000833346596 594831513 /nfs/dbraw/zinc/83/15/13/594831513.db2.gz SMINBQPOIDRIHI-LLVKDONJSA-N -1 1 332.316 1.967 20 5 EDBDMM C[C@H](NC(=O)[O-])[C@H]1CN(Cc2cc(O)ccc2[N+](=O)[O-])CCO1 ZINC000833820943 594939306 /nfs/dbraw/zinc/93/93/06/594939306.db2.gz WAVPIIFTOHLUMW-TVQRCGJNSA-N -1 1 325.321 1.157 20 5 EDBDMM Cn1cc(CN2CC[C@@H](NC(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833949287 594971970 /nfs/dbraw/zinc/97/19/70/594971970.db2.gz PYWJJPWPYVHLRU-CYBMUJFWSA-N -1 1 345.359 1.837 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1(CO)CC1 ZINC000849433162 595525419 /nfs/dbraw/zinc/52/54/19/595525419.db2.gz FYIARBBHECSVCS-MRVPVSSYSA-N -1 1 334.781 1.688 20 5 EDBDMM CCn1ncc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000859251636 596017673 /nfs/dbraw/zinc/01/76/73/596017673.db2.gz HOMBJRJHCGBAKX-UHFFFAOYSA-N -1 1 339.377 1.302 20 5 EDBDMM COC(=O)C1=CC[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000859287040 596033723 /nfs/dbraw/zinc/03/37/23/596033723.db2.gz JULYVEQMJNHMHZ-MRVPVSSYSA-N -1 1 332.359 1.196 20 5 EDBDMM CCOC(=O)C1=CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000859320203 596050013 /nfs/dbraw/zinc/05/00/13/596050013.db2.gz XYNONVXAIKVFNZ-VIFPVBQESA-N -1 1 346.386 1.587 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CO[C@@H](C2CC2)C1 ZINC000859367739 596069200 /nfs/dbraw/zinc/06/92/00/596069200.db2.gz LQMAHRQFZLLQCP-GXSJLCMTSA-N -1 1 330.337 1.580 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@](O)(c2ccccc2)C1 ZINC000863938911 596720893 /nfs/dbraw/zinc/72/08/93/596720893.db2.gz RQNANYVWZDNLNJ-QGZVFWFLSA-N -1 1 343.339 1.819 20 5 EDBDMM Cc1ccn(C)c(=O)c1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000126363091 597445662 /nfs/dbraw/zinc/44/56/62/597445662.db2.gz GJUWRIVPLZKRMI-UHFFFAOYSA-N -1 1 341.320 1.542 20 5 EDBDMM C[C@@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000921498251 700158938 /nfs/dbraw/zinc/15/89/38/700158938.db2.gz CBIMLCIFLOUPCF-MUWHJKNJSA-N -1 1 338.744 1.701 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C[C@@H](C)O ZINC000187363841 529381164 /nfs/dbraw/zinc/38/11/64/529381164.db2.gz RLBKQWIXIIBHJO-VXGBXAGGSA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[S@@](C)=O ZINC000124192671 138324606 /nfs/dbraw/zinc/32/46/06/138324606.db2.gz SJWHKXRRLLYWEF-MDTSDYNXSA-N -1 1 326.421 1.092 20 5 EDBDMM Cn1ncc2c1[n-]cc(C(=O)NCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000132595657 138379453 /nfs/dbraw/zinc/37/94/53/138379453.db2.gz FOYYPLKKVGGLTL-UHFFFAOYSA-N -1 1 327.300 1.512 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2c3ccccc3C[C@@H]2O)s1 ZINC000151975423 204178965 /nfs/dbraw/zinc/17/89/65/204178965.db2.gz VJEGIEWWJKBBDU-GWCFXTLKSA-N -1 1 340.382 1.593 20 5 EDBDMM O=C(N[C@H]1C[C@]12CCOc1ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000371790154 284263345 /nfs/dbraw/zinc/26/33/45/284263345.db2.gz LGAOMEUOUCOQEO-YOEHRIQHSA-N -1 1 341.323 1.918 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000425297731 252304444 /nfs/dbraw/zinc/30/44/44/252304444.db2.gz IMCMWNOLIMWQIR-VIFPVBQESA-N -1 1 348.315 1.712 20 5 EDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263371342 139338427 /nfs/dbraw/zinc/33/84/27/139338427.db2.gz VLTVMMOWIINKEX-GRYCIOLGSA-N -1 1 335.360 1.964 20 5 EDBDMM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000263389732 139339481 /nfs/dbraw/zinc/33/94/81/139339481.db2.gz YNMOTKUEVHFRPL-IUCAKERBSA-N -1 1 332.316 1.654 20 5 EDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])NC1(c2nn[n-]n2)CCCC1 ZINC000491859601 255152946 /nfs/dbraw/zinc/15/29/46/255152946.db2.gz OCPFGXLUFRPGAZ-BQYQJAHWSA-N -1 1 328.332 1.707 20 5 EDBDMM COCCn1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cn1 ZINC000270578465 140127420 /nfs/dbraw/zinc/12/74/20/140127420.db2.gz AMKVQKGCBPOYML-UHFFFAOYSA-N -1 1 344.324 1.378 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000330759411 140920945 /nfs/dbraw/zinc/92/09/45/140920945.db2.gz KGJDRQNWUZYJBS-SNVBAGLBSA-N -1 1 332.382 1.049 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(=O)N(Cc2ccccc2)C1 ZINC000345318179 143077246 /nfs/dbraw/zinc/07/72/46/143077246.db2.gz OEBPGXSRRKPPKA-UHFFFAOYSA-N -1 1 342.311 1.138 20 5 EDBDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)c1 ZINC000352904930 149210805 /nfs/dbraw/zinc/21/08/05/149210805.db2.gz ZZLBOCVZIQRHFA-UHFFFAOYSA-N -1 1 346.328 1.371 20 5 EDBDMM Cc1nc([C@@](C)(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000353351781 149376452 /nfs/dbraw/zinc/37/64/52/149376452.db2.gz OHWZILDETZRBJK-AWEZNQCLSA-N -1 1 333.304 1.442 20 5 EDBDMM CC(C)OC(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000274135109 273071452 /nfs/dbraw/zinc/07/14/52/273071452.db2.gz AXWBAXRKLJUNLG-UHFFFAOYSA-N -1 1 348.352 1.744 20 5 EDBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000284537405 274237576 /nfs/dbraw/zinc/23/75/76/274237576.db2.gz DGDBSOKEEKLAFJ-UHFFFAOYSA-N -1 1 326.334 1.500 20 5 EDBDMM CC(=O)c1ccc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000285586116 274587684 /nfs/dbraw/zinc/58/76/84/274587684.db2.gz KUSKARZSPFRJJF-UHFFFAOYSA-N -1 1 332.316 1.858 20 5 EDBDMM CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000294583479 303126947 /nfs/dbraw/zinc/12/69/47/303126947.db2.gz FOMUZHOTWZRUHN-GFCCVEGCSA-N -1 1 348.359 1.072 20 5 EDBDMM NC(=O)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152159810 303327823 /nfs/dbraw/zinc/32/78/23/303327823.db2.gz MJMYQOVBQAMZDF-WPRPVWTQSA-N -1 1 345.352 1.056 20 5 EDBDMM O=C(N[C@H]1CCc2ccccc2C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000446603357 305267781 /nfs/dbraw/zinc/26/77/81/305267781.db2.gz XIOCANOPHDYOIB-LBPRGKRZSA-N -1 1 327.296 1.623 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cc2ccccc2[nH]1 ZINC000533228056 305997067 /nfs/dbraw/zinc/99/70/67/305997067.db2.gz JEIUGWRLDQYNGX-UHFFFAOYSA-N -1 1 346.368 1.992 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccsc2)c([N+](=O)[O-])n1 ZINC000533635144 306001856 /nfs/dbraw/zinc/00/18/56/306001856.db2.gz LWIHGRCAWQCCED-VIFPVBQESA-N -1 1 344.418 1.782 20 5 EDBDMM CCC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000136661098 441712402 /nfs/dbraw/zinc/71/24/02/441712402.db2.gz MCUCQOUXOACPKN-NSHDSACASA-N -1 1 338.755 1.961 20 5 EDBDMM COc1ccc(OC)c([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000138244056 441787190 /nfs/dbraw/zinc/78/71/90/441787190.db2.gz FSFODYPFJXMLSI-SECBINFHSA-N -1 1 347.327 1.791 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1[nH]nc(C)c1C ZINC000160496032 441889945 /nfs/dbraw/zinc/88/99/45/441889945.db2.gz NNEOTDWSRZXGOT-UHFFFAOYSA-N -1 1 326.334 1.744 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)c2ccccc2)s1 ZINC000125458408 442022439 /nfs/dbraw/zinc/02/24/39/442022439.db2.gz HRAKXYPSMVPMLK-NSHDSACASA-N -1 1 342.398 1.711 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2ccccc2)s1 ZINC000125458614 442022633 /nfs/dbraw/zinc/02/26/33/442022633.db2.gz HRAKXYPSMVPMLK-LLVKDONJSA-N -1 1 342.398 1.711 20 5 EDBDMM Cc1c(Br)cc(C(=O)Nc2nnn[n-]2)cc1[N+](=O)[O-] ZINC000129621090 442325205 /nfs/dbraw/zinc/32/52/05/442325205.db2.gz UOOZEUXKBMGQKG-UHFFFAOYSA-N -1 1 327.098 1.431 20 5 EDBDMM Cc1c(Br)cc(C(=O)Nc2nn[n-]n2)cc1[N+](=O)[O-] ZINC000129621090 442325206 /nfs/dbraw/zinc/32/52/06/442325206.db2.gz UOOZEUXKBMGQKG-UHFFFAOYSA-N -1 1 327.098 1.431 20 5 EDBDMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000186956117 442636102 /nfs/dbraw/zinc/63/61/02/442636102.db2.gz XTOCCTRTQMYJLA-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193687891 442767541 /nfs/dbraw/zinc/76/75/41/442767541.db2.gz UDIZRSKHMVARFP-JTQLQIEISA-N -1 1 346.347 1.675 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000183051028 442870973 /nfs/dbraw/zinc/87/09/73/442870973.db2.gz ZQHNPLQJDDCLCE-GFCCVEGCSA-N -1 1 335.360 1.095 20 5 EDBDMM Cc1ccc2c(c1)nc(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)n2C ZINC000184074613 442988692 /nfs/dbraw/zinc/98/86/92/442988692.db2.gz UQBAJEZPKBNTAS-UHFFFAOYSA-N -1 1 341.327 1.821 20 5 EDBDMM Cn1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nnc1C1CCC1 ZINC000189921168 443028953 /nfs/dbraw/zinc/02/89/53/443028953.db2.gz BOIUMWSWHJUFKX-UHFFFAOYSA-N -1 1 332.320 1.021 20 5 EDBDMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000185271450 443173475 /nfs/dbraw/zinc/17/34/75/443173475.db2.gz JTBCJBDWJOMPBJ-VMZHVLLKSA-N -1 1 334.781 1.854 20 5 EDBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000416237573 319404543 /nfs/dbraw/zinc/40/45/43/319404543.db2.gz FCKBHEUZGOOLPG-UHFFFAOYSA-N -1 1 348.315 1.470 20 5 EDBDMM O=C(N[C@@H]1CCOC2(CCOCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000427604868 319899935 /nfs/dbraw/zinc/89/99/35/319899935.db2.gz SYEGKUAJMDRCEX-SNVBAGLBSA-N -1 1 337.332 1.153 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286101050 443646073 /nfs/dbraw/zinc/64/60/73/443646073.db2.gz FIERDPHEHXROOB-BDAKNGLRSA-N -1 1 349.265 1.328 20 5 EDBDMM CC[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000291835703 443769757 /nfs/dbraw/zinc/76/97/57/443769757.db2.gz GJYBUTKVVBCGJG-LURJTMIESA-N -1 1 343.188 1.951 20 5 EDBDMM CCOC(=O)c1cc(C(=O)[N-]N2CCCCC2=O)cc([N+](=O)[O-])c1 ZINC000299551992 444076985 /nfs/dbraw/zinc/07/69/85/444076985.db2.gz CFZAYDUUNSHYOH-UHFFFAOYSA-N -1 1 335.316 1.429 20 5 EDBDMM CC[C@@H](O)CN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000563623922 321112343 /nfs/dbraw/zinc/11/23/43/321112343.db2.gz JKKNTHYBGMHTSR-CYBMUJFWSA-N -1 1 337.376 1.494 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCCO2)c([N+](=O)[O-])n1 ZINC000339046523 445006682 /nfs/dbraw/zinc/00/66/82/445006682.db2.gz WTUMBBIZENOMGI-ZJUUUORDSA-N -1 1 332.382 1.047 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2noc(C3CC3)n2)s1 ZINC000343097294 445063369 /nfs/dbraw/zinc/06/33/69/445063369.db2.gz OMQTZZQSZNKQIQ-UHFFFAOYSA-N -1 1 330.347 1.395 20 5 EDBDMM CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[C@@H]2C1 ZINC000356615269 445887857 /nfs/dbraw/zinc/88/78/57/445887857.db2.gz IMWYDRNOOICDBK-GDLCADMTSA-N -1 1 348.359 1.072 20 5 EDBDMM Cn1cc(C[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cn1 ZINC000365724319 446315987 /nfs/dbraw/zinc/31/59/87/446315987.db2.gz RCQJLGSQFLTXGI-JTQLQIEISA-N -1 1 331.332 1.134 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000365780247 446341184 /nfs/dbraw/zinc/34/11/84/446341184.db2.gz JLVLOMQWXLCCLE-RYUDHWBXSA-N -1 1 335.360 1.974 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCOc2ccccc2)c([N+](=O)[O-])n1 ZINC000435799016 446712708 /nfs/dbraw/zinc/71/27/08/446712708.db2.gz LBSGIDAIVVYHLG-UHFFFAOYSA-N -1 1 340.361 1.169 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2cscn2)CC1 ZINC000445174763 447177524 /nfs/dbraw/zinc/17/75/24/447177524.db2.gz AZGPKSKTPCACBW-UHFFFAOYSA-N -1 1 349.372 1.110 20 5 EDBDMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000569778091 447885998 /nfs/dbraw/zinc/88/59/98/447885998.db2.gz HJAAFSYHVDOWIO-MRVPVSSYSA-N -1 1 334.254 1.062 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])on1 ZINC000189892018 533713578 /nfs/dbraw/zinc/71/35/78/533713578.db2.gz SDLMGGUYWCMRRB-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1 ZINC000586797631 448813563 /nfs/dbraw/zinc/81/35/63/448813563.db2.gz AYRHZJVZRBWDHM-UHFFFAOYSA-N -1 1 344.327 1.759 20 5 EDBDMM C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1C(=O)[O-] ZINC000592424098 448829850 /nfs/dbraw/zinc/82/98/50/448829850.db2.gz SWZVXDLLRXFCBD-ZYHUDNBSSA-N -1 1 336.344 1.909 20 5 EDBDMM C[C@]1(C(=O)[O-])CCCN1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593746172 449176184 /nfs/dbraw/zinc/17/61/84/449176184.db2.gz FZEWPPGZEWBCFK-CQSZACIVSA-N -1 1 342.373 1.308 20 5 EDBDMM CC(C)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000593745348 449176698 /nfs/dbraw/zinc/17/66/98/449176698.db2.gz OVFZLCXXAYKAHM-UHFFFAOYSA-N -1 1 330.362 1.164 20 5 EDBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccncc1 ZINC000611257430 449239960 /nfs/dbraw/zinc/23/99/60/449239960.db2.gz DOOOUTLTUSRIBU-UHFFFAOYSA-N -1 1 336.373 1.641 20 5 EDBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCOCC1 ZINC000597161219 449844675 /nfs/dbraw/zinc/84/46/75/449844675.db2.gz JUEBFICRDDYGOV-GFCCVEGCSA-N -1 1 348.315 1.081 20 5 EDBDMM Cc1ccccc1C(C)(C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599314200 449885259 /nfs/dbraw/zinc/88/52/59/449885259.db2.gz YHLXPVCVCUGWPS-UHFFFAOYSA-N -1 1 338.389 1.850 20 5 EDBDMM CCOc1cccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000610765966 450328686 /nfs/dbraw/zinc/32/86/86/450328686.db2.gz KOPDROHXUNGNPQ-UHFFFAOYSA-N -1 1 332.316 1.462 20 5 EDBDMM O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868231 450347006 /nfs/dbraw/zinc/34/70/06/450347006.db2.gz CHKJVHROVHCUBW-JTQLQIEISA-N -1 1 347.331 1.502 20 5 EDBDMM Nc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000619872430 450349144 /nfs/dbraw/zinc/34/91/44/450349144.db2.gz IGUPJVJNAYCMLD-UHFFFAOYSA-N -1 1 333.304 1.285 20 5 EDBDMM O=C([O-])NC[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000740613632 579368844 /nfs/dbraw/zinc/36/88/44/579368844.db2.gz NUQGVPRIBWYZSC-CYBMUJFWSA-N -1 1 337.332 1.597 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737114100 579048676 /nfs/dbraw/zinc/04/86/76/579048676.db2.gz DFPOFKZWPDDFCU-UHFFFAOYSA-N -1 1 341.287 1.431 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737114100 579048677 /nfs/dbraw/zinc/04/86/77/579048677.db2.gz DFPOFKZWPDDFCU-UHFFFAOYSA-N -1 1 341.287 1.431 20 5 EDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738259246 579178846 /nfs/dbraw/zinc/17/88/46/579178846.db2.gz PCSKPENVWWWACY-UHFFFAOYSA-N -1 1 337.299 1.373 20 5 EDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000738259246 579178848 /nfs/dbraw/zinc/17/88/48/579178848.db2.gz PCSKPENVWWWACY-UHFFFAOYSA-N -1 1 337.299 1.373 20 5 EDBDMM O=C([O-])[C@@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000739582892 579221333 /nfs/dbraw/zinc/22/13/33/579221333.db2.gz OEGGPHKAMLQGFQ-GFCCVEGCSA-N -1 1 331.332 1.607 20 5 EDBDMM C[C@@](O)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000751374306 579803517 /nfs/dbraw/zinc/80/35/17/579803517.db2.gz XHWLRPKRLXAOMI-CQSZACIVSA-N -1 1 337.357 1.176 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000763235888 580095978 /nfs/dbraw/zinc/09/59/78/580095978.db2.gz STUCZKITRXYBKJ-QMMMGPOBSA-N -1 1 336.739 1.781 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c([N+](=O)[O-])cnn2C)c1 ZINC000766966853 580178463 /nfs/dbraw/zinc/17/84/63/580178463.db2.gz QFYVLCDEWVVIPR-UHFFFAOYSA-N -1 1 333.300 1.636 20 5 EDBDMM Cn1c(Cl)cnc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768833693 580221723 /nfs/dbraw/zinc/22/17/23/580221723.db2.gz IABYIVOMTGQVLN-UHFFFAOYSA-N -1 1 336.782 1.522 20 5 EDBDMM C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000769047424 580226329 /nfs/dbraw/zinc/22/63/29/580226329.db2.gz JIJZSTGVIKFXST-GHMZBOCLSA-N -1 1 336.344 1.962 20 5 EDBDMM CCNC(=O)c1ccc(OC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776656181 580425495 /nfs/dbraw/zinc/42/54/95/580425495.db2.gz OWZUIHKSDDFTAP-UHFFFAOYSA-N -1 1 331.284 1.664 20 5 EDBDMM C[C@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccco1 ZINC000820468075 593820838 /nfs/dbraw/zinc/82/08/38/593820838.db2.gz QILOYDPNFQAPBA-ZDUSSCGKSA-N -1 1 331.292 1.083 20 5 EDBDMM C[C@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccco1 ZINC000820468075 593820839 /nfs/dbraw/zinc/82/08/39/593820839.db2.gz QILOYDPNFQAPBA-ZDUSSCGKSA-N -1 1 331.292 1.083 20 5 EDBDMM CO[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821678552 593909121 /nfs/dbraw/zinc/90/91/21/593909121.db2.gz PATYKNXFXGWBCP-LBPRGKRZSA-N -1 1 341.331 1.970 20 5 EDBDMM CO[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821678552 593909122 /nfs/dbraw/zinc/90/91/22/593909122.db2.gz PATYKNXFXGWBCP-LBPRGKRZSA-N -1 1 341.331 1.970 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(CO)CCCCC1 ZINC000823620018 594221943 /nfs/dbraw/zinc/22/19/43/594221943.db2.gz GMWYCWVGKPLJHV-UHFFFAOYSA-N -1 1 333.352 1.525 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(CO)CCCCC1 ZINC000823620018 594221944 /nfs/dbraw/zinc/22/19/44/594221944.db2.gz GMWYCWVGKPLJHV-UHFFFAOYSA-N -1 1 333.352 1.525 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SC[C@H](O)c1ccccc1 ZINC000823630488 594223232 /nfs/dbraw/zinc/22/32/32/594223232.db2.gz YDZIOMQEFHOQSI-NSHDSACASA-N -1 1 344.356 1.996 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SC[C@H](O)c1ccccc1 ZINC000823630488 594223233 /nfs/dbraw/zinc/22/32/33/594223233.db2.gz YDZIOMQEFHOQSI-NSHDSACASA-N -1 1 344.356 1.996 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2nccnc2-c2nnn[n-]2)c1 ZINC000823639869 594223876 /nfs/dbraw/zinc/22/38/76/594223876.db2.gz JVSOQYAFQJYTNF-UHFFFAOYSA-N -1 1 332.711 1.830 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(CNc2nccnc2-c2nn[n-]n2)c1 ZINC000823639869 594223877 /nfs/dbraw/zinc/22/38/77/594223877.db2.gz JVSOQYAFQJYTNF-UHFFFAOYSA-N -1 1 332.711 1.830 20 5 EDBDMM Cc1cc(COC(=O)c2ccc(-c3nnn[n-]3)nc2)ccc1[N+](=O)[O-] ZINC000826267443 594404173 /nfs/dbraw/zinc/40/41/73/594404173.db2.gz GJSGPMYLFXOCQA-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1cc(COC(=O)c2ccc(-c3nn[n-]n3)nc2)ccc1[N+](=O)[O-] ZINC000826267443 594404174 /nfs/dbraw/zinc/40/41/74/594404174.db2.gz GJSGPMYLFXOCQA-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000828433366 594418921 /nfs/dbraw/zinc/41/89/21/594418921.db2.gz UCUPCRIKMNBFPM-MFKMUULPSA-N -1 1 333.344 1.136 20 5 EDBDMM C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C(=O)[O-] ZINC000828466014 594428284 /nfs/dbraw/zinc/42/82/84/594428284.db2.gz ZZZAVXLPGJACFL-BXKDBHETSA-N -1 1 332.316 1.797 20 5 EDBDMM O=C(OCc1ccnc(-c2nn[nH]n2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000826467305 594487443 /nfs/dbraw/zinc/48/74/43/594487443.db2.gz QDMQYZQJIOOILI-UHFFFAOYSA-N -1 1 342.271 1.233 20 5 EDBDMM COC[C@](C)(CC(=O)[O-])NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000831578420 594684881 /nfs/dbraw/zinc/68/48/81/594684881.db2.gz NPXCTSLYSAIYRY-HNNXBMFYSA-N -1 1 339.348 1.311 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC[C@H]2C)cc1F ZINC000867263056 594914868 /nfs/dbraw/zinc/91/48/68/594914868.db2.gz DKFORYYXZYDZTL-GHMZBOCLSA-N -1 1 346.380 1.993 20 5 EDBDMM O=C([O-])N1CC[C@@H](N(C[C@H](O)c2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000834081042 595008353 /nfs/dbraw/zinc/00/83/53/595008353.db2.gz DBLYRVAEQGXJJG-CABCVRRESA-N -1 1 335.360 1.845 20 5 EDBDMM O=C([O-])NCCc1ccc(CNC(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000834244737 595067251 /nfs/dbraw/zinc/06/72/51/595067251.db2.gz GOVNUNONNIDYMX-UHFFFAOYSA-N -1 1 333.304 1.058 20 5 EDBDMM O=C([N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842342360 595080368 /nfs/dbraw/zinc/08/03/68/595080368.db2.gz JHLULQMPBZNUSR-GMSGAONNSA-N -1 1 336.728 1.090 20 5 EDBDMM CCC[C@@H](C)[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000845967851 595108477 /nfs/dbraw/zinc/10/84/77/595108477.db2.gz FARGPMKGNPZSJX-KOLCDFICSA-N -1 1 334.369 1.809 20 5 EDBDMM Cn1cnnc1C[N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848580044 595407875 /nfs/dbraw/zinc/40/78/75/595407875.db2.gz GWXKPWFRNHUCCF-UHFFFAOYSA-N -1 1 327.247 1.011 20 5 EDBDMM Cc1nnc(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000848949194 595472354 /nfs/dbraw/zinc/47/23/54/595472354.db2.gz KIDYRMZEXONMCN-UHFFFAOYSA-N -1 1 338.370 1.803 20 5 EDBDMM CC[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000849455981 595534638 /nfs/dbraw/zinc/53/46/38/595534638.db2.gz GPEVTVFXFKXTDU-ZCFIWIBFSA-N -1 1 343.188 1.951 20 5 EDBDMM CC[C@@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000849455977 595534762 /nfs/dbraw/zinc/53/47/62/595534762.db2.gz GJYBUTKVVBCGJG-ZCFIWIBFSA-N -1 1 343.188 1.951 20 5 EDBDMM O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342107 596043700 /nfs/dbraw/zinc/04/37/00/596043700.db2.gz HIPCGQVDHDBOAJ-LBPRGKRZSA-N -1 1 348.315 1.123 20 5 EDBDMM Cc1ccccc1[C@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000119486075 596602150 /nfs/dbraw/zinc/60/21/50/596602150.db2.gz GXDVNDVKDXUWMZ-LLVKDONJSA-N -1 1 342.398 1.977 20 5 EDBDMM CCC[C@H](CCO)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000123763387 596686928 /nfs/dbraw/zinc/68/69/28/596686928.db2.gz OTCFCLXPICQABX-SNVBAGLBSA-N -1 1 334.369 1.811 20 5 EDBDMM CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825522929 607448245 /nfs/dbraw/zinc/44/82/45/607448245.db2.gz LFHYAQZNVDMOBA-UHFFFAOYSA-N -1 1 347.335 1.053 20 5 EDBDMM CCOC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825522929 607448246 /nfs/dbraw/zinc/44/82/46/607448246.db2.gz LFHYAQZNVDMOBA-UHFFFAOYSA-N -1 1 347.335 1.053 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@]23CCC[C@H]2OCC3)s1 ZINC000921590483 703631280 /nfs/dbraw/zinc/63/12/80/703631280.db2.gz SMPVPJLBKPIAOG-BXKDBHETSA-N -1 1 332.403 1.894 20 5 EDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])o1 ZINC000053868224 214202781 /nfs/dbraw/zinc/20/27/81/214202781.db2.gz ABYHTKCPSGMERY-UHFFFAOYSA-N -1 1 339.329 1.026 20 5 EDBDMM COc1ccc([C@H](CO)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000412419160 304006303 /nfs/dbraw/zinc/00/63/03/304006303.db2.gz NFYNZCMWOHOJCX-NSHDSACASA-N -1 1 347.327 1.210 20 5 EDBDMM CC1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])OCCO1 ZINC000271066473 535156285 /nfs/dbraw/zinc/15/62/85/535156285.db2.gz JQTALVQZBBZQMS-UHFFFAOYSA-N -1 1 336.753 1.290 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)s1 ZINC000155839453 205042999 /nfs/dbraw/zinc/04/29/99/205042999.db2.gz IGUQMPANTLBMDK-FXAINCCUSA-N -1 1 344.414 1.892 20 5 EDBDMM NC(=O)c1ccnc([N-]c2cnn(CC(F)(F)F)c2)c1[N+](=O)[O-] ZINC000357502013 151049723 /nfs/dbraw/zinc/04/97/23/151049723.db2.gz KBPDZGWTFYHAHK-UHFFFAOYSA-N -1 1 330.226 1.591 20 5 EDBDMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000376897093 157848285 /nfs/dbraw/zinc/84/82/85/157848285.db2.gz QCFFEDHCLHFBMO-KGLIPLIRSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C(NCCOc1ccc(Cl)cn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352411210 162170450 /nfs/dbraw/zinc/17/04/50/162170450.db2.gz UZXCKBBZDHFFGS-UHFFFAOYSA-N -1 1 338.707 1.553 20 5 EDBDMM CC[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281281639 273456619 /nfs/dbraw/zinc/45/66/19/273456619.db2.gz XCWNDIGWYJCJSF-SSDOTTSWSA-N -1 1 340.760 1.827 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCCO)c1Cl ZINC000296139437 303298221 /nfs/dbraw/zinc/29/82/21/303298221.db2.gz JMVRGSUTFCVYJT-UHFFFAOYSA-N -1 1 343.188 1.952 20 5 EDBDMM CC(=O)N[C@H](C)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445211560 305257997 /nfs/dbraw/zinc/25/79/97/305257997.db2.gz KODHGZBKDXZVQL-SECBINFHSA-N -1 1 336.348 1.072 20 5 EDBDMM CCOCCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000532195577 305976561 /nfs/dbraw/zinc/97/65/61/305976561.db2.gz XGUXGJKLVKIRSU-UHFFFAOYSA-N -1 1 343.405 1.865 20 5 EDBDMM Cc1nc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)o1 ZINC000534304458 306005375 /nfs/dbraw/zinc/00/53/75/306005375.db2.gz VHIMPTZMNDSATO-UHFFFAOYSA-N -1 1 326.334 1.116 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](CO)C1CCCCC1 ZINC000549915861 306149710 /nfs/dbraw/zinc/14/97/10/306149710.db2.gz XUUUUOXIGAOJGA-LBPRGKRZSA-N -1 1 343.405 1.457 20 5 EDBDMM CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028972751 441442677 /nfs/dbraw/zinc/44/26/77/441442677.db2.gz HWLMOBCUMQBPKW-UHFFFAOYSA-N -1 1 327.300 1.432 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 ZINC000186741831 442604113 /nfs/dbraw/zinc/60/41/13/442604113.db2.gz TVYQYMUJLFFQRY-UHFFFAOYSA-N -1 1 342.355 1.653 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)s1 ZINC000183808556 442966851 /nfs/dbraw/zinc/96/68/51/442966851.db2.gz BLDGZQJVTANXTC-ZJUUUORDSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274883868 443614321 /nfs/dbraw/zinc/61/43/21/443614321.db2.gz JLBBGWATBLIELL-LLVKDONJSA-N -1 1 348.359 1.074 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000277719027 444030553 /nfs/dbraw/zinc/03/05/53/444030553.db2.gz XYLFLFHNOUQSKI-OIBJUYFYSA-N -1 1 349.265 1.471 20 5 EDBDMM CC(C)(O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290634084 444304027 /nfs/dbraw/zinc/30/40/27/444304027.db2.gz CWARGMPYNCELQA-UHFFFAOYSA-N -1 1 343.188 1.951 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC000339979504 444347228 /nfs/dbraw/zinc/34/72/28/444347228.db2.gz XFGGHRLAWNNPAL-UHFFFAOYSA-N -1 1 348.315 1.854 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2)c([N+](=O)[O-])n1 ZINC000343985263 444710451 /nfs/dbraw/zinc/71/04/51/444710451.db2.gz PYUDIPIKQNYBMX-VIFPVBQESA-N -1 1 334.423 1.375 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000330789775 445142367 /nfs/dbraw/zinc/14/23/67/445142367.db2.gz AGNIIMFTWRLMAV-DGCLKSJQSA-N -1 1 337.376 1.218 20 5 EDBDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1n1cccn1 ZINC000342075844 445158836 /nfs/dbraw/zinc/15/88/36/445158836.db2.gz XVVFHKNFGRGYFN-UHTWSYAYSA-N -1 1 347.331 1.040 20 5 EDBDMM CC(=O)N[C@H](C)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000361693696 445880811 /nfs/dbraw/zinc/88/08/11/445880811.db2.gz UXGBIVBOICEENA-SECBINFHSA-N -1 1 336.348 1.072 20 5 EDBDMM Cc1ccc(O[C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cn1 ZINC000373070831 446006194 /nfs/dbraw/zinc/00/61/94/446006194.db2.gz PMSMMWMPKHURCG-CYBMUJFWSA-N -1 1 344.327 1.692 20 5 EDBDMM Cc1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2=O)o1 ZINC000369366894 446107348 /nfs/dbraw/zinc/10/73/48/446107348.db2.gz SYXNKLBXKHQNEY-UHFFFAOYSA-N -1 1 346.299 1.086 20 5 EDBDMM CC(C)(NC(=O)c1ccc(OC(F)F)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000359442762 446224968 /nfs/dbraw/zinc/22/49/68/446224968.db2.gz TUYOWDDYHYPTQB-UHFFFAOYSA-N -1 1 342.262 1.374 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnc2n1CCCCC2 ZINC000370490736 446302535 /nfs/dbraw/zinc/30/25/35/446302535.db2.gz IODSSPOWQGHLAI-VIFPVBQESA-N -1 1 346.347 1.504 20 5 EDBDMM Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC000368690548 447039838 /nfs/dbraw/zinc/03/98/38/447039838.db2.gz WOOUANAVPRKPQB-LBPRGKRZSA-N -1 1 345.359 1.986 20 5 EDBDMM CN(C)C(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000444846969 447143174 /nfs/dbraw/zinc/14/31/74/447143174.db2.gz IIFDCVBQXCIGDG-UHFFFAOYSA-N -1 1 344.327 1.327 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c([N+](=O)[O-])n1 ZINC000416645389 447667046 /nfs/dbraw/zinc/66/70/46/447667046.db2.gz FUDGDZWWHHKJCM-RKDXNWHRSA-N -1 1 326.334 1.239 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC[C@H]2CCCO2)s1 ZINC000523734155 447904899 /nfs/dbraw/zinc/90/48/99/447904899.db2.gz GAPGXCPPPDHNDG-SECBINFHSA-N -1 1 336.391 1.130 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000532676531 448293520 /nfs/dbraw/zinc/29/35/20/448293520.db2.gz QSOHLGDRBWPHDI-VIFPVBQESA-N -1 1 332.316 1.798 20 5 EDBDMM COC1([C@@H](C(=O)[O-])N2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000573578643 448664365 /nfs/dbraw/zinc/66/43/65/448664365.db2.gz FXDSNHQBGFQRCS-CQSZACIVSA-N -1 1 336.344 1.812 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2CCC(F)CC2)c([N+](=O)[O-])n1 ZINC000592105532 448688172 /nfs/dbraw/zinc/68/81/72/448688172.db2.gz HREQHUPVXDZXRR-UHFFFAOYSA-N -1 1 334.373 1.618 20 5 EDBDMM CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OC(C)(C)C ZINC000597873110 449129760 /nfs/dbraw/zinc/12/97/60/449129760.db2.gz IJVTUZLRXYPYMC-VIFPVBQESA-N -1 1 339.348 1.888 20 5 EDBDMM Cc1cc(N2CCN(C[C@H]3CCCO3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000592967134 449089475 /nfs/dbraw/zinc/08/94/75/449089475.db2.gz RHKUFHHVWNJQKO-CYBMUJFWSA-N -1 1 349.387 1.902 20 5 EDBDMM C[C@H]1OCC[C@H]1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000593256878 449191197 /nfs/dbraw/zinc/19/11/97/449191197.db2.gz OJIDAWRJBAKINX-GMSGAONNSA-N -1 1 330.318 1.212 20 5 EDBDMM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000595977520 449294430 /nfs/dbraw/zinc/29/44/30/449294430.db2.gz GLCSUOGVSGAYBZ-AMFBXLIHSA-N -1 1 331.328 1.509 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000611534757 449326801 /nfs/dbraw/zinc/32/68/01/449326801.db2.gz OEKYMWJKBPLMCP-CQSZACIVSA-N -1 1 349.387 1.627 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000611534756 449326980 /nfs/dbraw/zinc/32/69/80/449326980.db2.gz OEKYMWJKBPLMCP-AWEZNQCLSA-N -1 1 349.387 1.627 20 5 EDBDMM CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598474465 449412818 /nfs/dbraw/zinc/41/28/18/449412818.db2.gz RAQJAZSZTUJCQW-XHDPSFHLSA-N -1 1 337.332 1.547 20 5 EDBDMM O=C(NCc1n[nH]c([C@H]2CCCO2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000594387834 449486781 /nfs/dbraw/zinc/48/67/81/449486781.db2.gz XWFIFUADLYOZSE-LLVKDONJSA-N -1 1 333.304 1.200 20 5 EDBDMM C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(=O)[O-] ZINC000600698605 449499783 /nfs/dbraw/zinc/49/97/83/449499783.db2.gz DIQIIXMOYHAWLE-RISCZKNCSA-N -1 1 347.371 1.527 20 5 EDBDMM C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598775169 449594552 /nfs/dbraw/zinc/59/45/52/449594552.db2.gz AVTYMOMFWKTLRB-QMTHXVAHSA-N -1 1 331.328 1.590 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000594865295 449779285 /nfs/dbraw/zinc/77/92/85/449779285.db2.gz OMNWRHIOFDAUBG-QWRGUYRKSA-N -1 1 346.792 1.830 20 5 EDBDMM Cc1nc(C)c(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)o1 ZINC000599317314 449888308 /nfs/dbraw/zinc/88/83/08/449888308.db2.gz UJUNBYVUUYSOCJ-UHFFFAOYSA-N -1 1 329.309 1.817 20 5 EDBDMM CCCc1cc(=O)n2[n-]c(NC(=O)c3ccccc3[N+](=O)[O-])nc2n1 ZINC000608866025 449946450 /nfs/dbraw/zinc/94/64/50/449946450.db2.gz VATIBRKMEAWBGU-UHFFFAOYSA-N -1 1 342.315 1.531 20 5 EDBDMM CCCC(=O)NC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000618352906 450170165 /nfs/dbraw/zinc/17/01/65/450170165.db2.gz LRSQGQWIFRUPBT-UHFFFAOYSA-N -1 1 336.348 1.216 20 5 EDBDMM O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383169 450187401 /nfs/dbraw/zinc/18/74/01/450187401.db2.gz KZYMVRMZFXIIMM-GFCCVEGCSA-N -1 1 348.359 1.216 20 5 EDBDMM CCOC(=O)c1nc(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n[n-]1 ZINC000615920308 450271676 /nfs/dbraw/zinc/27/16/76/450271676.db2.gz VNGUASDJJQLUCN-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000615920308 450271679 /nfs/dbraw/zinc/27/16/79/450271679.db2.gz VNGUASDJJQLUCN-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM C[C@H]1C[C@@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736758211 579017943 /nfs/dbraw/zinc/01/79/43/579017943.db2.gz BZBWJYCFGOLORS-GWCFXTLKSA-N -1 1 335.360 1.848 20 5 EDBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738245494 579176805 /nfs/dbraw/zinc/17/68/05/579176805.db2.gz RCRRVMBOWGTTCM-UHFFFAOYSA-N -1 1 332.301 1.588 20 5 EDBDMM O=C(OCc1csc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738245494 579176807 /nfs/dbraw/zinc/17/68/07/579176807.db2.gz RCRRVMBOWGTTCM-UHFFFAOYSA-N -1 1 332.301 1.588 20 5 EDBDMM O=C(c1ccc(-c2nnn[n-]2)nc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000738259209 579178751 /nfs/dbraw/zinc/17/87/51/579178751.db2.gz NUONWYANGSFMOO-UHFFFAOYSA-N -1 1 337.299 1.373 20 5 EDBDMM O=C(c1ccc(-c2nn[n-]n2)nc1)N1CCc2c1cccc2[N+](=O)[O-] ZINC000738259209 579178752 /nfs/dbraw/zinc/17/87/52/579178752.db2.gz NUONWYANGSFMOO-UHFFFAOYSA-N -1 1 337.299 1.373 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CCO)c1cccs1 ZINC000751433854 579806500 /nfs/dbraw/zinc/80/65/00/579806500.db2.gz AXVKYGWNOFQAJK-SECBINFHSA-N -1 1 343.386 1.453 20 5 EDBDMM CCc1c[nH]c(SCC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1 ZINC000761872286 580063028 /nfs/dbraw/zinc/06/30/28/580063028.db2.gz DZXSKDGDYNXSPZ-UHFFFAOYSA-N -1 1 334.357 1.929 20 5 EDBDMM Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c(N)c([N+](=O)[O-])c1 ZINC000774942931 580378413 /nfs/dbraw/zinc/37/84/13/580378413.db2.gz ICNOUDBZLFOVAM-UHFFFAOYSA-N -1 1 349.265 1.711 20 5 EDBDMM Nc1nccc(N2CCC[C@H](OC(=O)c3ccc([N+](=O)[O-])[n-]3)C2)n1 ZINC000810766788 593428212 /nfs/dbraw/zinc/42/82/12/593428212.db2.gz OGYAGEGVEQMAFS-VIFPVBQESA-N -1 1 332.320 1.121 20 5 EDBDMM COc1ccncc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000814278048 593581326 /nfs/dbraw/zinc/58/13/26/593581326.db2.gz CNNNDOXKPAJGIP-UHFFFAOYSA-N -1 1 329.359 1.538 20 5 EDBDMM Cn1cncc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815046677 593611873 /nfs/dbraw/zinc/61/18/73/593611873.db2.gz BDKJSFINYHAIGJ-UHFFFAOYSA-N -1 1 348.743 1.599 20 5 EDBDMM C[C@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccsc1 ZINC000820467589 593820748 /nfs/dbraw/zinc/82/07/48/593820748.db2.gz KFCAJGIIANQIMP-ZDUSSCGKSA-N -1 1 347.360 1.551 20 5 EDBDMM C[C@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccsc1 ZINC000820467589 593820749 /nfs/dbraw/zinc/82/07/49/593820749.db2.gz KFCAJGIIANQIMP-ZDUSSCGKSA-N -1 1 347.360 1.551 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[NH+]1CCCCCC1 ZINC000823625143 594222580 /nfs/dbraw/zinc/22/25/80/594222580.db2.gz QIVURNBDCOKDQP-UHFFFAOYSA-N -1 1 332.368 1.458 20 5 EDBDMM COc1cc(F)cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000826180622 594365372 /nfs/dbraw/zinc/36/53/72/594365372.db2.gz PSCISTPQHQDQOO-UHFFFAOYSA-N -1 1 345.294 1.930 20 5 EDBDMM COc1cc(F)cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000826180622 594365373 /nfs/dbraw/zinc/36/53/73/594365373.db2.gz PSCISTPQHQDQOO-UHFFFAOYSA-N -1 1 345.294 1.930 20 5 EDBDMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000829286278 594592863 /nfs/dbraw/zinc/59/28/63/594592863.db2.gz GFEOGUTVOYSPQF-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1=CCOCC1 ZINC000831828756 594705768 /nfs/dbraw/zinc/70/57/68/594705768.db2.gz BDIVKOLICMEMTH-UHFFFAOYSA-N -1 1 332.765 1.873 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000832310299 594741977 /nfs/dbraw/zinc/74/19/77/594741977.db2.gz QUYDOGNBXDHSHW-MUWHJKNJSA-N -1 1 340.760 1.825 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C)cc1F ZINC000867092352 594845953 /nfs/dbraw/zinc/84/59/53/594845953.db2.gz JXLIBHWAPKBYCD-TVQRCGJNSA-N -1 1 332.353 1.888 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000845941165 595101384 /nfs/dbraw/zinc/10/13/84/595101384.db2.gz CXFZNRRYWBVGGA-SECBINFHSA-N -1 1 340.188 1.852 20 5 EDBDMM O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847090252 595362152 /nfs/dbraw/zinc/36/21/52/595362152.db2.gz IQBSYRLKEDMYHE-CMPLNLGQSA-N -1 1 348.315 1.123 20 5 EDBDMM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)c1ncn(C)n1 ZINC000848593119 595412422 /nfs/dbraw/zinc/41/24/22/595412422.db2.gz YKTLKEHYLMSBQG-MRVPVSSYSA-N -1 1 341.274 1.572 20 5 EDBDMM CC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849456822 595535705 /nfs/dbraw/zinc/53/57/05/595535705.db2.gz ZFHYVLKSXZLANA-ZCFIWIBFSA-N -1 1 326.733 1.437 20 5 EDBDMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(C)(C)[N+](=O)[O-])o1 ZINC000851124815 595736331 /nfs/dbraw/zinc/73/63/31/595736331.db2.gz MIBBEZIEINZBBD-UHFFFAOYSA-N -1 1 348.377 1.569 20 5 EDBDMM O=C([N-]S(=O)(=O)CC[C@H]1CCc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000851548822 595838726 /nfs/dbraw/zinc/83/87/26/595838726.db2.gz MEAHBZHAHRMECH-MRVWCRGKSA-N -1 1 338.385 1.218 20 5 EDBDMM C[C@@H]1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000853986574 595942608 /nfs/dbraw/zinc/94/26/08/595942608.db2.gz MUTGSVBMGWVXPK-SFYZADRCSA-N -1 1 348.281 1.589 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]CC2COC2)c(Cl)cc1Cl ZINC000859372475 596071402 /nfs/dbraw/zinc/07/14/02/596071402.db2.gz RYQXNLIKHUMMJW-UHFFFAOYSA-N -1 1 341.172 1.826 20 5 EDBDMM CC1([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)COC1 ZINC000867630707 596469201 /nfs/dbraw/zinc/46/92/01/596469201.db2.gz LDFHEHDENLCZEU-UHFFFAOYSA-N -1 1 341.172 1.969 20 5 EDBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000119383814 596537055 /nfs/dbraw/zinc/53/70/55/596537055.db2.gz RUHZMRHTUVYLIX-UHFFFAOYSA-N -1 1 329.359 1.538 20 5 EDBDMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000186959860 236077779 /nfs/dbraw/zinc/07/77/79/236077779.db2.gz GLLJQLDTCGLQLB-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000028940644 201064307 /nfs/dbraw/zinc/06/43/07/201064307.db2.gz FMSXIZBRQNRTNE-TXEJJXNPSA-N -1 1 337.376 1.530 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000030646530 201067183 /nfs/dbraw/zinc/06/71/83/201067183.db2.gz KGTVHHRMGGHXOX-CQSZACIVSA-N -1 1 329.312 1.497 20 5 EDBDMM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)ccc1=O ZINC000066410319 201157607 /nfs/dbraw/zinc/15/76/07/201157607.db2.gz PPTHYBTVLKWLTC-UHFFFAOYSA-N -1 1 329.359 1.639 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(O)(c2ccccc2)CC1 ZINC000194016204 138983832 /nfs/dbraw/zinc/98/38/32/138983832.db2.gz CNSDTMNBMWZSTE-UHFFFAOYSA-N -1 1 343.339 1.819 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)co1 ZINC000158182436 206177043 /nfs/dbraw/zinc/17/70/43/206177043.db2.gz UKVFWSWWAXTDBA-UHFFFAOYSA-N -1 1 339.329 1.657 20 5 EDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263336671 139336685 /nfs/dbraw/zinc/33/66/85/139336685.db2.gz MOWQZFHAGVFHLZ-GRYCIOLGSA-N -1 1 335.360 1.964 20 5 EDBDMM CC(C)N1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000263649310 139349841 /nfs/dbraw/zinc/34/98/41/139349841.db2.gz GIPNELBNWGEGFG-VIFPVBQESA-N -1 1 345.352 1.022 20 5 EDBDMM CCCC(=O)N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000263710497 139354669 /nfs/dbraw/zinc/35/46/69/139354669.db2.gz QKANWNLJVUJYHA-JTQLQIEISA-N -1 1 336.348 1.216 20 5 EDBDMM Cc1cnc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)s1 ZINC000488755327 255052724 /nfs/dbraw/zinc/05/27/24/255052724.db2.gz SQJCGZSWXQYDFQ-UHFFFAOYSA-N -1 1 349.372 1.423 20 5 EDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000492208400 255162198 /nfs/dbraw/zinc/16/21/98/255162198.db2.gz NSMYKZMHZQWOQY-KRZKBDHCSA-N -1 1 328.332 1.527 20 5 EDBDMM COc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc([N+](=O)[O-])c1C ZINC000190215395 533510687 /nfs/dbraw/zinc/51/06/87/533510687.db2.gz KKYBSIUBVYCEEH-QMMMGPOBSA-N -1 1 334.336 1.301 20 5 EDBDMM COC(=O)CCCCCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268382717 139771733 /nfs/dbraw/zinc/77/17/33/139771733.db2.gz CMPROFFJPOCLTG-UHFFFAOYSA-N -1 1 339.348 1.939 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000319921388 140659180 /nfs/dbraw/zinc/65/91/80/140659180.db2.gz AIPUCUVOWRILNX-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)s1 ZINC000344920906 143026989 /nfs/dbraw/zinc/02/69/89/143026989.db2.gz AEXWIHVMGKOHIP-SNVBAGLBSA-N -1 1 343.386 1.106 20 5 EDBDMM CC(C)c1ccc(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000364804757 153339385 /nfs/dbraw/zinc/33/93/85/153339385.db2.gz RCVBTRYOJKJTHB-ZDUSSCGKSA-N -1 1 346.347 1.445 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367706226 154237213 /nfs/dbraw/zinc/23/72/13/154237213.db2.gz RCSWCEJVQZSKSB-INIZCTEOSA-N -1 1 347.302 1.568 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](c2ccccc2)C1 ZINC000275009726 268263045 /nfs/dbraw/zinc/26/30/45/268263045.db2.gz WUEJYJDDLFDBSQ-CQSZACIVSA-N -1 1 329.312 1.909 20 5 EDBDMM CCCNC(=O)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000275104736 268282147 /nfs/dbraw/zinc/28/21/47/268282147.db2.gz JHGXQACNKWLNCY-UHFFFAOYSA-N -1 1 336.348 1.074 20 5 EDBDMM CCC[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OCC ZINC000279538819 273305023 /nfs/dbraw/zinc/30/50/23/273305023.db2.gz QNVTWLVXNYBYTL-SECBINFHSA-N -1 1 325.321 1.405 20 5 EDBDMM CC(C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n[nH]1 ZINC000295191044 303186102 /nfs/dbraw/zinc/18/61/02/303186102.db2.gz DBLWMILDVUZFHS-UHFFFAOYSA-N -1 1 343.340 1.454 20 5 EDBDMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000295283813 303199280 /nfs/dbraw/zinc/19/92/80/303199280.db2.gz MVSSQIIGHVKEER-UHFFFAOYSA-N -1 1 343.340 1.454 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2(COC)CCCC2)c([N+](=O)[O-])n1 ZINC000516492434 305738044 /nfs/dbraw/zinc/73/80/44/305738044.db2.gz ZEEJMSSWMNDBKW-UHFFFAOYSA-N -1 1 332.382 1.049 20 5 EDBDMM O=C([O-])c1cc(NS(=O)(=O)[C@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000547917162 306114776 /nfs/dbraw/zinc/11/47/76/306114776.db2.gz AGGKJJFHQIIZPS-NSHDSACASA-N -1 1 330.318 1.214 20 5 EDBDMM O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000549585289 306146850 /nfs/dbraw/zinc/14/68/50/306146850.db2.gz SRMUJZLTKSWOQN-UHFFFAOYSA-N -1 1 328.288 1.526 20 5 EDBDMM Cc1ccc(NC(=O)Cc2sc(N(C)C)nc2[O-])c([N+](=O)[O-])c1 ZINC000028757226 441437136 /nfs/dbraw/zinc/43/71/36/441437136.db2.gz WQVUHRAHNUQRND-LLVKDONJSA-N -1 1 336.373 1.791 20 5 EDBDMM Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]c1=S ZINC000067051230 441601326 /nfs/dbraw/zinc/60/13/26/441601326.db2.gz ZPUWXCIAGSQHFA-UHFFFAOYSA-N -1 1 325.325 1.497 20 5 EDBDMM Cc1ccc([C@H]2CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)o1 ZINC000154278018 442329736 /nfs/dbraw/zinc/32/97/36/442329736.db2.gz YKNYASIBLJLJLD-CYBMUJFWSA-N -1 1 333.300 1.811 20 5 EDBDMM Cn1cnc(S(=O)(=O)[N-]CCc2ccccc2[N+](=O)[O-])c1Cl ZINC000266356643 443106095 /nfs/dbraw/zinc/10/60/95/443106095.db2.gz YMJVJPBIDLMHKS-UHFFFAOYSA-N -1 1 344.780 1.503 20 5 EDBDMM CCCN1C[C@@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000420710060 319638884 /nfs/dbraw/zinc/63/88/84/319638884.db2.gz UJAWERHJBGCDGU-SECBINFHSA-N -1 1 347.418 1.193 20 5 EDBDMM COc1ccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000440319152 320070716 /nfs/dbraw/zinc/07/07/16/320070716.db2.gz XFTJQWXHTQFGFS-SNVBAGLBSA-N -1 1 347.327 1.901 20 5 EDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000342305899 444621842 /nfs/dbraw/zinc/62/18/42/444621842.db2.gz SKSBBWUHTGHWCE-LLVKDONJSA-N -1 1 348.764 1.478 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC[C@@H]1CCOC1 ZINC000343995009 444715917 /nfs/dbraw/zinc/71/59/17/444715917.db2.gz QKERWTSAGCCMDD-SECBINFHSA-N -1 1 334.781 1.953 20 5 EDBDMM CC[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1C[C@@H](C)O ZINC000330620099 445065107 /nfs/dbraw/zinc/06/51/07/445065107.db2.gz ZWMIOSSMFPQVCS-NEPJUHHUSA-N -1 1 337.376 1.218 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](CO)C2)s1 ZINC000344954705 445152009 /nfs/dbraw/zinc/15/20/09/445152009.db2.gz FVLARIJEBFNRHY-NXEZZACHSA-N -1 1 334.419 1.733 20 5 EDBDMM Cc1nnc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)[nH]1 ZINC000363171235 445706244 /nfs/dbraw/zinc/70/62/44/445706244.db2.gz VFWCDFSDNDLKHY-UHFFFAOYSA-N -1 1 332.320 1.142 20 5 EDBDMM Cc1cccc(C(=O)NCCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361982747 446127376 /nfs/dbraw/zinc/12/73/76/446127376.db2.gz LALXPCWCJKSTDR-UHFFFAOYSA-N -1 1 344.327 1.164 20 5 EDBDMM CN(C)C(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000416583097 447653334 /nfs/dbraw/zinc/65/33/34/447653334.db2.gz HREJMVWJBLWBPN-UHFFFAOYSA-N -1 1 347.780 1.147 20 5 EDBDMM CNc1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000571278801 448125927 /nfs/dbraw/zinc/12/59/27/448125927.db2.gz NBJYFFJJLPNJSX-JTQLQIEISA-N -1 1 347.331 1.745 20 5 EDBDMM COC[C@]1(C(=O)[O-])CCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000591652942 448433170 /nfs/dbraw/zinc/43/31/70/448433170.db2.gz SDJLGKSOOZBZDB-HNNXBMFYSA-N -1 1 348.315 1.177 20 5 EDBDMM COCCN1CC[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000592763637 448977103 /nfs/dbraw/zinc/97/71/03/448977103.db2.gz YGILVEVJOABKTF-JTQLQIEISA-N -1 1 343.767 1.404 20 5 EDBDMM C[C@@H]1CCCN(CCNS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000603976549 449167384 /nfs/dbraw/zinc/16/73/84/449167384.db2.gz GNEKDNAGZLUBQW-LLVKDONJSA-N -1 1 343.405 1.311 20 5 EDBDMM O=C([O-])[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000596001798 449308874 /nfs/dbraw/zinc/30/88/74/449308874.db2.gz GPEQTBGXLUCDOA-LLVKDONJSA-N -1 1 332.316 1.702 20 5 EDBDMM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)on1 ZINC000593546029 449337822 /nfs/dbraw/zinc/33/78/22/449337822.db2.gz ISSCQYIFYLTQAC-UHFFFAOYSA-N -1 1 326.334 1.580 20 5 EDBDMM O=C([O-])C[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000595249925 449976089 /nfs/dbraw/zinc/97/60/89/449976089.db2.gz LYGJACPXBMMZOF-VIFPVBQESA-N -1 1 332.316 1.702 20 5 EDBDMM C[C@H](CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000183409423 534015212 /nfs/dbraw/zinc/01/52/12/534015212.db2.gz QMVHDJAZKOYUPT-SECBINFHSA-N -1 1 345.363 1.558 20 5 EDBDMM CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000345539990 536828703 /nfs/dbraw/zinc/82/87/03/536828703.db2.gz LPJTVICFBCIBOK-CMPLNLGQSA-N -1 1 347.331 1.329 20 5 EDBDMM C[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736758213 579018066 /nfs/dbraw/zinc/01/80/66/579018066.db2.gz BZBWJYCFGOLORS-MFKMUULPSA-N -1 1 335.360 1.848 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000773157128 580328710 /nfs/dbraw/zinc/32/87/10/580328710.db2.gz GIAWQTAAYAPLFZ-GFCCVEGCSA-N -1 1 348.388 1.357 20 5 EDBDMM COC(=O)c1ccc(C(=O)OCCOc2ccccc2[N+](=O)[O-])[n-]1 ZINC000796363091 580952117 /nfs/dbraw/zinc/95/21/17/580952117.db2.gz PKACHSOFJPLOOT-UHFFFAOYSA-N -1 1 334.284 1.945 20 5 EDBDMM COC(=O)c1ccc(C(=O)OCCOc2ccc([N+](=O)[O-])cc2)[n-]1 ZINC000796363913 580952157 /nfs/dbraw/zinc/95/21/57/580952157.db2.gz XUOYTGGJPIKCOX-UHFFFAOYSA-N -1 1 334.284 1.945 20 5 EDBDMM O=C([N-]CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1)C(F)(F)F ZINC000799021518 581014400 /nfs/dbraw/zinc/01/44/00/581014400.db2.gz DNOVDGKDXYTCKI-UHFFFAOYSA-N -1 1 348.281 1.454 20 5 EDBDMM CS(=O)(=O)c1nccc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2F)n1 ZINC000813394852 593530947 /nfs/dbraw/zinc/53/09/47/593530947.db2.gz QOXLZPZWLWUXSA-UHFFFAOYSA-N -1 1 340.292 1.180 20 5 EDBDMM CC[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019769 593609965 /nfs/dbraw/zinc/60/99/65/593609965.db2.gz MQJQBOOOKYCWHI-SSDOTTSWSA-N -1 1 340.760 1.827 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1(CO)CCC1 ZINC000815031636 593610898 /nfs/dbraw/zinc/61/08/98/593610898.db2.gz YYJNEHIOYHVGPI-UHFFFAOYSA-N -1 1 338.744 1.581 20 5 EDBDMM C[C@@H](COCC(F)(F)F)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820287218 593806479 /nfs/dbraw/zinc/80/64/79/593806479.db2.gz KMUCUEPEJIPGFJ-LURJTMIESA-N -1 1 347.257 1.549 20 5 EDBDMM C[C@@H](COCC(F)(F)F)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820287218 593806480 /nfs/dbraw/zinc/80/64/80/593806480.db2.gz KMUCUEPEJIPGFJ-LURJTMIESA-N -1 1 347.257 1.549 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000824453850 594015917 /nfs/dbraw/zinc/01/59/17/594015917.db2.gz YTGKYLQSKKAEIJ-MRVPVSSYSA-N -1 1 325.325 1.314 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC1(O)CCCCCC1 ZINC000823620241 594222019 /nfs/dbraw/zinc/22/20/19/594222019.db2.gz IUCUFSUUNSJNJI-UHFFFAOYSA-N -1 1 333.352 1.667 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC1(O)CCCCCC1 ZINC000823620241 594222020 /nfs/dbraw/zinc/22/20/20/594222020.db2.gz IUCUFSUUNSJNJI-UHFFFAOYSA-N -1 1 333.352 1.667 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ccc(F)cc1 ZINC000823624594 594222676 /nfs/dbraw/zinc/22/26/76/594222676.db2.gz FBDMKHKGINKJCI-UHFFFAOYSA-N -1 1 345.294 1.800 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ccc(F)cc1 ZINC000823624594 594222677 /nfs/dbraw/zinc/22/26/77/594222677.db2.gz FBDMKHKGINKJCI-UHFFFAOYSA-N -1 1 345.294 1.800 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)CCF ZINC000846013634 595122302 /nfs/dbraw/zinc/12/23/02/595122302.db2.gz MDSFDPYYSOJECG-QMMMGPOBSA-N -1 1 326.733 1.247 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@](C)(O)c1ccccc1 ZINC000846404472 595223100 /nfs/dbraw/zinc/22/31/00/595223100.db2.gz MNBIRAVTEWZOAR-QFYYESIMSA-N -1 1 331.328 1.721 20 5 EDBDMM COCCN1CCC[C@@H](Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000844208290 595302478 /nfs/dbraw/zinc/30/24/78/595302478.db2.gz GPZYHDDKAXNTKE-LLVKDONJSA-N -1 1 338.364 1.519 20 5 EDBDMM O=C([O-])[C@H]1c2ccoc2CCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000863473097 596591921 /nfs/dbraw/zinc/59/19/21/596591921.db2.gz ZJRAISGXDNPBSL-UKRRQHHQSA-N -1 1 332.312 1.905 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000872558466 596964103 /nfs/dbraw/zinc/96/41/03/596964103.db2.gz NAJKGZPRACKJAG-NHCYSSNCSA-N -1 1 344.364 1.970 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC(NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000739375717 602419141 /nfs/dbraw/zinc/41/91/41/602419141.db2.gz GJQQEPSFINNTSX-UHFFFAOYSA-N -1 1 325.325 1.143 20 5 EDBDMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CCN1C(=O)[O-] ZINC000739178773 602949573 /nfs/dbraw/zinc/94/95/73/602949573.db2.gz ZMAAYSGTSLLURL-MRVPVSSYSA-N -1 1 333.304 1.295 20 5 EDBDMM C[C@@H]([C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000558685707 306244075 /nfs/dbraw/zinc/24/40/75/306244075.db2.gz PHVDADFWEYUVHB-RDDDGLTNSA-N -1 1 346.336 1.512 20 5 EDBDMM C[C@H]1CN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)CCO1 ZINC000130450562 138341434 /nfs/dbraw/zinc/34/14/34/138341434.db2.gz KLVFZJQKKDMIQE-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM COCCC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000152775829 201393668 /nfs/dbraw/zinc/39/36/68/201393668.db2.gz HJZJWGSZHBYFEC-UHFFFAOYSA-N -1 1 332.353 1.829 20 5 EDBDMM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000223592354 139021329 /nfs/dbraw/zinc/02/13/29/139021329.db2.gz CKORDFDWKBPHPA-CBAPKCEASA-N -1 1 338.382 1.125 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1CC(F)F ZINC000133589091 205371788 /nfs/dbraw/zinc/37/17/88/205371788.db2.gz RQBGZECKUOKNSO-SECBINFHSA-N -1 1 344.318 1.497 20 5 EDBDMM O=C1CC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C2(CCC2)N1 ZINC000374654044 296329756 /nfs/dbraw/zinc/32/97/56/296329756.db2.gz QVUNHWHCWHPQLE-QMMMGPOBSA-N -1 1 345.402 1.136 20 5 EDBDMM CO[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000452759821 254758748 /nfs/dbraw/zinc/75/87/48/254758748.db2.gz YKHUTXJRXUNKKZ-INIZCTEOSA-N -1 1 331.328 1.987 20 5 EDBDMM Cc1c(CC(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000332477935 141187979 /nfs/dbraw/zinc/18/79/79/141187979.db2.gz YFSHKAISZZYIPZ-LBPRGKRZSA-N -1 1 346.343 1.941 20 5 EDBDMM NC(=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000274979268 268255193 /nfs/dbraw/zinc/25/51/93/268255193.db2.gz XNFDTRQLVSRWAH-NSHDSACASA-N -1 1 336.348 1.250 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)[N-]N2Cc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000273090368 273028454 /nfs/dbraw/zinc/02/84/54/273028454.db2.gz JOBPCYBPQASODN-UHFFFAOYSA-N -1 1 329.316 1.742 20 5 EDBDMM CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[nH]1 ZINC000278047840 273243697 /nfs/dbraw/zinc/24/36/97/273243697.db2.gz ZVQFQUNZWHQCLU-HTQZYQBOSA-N -1 1 334.336 1.818 20 5 EDBDMM CC[C@H](C)c1nnc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[nH]1 ZINC000278047843 273243701 /nfs/dbraw/zinc/24/37/01/273243701.db2.gz ZVQFQUNZWHQCLU-JGVFFNPUSA-N -1 1 334.336 1.818 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000287484361 288247950 /nfs/dbraw/zinc/24/79/50/288247950.db2.gz QOQWCSMDBRTFFC-UHFFFAOYSA-N -1 1 332.765 1.873 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](CN2CCOCC2)C1 ZINC000184775160 304532814 /nfs/dbraw/zinc/53/28/14/304532814.db2.gz ZADJFTHKVSFYIR-CYBMUJFWSA-N -1 1 349.387 1.485 20 5 EDBDMM CCn1ncc2c1CCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365665496 303836267 /nfs/dbraw/zinc/83/62/67/303836267.db2.gz PNGQBMYUYPQWDS-LLVKDONJSA-N -1 1 331.332 1.719 20 5 EDBDMM O=C([O-])c1cc(NS(=O)(=O)CCOCC2CC2)cc([N+](=O)[O-])c1 ZINC000424059044 304926555 /nfs/dbraw/zinc/92/65/55/304926555.db2.gz FEQCVIAFZMMIGU-UHFFFAOYSA-N -1 1 344.345 1.461 20 5 EDBDMM CC(C)c1ncc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000442971448 305232260 /nfs/dbraw/zinc/23/22/60/305232260.db2.gz YVRFGPLPABYZMY-UHFFFAOYSA-N -1 1 331.332 1.881 20 5 EDBDMM CCO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000452061588 305381230 /nfs/dbraw/zinc/38/12/30/305381230.db2.gz POTSGQWKBCVZNS-NXEZZACHSA-N -1 1 332.382 1.047 20 5 EDBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[nH]1 ZINC000534242913 306004631 /nfs/dbraw/zinc/00/46/31/306004631.db2.gz KYEKRZGAJURPGJ-MRVPVSSYSA-N -1 1 340.365 1.271 20 5 EDBDMM CC(=O)N1CCC(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000104764350 441205692 /nfs/dbraw/zinc/20/56/92/441205692.db2.gz OYEASCAOGWQDSJ-UHFFFAOYSA-N -1 1 347.418 1.193 20 5 EDBDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000032096971 441546523 /nfs/dbraw/zinc/54/65/23/441546523.db2.gz MGPHULXKOPCDQX-UHFFFAOYSA-N -1 1 349.368 1.732 20 5 EDBDMM CCOC(=O)c1cc(NCCCc2nc(=O)[n-][nH]2)ccc1[N+](=O)[O-] ZINC000127400453 442200225 /nfs/dbraw/zinc/20/02/25/442200225.db2.gz ZNSXLYYXDPUOPL-UHFFFAOYSA-N -1 1 335.320 1.228 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000192132009 442600121 /nfs/dbraw/zinc/60/01/21/442600121.db2.gz GYZJBVLRLUIRAX-UHFFFAOYSA-N -1 1 346.258 1.782 20 5 EDBDMM C[S@](=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187135929 442655165 /nfs/dbraw/zinc/65/51/65/442655165.db2.gz ZXGJUIUBFVOKIG-YYUOZPCZSA-N -1 1 349.368 1.545 20 5 EDBDMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195476080 443022489 /nfs/dbraw/zinc/02/24/89/443022489.db2.gz DUYDFTBEPNQBIF-CPCISQLKSA-N -1 1 347.780 1.051 20 5 EDBDMM COCCNc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000268558942 443034156 /nfs/dbraw/zinc/03/41/56/443034156.db2.gz CYSMNIYOMIVPNC-UHFFFAOYSA-N -1 1 346.343 1.684 20 5 EDBDMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000279152348 443521329 /nfs/dbraw/zinc/52/13/29/443521329.db2.gz DSAITWNSWQGLSJ-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM NC(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O ZINC000436756533 320023009 /nfs/dbraw/zinc/02/30/09/320023009.db2.gz RXTGEZPXNHNMFP-UHFFFAOYSA-N -1 1 337.313 1.200 20 5 EDBDMM COc1cccc(O[C@@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000440266474 320067650 /nfs/dbraw/zinc/06/76/50/320067650.db2.gz CJMRDJFBOIZIOI-JTQLQIEISA-N -1 1 347.327 1.901 20 5 EDBDMM O=C(C=Cc1ccc(F)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000492362203 320377762 /nfs/dbraw/zinc/37/77/62/320377762.db2.gz CVXKJSLXPGGUAS-DUMNWFOQSA-N -1 1 346.322 1.666 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nncn1C1CC1 ZINC000281172272 443837918 /nfs/dbraw/zinc/83/79/18/443837918.db2.gz MNKIORRACPVIHY-UHFFFAOYSA-N -1 1 341.324 1.139 20 5 EDBDMM COCC1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCCC1 ZINC000562063736 321045909 /nfs/dbraw/zinc/04/59/09/321045909.db2.gz FRCDBNXPBPTUBT-UHFFFAOYSA-N -1 1 343.405 1.865 20 5 EDBDMM Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000290704039 444313188 /nfs/dbraw/zinc/31/31/88/444313188.db2.gz NTIWTBPUEROUSO-QMMMGPOBSA-N -1 1 335.286 1.223 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])n1 ZINC000331244206 444455774 /nfs/dbraw/zinc/45/57/74/444455774.db2.gz ZIVUOWDZDDANOA-HBNTYKKESA-N -1 1 330.410 1.914 20 5 EDBDMM CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000343700243 444529220 /nfs/dbraw/zinc/52/92/20/444529220.db2.gz PQWMQIUBIIJVPQ-UHFFFAOYSA-N -1 1 338.345 1.937 20 5 EDBDMM CCS[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339042299 445003840 /nfs/dbraw/zinc/00/38/40/445003840.db2.gz KUYKOOAEZDRATE-NXEZZACHSA-N -1 1 348.450 1.764 20 5 EDBDMM CCSCC[C@@H](C)[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339045691 445005772 /nfs/dbraw/zinc/00/57/72/445005772.db2.gz YOPNGRIMTORXRL-SECBINFHSA-N -1 1 336.439 1.621 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000339047710 445008344 /nfs/dbraw/zinc/00/83/44/445008344.db2.gz HFQAWXCRBXSPMF-QWRGUYRKSA-N -1 1 330.410 1.916 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])c1ccncc1 ZINC000339048946 445009259 /nfs/dbraw/zinc/00/92/59/445009259.db2.gz SIXRKWJPLAUPQH-LLVKDONJSA-N -1 1 339.377 1.636 20 5 EDBDMM Nc1c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000339197443 445084839 /nfs/dbraw/zinc/08/48/39/445084839.db2.gz CZVBLUXMMZLXTG-MRVPVSSYSA-N -1 1 333.304 1.285 20 5 EDBDMM Cn1cc([C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@@H]2CO)cn1 ZINC000339129575 445046287 /nfs/dbraw/zinc/04/62/87/445046287.db2.gz TZYJFQUNKDUKAF-UKRRQHHQSA-N -1 1 332.360 1.242 20 5 EDBDMM O=C(Nc1nnn[n-]1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365435882 446205246 /nfs/dbraw/zinc/20/52/46/446205246.db2.gz FLWUPTJJANNVAA-WCQYABFASA-N -1 1 343.347 1.278 20 5 EDBDMM O=C(Nc1nn[n-]n1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365435882 446205249 /nfs/dbraw/zinc/20/52/49/446205249.db2.gz FLWUPTJJANNVAA-WCQYABFASA-N -1 1 343.347 1.278 20 5 EDBDMM Cn1[n-]cc2c(=NS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccnc1-2 ZINC000359413952 446209719 /nfs/dbraw/zinc/20/97/19/446209719.db2.gz PLKNQLNNSGYHIJ-UHFFFAOYSA-N -1 1 339.358 1.112 20 5 EDBDMM O=C(N[C@@H]1CCc2ccccc2OC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000374881494 446432933 /nfs/dbraw/zinc/43/29/33/446432933.db2.gz UWSXNSBLRRBCMQ-GFCCVEGCSA-N -1 1 329.312 1.819 20 5 EDBDMM COc1cccc2c1C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000412412672 446952171 /nfs/dbraw/zinc/95/21/71/446952171.db2.gz CXPIMKXPGMBXQI-JTQLQIEISA-N -1 1 329.312 1.601 20 5 EDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]2CCCCN12 ZINC000416516684 447634165 /nfs/dbraw/zinc/63/41/65/447634165.db2.gz QIOVSUMAUWHBJJ-IUCAKERBSA-N -1 1 345.402 1.088 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000525701254 448013872 /nfs/dbraw/zinc/01/38/72/448013872.db2.gz IAGGKTZDJDASAP-GFCCVEGCSA-N -1 1 337.357 1.656 20 5 EDBDMM O=C([O-])C[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000532881591 448327134 /nfs/dbraw/zinc/32/71/34/448327134.db2.gz OAIDBOMLRZXPNG-GFCCVEGCSA-N -1 1 347.371 1.671 20 5 EDBDMM CCC(CC)(CCO)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533553210 448415751 /nfs/dbraw/zinc/41/57/51/448415751.db2.gz VNQYGNCIQCFEAW-UHFFFAOYSA-N -1 1 331.394 1.457 20 5 EDBDMM CC(C)(C)OC(=O)CCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000611365095 449273639 /nfs/dbraw/zinc/27/36/39/449273639.db2.gz GLLNMFYQCGCEAU-UHFFFAOYSA-N -1 1 339.348 1.937 20 5 EDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000600869591 449576942 /nfs/dbraw/zinc/57/69/42/449576942.db2.gz OGVAYBMIMSXXPR-LBPRGKRZSA-N -1 1 335.360 1.145 20 5 EDBDMM COc1cccc2c1CC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594759396 449673499 /nfs/dbraw/zinc/67/34/99/449673499.db2.gz KTHNYGMMJALQSC-GFCCVEGCSA-N -1 1 349.368 1.964 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](CO)CC1CC1 ZINC000594865896 449780300 /nfs/dbraw/zinc/78/03/00/449780300.db2.gz SXZLSSHVIPLDCB-JTQLQIEISA-N -1 1 348.808 1.935 20 5 EDBDMM CCOC(=O)c1nc(CNC(=O)c2cccc([N+](=O)[O-])c2C)n[n-]1 ZINC000615920383 450271461 /nfs/dbraw/zinc/27/14/61/450271461.db2.gz ZTJSMGAPFWSMHJ-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000615920383 450271464 /nfs/dbraw/zinc/27/14/64/450271464.db2.gz ZTJSMGAPFWSMHJ-UHFFFAOYSA-N -1 1 333.304 1.128 20 5 EDBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610776760 450332553 /nfs/dbraw/zinc/33/25/53/450332553.db2.gz RMABVXAZDQIMCT-GFCCVEGCSA-N -1 1 325.288 1.022 20 5 EDBDMM O=C([O-])N1CC[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000740502670 579354243 /nfs/dbraw/zinc/35/42/43/579354243.db2.gz GQNVVTHUPLDETD-CYBMUJFWSA-N -1 1 334.376 1.717 20 5 EDBDMM COC(=O)CCCCCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742273193 578328060 /nfs/dbraw/zinc/32/80/60/578328060.db2.gz WLNVVNSQMMLOOJ-UHFFFAOYSA-N -1 1 345.377 1.392 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000733320177 578759172 /nfs/dbraw/zinc/75/91/72/578759172.db2.gz FNZPQOYJFNBHAE-SECBINFHSA-N -1 1 346.258 1.590 20 5 EDBDMM C[C@@H](CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1)C(=O)[O-] ZINC000736580966 579002579 /nfs/dbraw/zinc/00/25/79/579002579.db2.gz GLBCADWUVGUDKU-NSHDSACASA-N -1 1 345.359 1.996 20 5 EDBDMM CN1CCN(C)[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000737526915 579104779 /nfs/dbraw/zinc/10/47/79/579104779.db2.gz ZGZCIXKAJZCAOD-RYWCDNDXSA-N -1 1 334.376 1.350 20 5 EDBDMM O=C([O-])N1CCC[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000739926798 579268804 /nfs/dbraw/zinc/26/88/04/579268804.db2.gz LOOCCRQERSFDCP-MRVPVSSYSA-N -1 1 347.324 1.155 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)[N-]N1Cc2ccccc2C1=O ZINC000757593769 579968622 /nfs/dbraw/zinc/96/86/22/579968622.db2.gz CCQZTWHUEMNCCB-UHFFFAOYSA-N -1 1 327.296 1.904 20 5 EDBDMM O=[N+]([O-])c1ccc[nH]c1=N[N-]S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761966252 580064476 /nfs/dbraw/zinc/06/44/76/580064476.db2.gz WMCLBBRPUVMMLO-UHFFFAOYSA-N -1 1 347.715 1.483 20 5 EDBDMM Cc1cnc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c([O-])c1 ZINC000763284556 580096908 /nfs/dbraw/zinc/09/69/08/580096908.db2.gz RPRDIOHAYJVBNY-UHFFFAOYSA-N -1 1 342.355 1.966 20 5 EDBDMM O=C([N-]N1CN=NC1=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000782126070 580566825 /nfs/dbraw/zinc/56/68/25/580566825.db2.gz RMLZHPRECHCLBY-UHFFFAOYSA-N -1 1 328.082 1.038 20 5 EDBDMM COc1c(C(=O)[N-]N2CCc3ccccc3C2=O)cccc1[N+](=O)[O-] ZINC000793786781 580856102 /nfs/dbraw/zinc/85/61/02/580856102.db2.gz QTVVPKGIEJPSQS-UHFFFAOYSA-N -1 1 341.323 1.947 20 5 EDBDMM COc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])cc1 ZINC000795284269 580917653 /nfs/dbraw/zinc/91/76/53/580917653.db2.gz MMWHJDSMCQPPNX-QWHCGFSZSA-N -1 1 349.368 1.833 20 5 EDBDMM O=C1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCN1 ZINC000841562651 593192208 /nfs/dbraw/zinc/19/22/08/593192208.db2.gz GCHXRIPURZUOKV-VIFPVBQESA-N -1 1 347.780 1.195 20 5 EDBDMM CC[C@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815024552 593610233 /nfs/dbraw/zinc/61/02/33/593610233.db2.gz GIDPUWABFJAXFH-ZETCQYMHSA-N -1 1 340.760 1.827 20 5 EDBDMM CC(C)c1nncn1CCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820211483 593799251 /nfs/dbraw/zinc/79/92/51/593799251.db2.gz OPXIQHIAIWLUSQ-UHFFFAOYSA-N -1 1 343.351 1.602 20 5 EDBDMM COc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821897681 593962693 /nfs/dbraw/zinc/96/26/93/593962693.db2.gz JVALPQYLMVKLKO-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM COc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821897681 593962695 /nfs/dbraw/zinc/96/26/95/593962695.db2.gz JVALPQYLMVKLKO-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM Cc1cc(C)n(CCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822199034 594007429 /nfs/dbraw/zinc/00/74/29/594007429.db2.gz TURLFYWDZXHWHP-UHFFFAOYSA-N -1 1 343.351 1.485 20 5 EDBDMM Cc1cc(C)n(CCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822199034 594007431 /nfs/dbraw/zinc/00/74/31/594007431.db2.gz TURLFYWDZXHWHP-UHFFFAOYSA-N -1 1 343.351 1.485 20 5 EDBDMM Cc1nc2n(c1C)CCN(c1nccc(-c3nnn[n-]3)c1[N+](=O)[O-])C2 ZINC000822463753 594052704 /nfs/dbraw/zinc/05/27/04/594052704.db2.gz WCVWMBBNWQYRBM-UHFFFAOYSA-N -1 1 341.335 1.003 20 5 EDBDMM Cc1nc2n(c1C)CCN(c1nccc(-c3nn[n-]n3)c1[N+](=O)[O-])C2 ZINC000822463753 594052707 /nfs/dbraw/zinc/05/27/07/594052707.db2.gz WCVWMBBNWQYRBM-UHFFFAOYSA-N -1 1 341.335 1.003 20 5 EDBDMM Cc1noc(C)c1C[C@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822522997 594061987 /nfs/dbraw/zinc/06/19/87/594061987.db2.gz NKVHKKIEKNEIMZ-ZETCQYMHSA-N -1 1 344.335 1.818 20 5 EDBDMM Cc1noc(C)c1C[C@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822522997 594061989 /nfs/dbraw/zinc/06/19/89/594061989.db2.gz NKVHKKIEKNEIMZ-ZETCQYMHSA-N -1 1 344.335 1.818 20 5 EDBDMM Cc1sc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822554379 594066462 /nfs/dbraw/zinc/06/64/62/594066462.db2.gz ZMSGWQRNILCHMD-UHFFFAOYSA-N -1 1 346.328 1.897 20 5 EDBDMM Cc1sc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822554379 594066464 /nfs/dbraw/zinc/06/64/64/594066464.db2.gz ZMSGWQRNILCHMD-UHFFFAOYSA-N -1 1 346.328 1.897 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1cccc(F)c1 ZINC000823625587 594222669 /nfs/dbraw/zinc/22/26/69/594222669.db2.gz YMPVFDCHCUYPCD-UHFFFAOYSA-N -1 1 329.295 1.964 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1cccc(F)c1 ZINC000823625587 594222670 /nfs/dbraw/zinc/22/26/70/594222670.db2.gz YMPVFDCHCUYPCD-UHFFFAOYSA-N -1 1 329.295 1.964 20 5 EDBDMM C[C@H](CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000827449205 594673233 /nfs/dbraw/zinc/67/32/33/594673233.db2.gz IXSUHFNRWYGABR-LLVKDONJSA-N -1 1 335.360 1.743 20 5 EDBDMM Cc1cc(C[C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000832884021 594782906 /nfs/dbraw/zinc/78/29/06/594782906.db2.gz SLMFJMYKMIGLSF-QMMMGPOBSA-N -1 1 332.316 1.686 20 5 EDBDMM Cc1cc(N2CCN(CCCCO)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891516 594783421 /nfs/dbraw/zinc/78/34/21/594783421.db2.gz WLNKJYZLFKFANR-UHFFFAOYSA-N -1 1 337.376 1.496 20 5 EDBDMM O=C([O-])[C@]1(F)CCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000833100393 594797591 /nfs/dbraw/zinc/79/75/91/594797591.db2.gz UVNXQYOQCDJOAR-AWEZNQCLSA-N -1 1 325.296 1.422 20 5 EDBDMM Cc1nn(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC000833921017 594965958 /nfs/dbraw/zinc/96/59/58/594965958.db2.gz PZQLGKREJCGCCD-RWMBFGLXSA-N -1 1 337.380 1.734 20 5 EDBDMM O=C([O-])N[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000834145422 595027723 /nfs/dbraw/zinc/02/77/23/595027723.db2.gz GBVGGIXWBBLXCJ-NSHDSACASA-N -1 1 333.304 1.247 20 5 EDBDMM C[C@@H](CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)C(=O)[O-] ZINC000846768659 595314307 /nfs/dbraw/zinc/31/43/07/595314307.db2.gz BOZJOKHSUIXEPM-YFKPBYRVSA-N -1 1 340.716 1.386 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CCCOC2)cc1F ZINC000866562746 596252782 /nfs/dbraw/zinc/25/27/82/596252782.db2.gz FFNNYYYNKFFSAN-JTQLQIEISA-N -1 1 332.353 1.747 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)cc1F ZINC000867565517 596433927 /nfs/dbraw/zinc/43/39/27/596433927.db2.gz VREFQUHXULPUQR-MFKMUULPSA-N -1 1 344.364 1.888 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)ccn1 ZINC000119406375 596558468 /nfs/dbraw/zinc/55/84/68/596558468.db2.gz GEZKLITTXXGZMB-UHFFFAOYSA-N -1 1 329.359 1.538 20 5 EDBDMM Cc1c([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]c1C1CC1 ZINC000863436062 596583641 /nfs/dbraw/zinc/58/36/41/596583641.db2.gz LZYGAKADUGUSJL-UHFFFAOYSA-N -1 1 326.338 1.038 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)s1 ZINC000872559504 596964616 /nfs/dbraw/zinc/96/46/16/596964616.db2.gz XROXVYPAZUURRD-GUBZILKMSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C(N[C@H]1CCN(c2ccc(F)cc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412930016 304043808 /nfs/dbraw/zinc/04/38/08/304043808.db2.gz ATZOCQXBKACPAZ-NSHDSACASA-N -1 1 346.318 1.843 20 5 EDBDMM O=C(NCc1ccccc1-n1ccnc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000097676691 138297087 /nfs/dbraw/zinc/29/70/87/138297087.db2.gz QDJFCLKNNDCVQM-UHFFFAOYSA-N -1 1 339.311 1.399 20 5 EDBDMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000186877112 236051145 /nfs/dbraw/zinc/05/11/45/236051145.db2.gz QSAPXLOOBHZJQX-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM COCCOCCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299089241 201355162 /nfs/dbraw/zinc/35/51/62/201355162.db2.gz ZAPHRDFIAFMCRA-UHFFFAOYSA-N -1 1 336.341 1.065 20 5 EDBDMM O=C([O-])[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000262774393 139302644 /nfs/dbraw/zinc/30/26/44/139302644.db2.gz LQOQNPBNUALCIB-PELKAZGASA-N -1 1 348.315 1.081 20 5 EDBDMM CCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000353414763 149396173 /nfs/dbraw/zinc/39/61/73/149396173.db2.gz LABBHCJLKYMRCQ-JTQLQIEISA-N -1 1 336.348 1.074 20 5 EDBDMM O=C(NC[C@@H]1CC(=O)Nc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000370139314 155345109 /nfs/dbraw/zinc/34/51/09/155345109.db2.gz WEEXMGNYQQSMKU-VIFPVBQESA-N -1 1 342.311 1.551 20 5 EDBDMM Cc1nc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c2n1CCCC2 ZINC000378315652 158138431 /nfs/dbraw/zinc/13/84/31/158138431.db2.gz PGGMNFXDAWISQM-UHFFFAOYSA-N -1 1 331.332 1.467 20 5 EDBDMM COc1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000274870221 268226962 /nfs/dbraw/zinc/22/69/62/268226962.db2.gz DOZXXIZICZKRBE-UHFFFAOYSA-N -1 1 347.327 1.985 20 5 EDBDMM C[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000277925890 273235742 /nfs/dbraw/zinc/23/57/42/273235742.db2.gz QHSOXBMOESYZQM-WPRPVWTQSA-N -1 1 334.781 1.952 20 5 EDBDMM CCOCc1nc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)no1 ZINC000291913901 289213866 /nfs/dbraw/zinc/21/38/66/289213866.db2.gz NWQPUTAGEHQWMR-ZETCQYMHSA-N -1 1 337.292 1.106 20 5 EDBDMM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293737163 303012030 /nfs/dbraw/zinc/01/20/30/303012030.db2.gz RYTJBIFLSHAWTI-ZDUSSCGKSA-N -1 1 331.328 1.371 20 5 EDBDMM CC(C)(CO)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295281958 303198822 /nfs/dbraw/zinc/19/88/22/303198822.db2.gz MTEKKDDHYBDHNX-UHFFFAOYSA-N -1 1 336.797 1.935 20 5 EDBDMM CN(CCCNC(=O)C1CCC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000430393456 305052413 /nfs/dbraw/zinc/05/24/13/305052413.db2.gz LZWWITDKAHJQCA-UHFFFAOYSA-N -1 1 336.348 1.074 20 5 EDBDMM O=C(C(=O)N1CCC(n2ccc([N+](=O)[O-])n2)CC1)c1ccc([O-])cc1 ZINC000436634347 305163111 /nfs/dbraw/zinc/16/31/11/305163111.db2.gz KEGKMZNEGDMPDU-UHFFFAOYSA-N -1 1 344.327 1.543 20 5 EDBDMM CCc1n[nH]c([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000438227889 305183579 /nfs/dbraw/zinc/18/35/79/305183579.db2.gz YXCQFGBIRJZTKP-UHFFFAOYSA-N -1 1 340.361 1.998 20 5 EDBDMM CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])o2)n[n-]c1=S ZINC000067073209 441603534 /nfs/dbraw/zinc/60/35/34/441603534.db2.gz NCJOQMIEXFOAIF-UHFFFAOYSA-N -1 1 325.350 1.995 20 5 EDBDMM Cc1nn(C)c(C)c1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000173982629 441872713 /nfs/dbraw/zinc/87/27/13/441872713.db2.gz PCKYIWCLFRFNIM-UHFFFAOYSA-N -1 1 342.352 1.563 20 5 EDBDMM O=C(NC[C@@]1(O)CCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000124749841 441949753 /nfs/dbraw/zinc/94/97/53/441949753.db2.gz YAILJLYBLGXMEW-INIZCTEOSA-N -1 1 329.312 1.259 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)ccc1[O-] ZINC000174770712 441966252 /nfs/dbraw/zinc/96/62/52/441966252.db2.gz XGDPXHHPMVSEAB-UHFFFAOYSA-N -1 1 338.345 1.708 20 5 EDBDMM CN(C)Cc1ccnc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000176420967 442220072 /nfs/dbraw/zinc/22/00/72/442220072.db2.gz UNJVZFNEKJHKTB-UHFFFAOYSA-N -1 1 336.373 1.852 20 5 EDBDMM CN(Cc1ncc(Cl)n1C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182108338 442736325 /nfs/dbraw/zinc/73/63/25/442736325.db2.gz RFCBKZUCAMZPIL-UHFFFAOYSA-N -1 1 325.712 1.355 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185886210 443276388 /nfs/dbraw/zinc/27/63/88/443276388.db2.gz BXSHLHBVFPULPZ-LLVKDONJSA-N -1 1 329.316 1.099 20 5 EDBDMM Cn1cc([C@H]2CSCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000276832569 443845213 /nfs/dbraw/zinc/84/52/13/443845213.db2.gz KYTWNHNXSCBGQN-GFCCVEGCSA-N -1 1 349.372 1.359 20 5 EDBDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000533120987 320683424 /nfs/dbraw/zinc/68/34/24/320683424.db2.gz SGNGWJWOLUJXPP-UHFFFAOYSA-N -1 1 340.313 1.453 20 5 EDBDMM O=c1nc(CCCNc2ccc(Br)cc2[N+](=O)[O-])[nH][n-]1 ZINC000301461386 444173486 /nfs/dbraw/zinc/17/34/86/444173486.db2.gz YSPRGFOADOXJTC-UHFFFAOYSA-N -1 1 342.153 1.813 20 5 EDBDMM CCn1nc(C)c([N+](=O)[O-])c1Oc1ccc([N-]S(C)(=O)=O)nc1 ZINC000340889878 444560161 /nfs/dbraw/zinc/56/01/61/444560161.db2.gz YWNFYNOSHNQYAD-UHFFFAOYSA-N -1 1 341.349 1.678 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(C)s2)c([N+](=O)[O-])n1 ZINC000339045452 445006213 /nfs/dbraw/zinc/00/62/13/445006213.db2.gz PGKGKSTUIPDXDL-QMMMGPOBSA-N -1 1 345.406 1.616 20 5 EDBDMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1cccc([N+](=O)[O-])c1 ZINC000343214194 445142774 /nfs/dbraw/zinc/14/27/74/445142774.db2.gz SPZYQSLIBNALKQ-JTQLQIEISA-N -1 1 344.327 1.303 20 5 EDBDMM CN(C)C(=O)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000330792505 445143568 /nfs/dbraw/zinc/14/35/68/445143568.db2.gz URPHTBKHFFYVPF-UHFFFAOYSA-N -1 1 336.348 1.026 20 5 EDBDMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000360032258 445537484 /nfs/dbraw/zinc/53/74/84/445537484.db2.gz UFXCKOHWKIIISE-UHFFFAOYSA-N -1 1 346.328 1.371 20 5 EDBDMM O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1[O-] ZINC000353779687 445751860 /nfs/dbraw/zinc/75/18/60/445751860.db2.gz OXOCJKFUCAKGQG-UHFFFAOYSA-N -1 1 333.275 1.808 20 5 EDBDMM O=C(NCc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359210723 446039446 /nfs/dbraw/zinc/03/94/46/446039446.db2.gz MBNIYFNCSLLIMI-UHFFFAOYSA-N -1 1 334.357 1.961 20 5 EDBDMM CC(C)OCCS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000362290119 446307250 /nfs/dbraw/zinc/30/72/50/446307250.db2.gz PFQFFPSLECVNGT-UHFFFAOYSA-N -1 1 332.334 1.460 20 5 EDBDMM O=C(NCCc1cn2c(n1)CCCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000368742439 447079425 /nfs/dbraw/zinc/07/94/25/447079425.db2.gz KJWBGZWGKMDVFM-UHFFFAOYSA-N -1 1 331.332 1.201 20 5 EDBDMM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000368826312 447137953 /nfs/dbraw/zinc/13/79/53/447137953.db2.gz VASWBLAWXLARON-CYBMUJFWSA-N -1 1 339.311 1.938 20 5 EDBDMM O=C(N[C@H]1CCOC2(CCOCC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444969694 447151330 /nfs/dbraw/zinc/15/13/30/447151330.db2.gz SRJPZVIDIMLBLL-NSHDSACASA-N -1 1 337.332 1.153 20 5 EDBDMM CN(CC(=O)NCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445023951 447158115 /nfs/dbraw/zinc/15/81/15/447158115.db2.gz UGGPKQOWAAFWOV-UHFFFAOYSA-N -1 1 344.327 1.084 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2CCC(COC)CC2)c([N+](=O)[O-])n1 ZINC000416595180 447657672 /nfs/dbraw/zinc/65/76/72/447657672.db2.gz PZKQQJCKGVBQNX-UHFFFAOYSA-N -1 1 346.409 1.295 20 5 EDBDMM CC(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000431233884 447793894 /nfs/dbraw/zinc/79/38/94/447793894.db2.gz CDDLKICIXKKCLV-BXKDBHETSA-N -1 1 334.419 1.996 20 5 EDBDMM O=C(NCCc1nc2ccccc2o1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000552107937 447935848 /nfs/dbraw/zinc/93/58/48/447935848.db2.gz YFBLASDGWKVQPH-UHFFFAOYSA-N -1 1 328.284 1.809 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000533178305 448369171 /nfs/dbraw/zinc/36/91/71/448369171.db2.gz DRDFIWJLTCYLNN-CMPLNLGQSA-N -1 1 349.368 1.833 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)F)c([N+](=O)[O-])n1 ZINC000592067132 448658414 /nfs/dbraw/zinc/65/84/14/448658414.db2.gz NTVROXPYBSYHAO-SSDOTTSWSA-N -1 1 326.325 1.381 20 5 EDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000588901100 448947320 /nfs/dbraw/zinc/94/73/20/448947320.db2.gz FOIOUTISUJUHPY-ZCFIWIBFSA-N -1 1 328.268 1.833 20 5 EDBDMM Cn1ncc2c1CC(C)(C)CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000596009849 449312438 /nfs/dbraw/zinc/31/24/38/449312438.db2.gz UJPCGKCDADCJRX-UHFFFAOYSA-N -1 1 345.359 1.654 20 5 EDBDMM Cn1ncc(C(F)(F)F)c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600832213 449570110 /nfs/dbraw/zinc/57/01/10/449570110.db2.gz RHINBPVJOBPSSA-UHFFFAOYSA-N -1 1 345.237 1.378 20 5 EDBDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000600868707 449577388 /nfs/dbraw/zinc/57/73/88/449577388.db2.gz JBNSRPAJTZYODP-GFCCVEGCSA-N -1 1 335.360 1.524 20 5 EDBDMM C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598764256 449589717 /nfs/dbraw/zinc/58/97/17/449589717.db2.gz OSZOAWUKNBVPGF-SHXMHXCASA-N -1 1 327.362 1.115 20 5 EDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000612674659 449827922 /nfs/dbraw/zinc/82/79/22/449827922.db2.gz HQIYTRMXFLTBTK-GFCCVEGCSA-N -1 1 344.389 1.602 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])ccc1Cl ZINC000599278047 449853536 /nfs/dbraw/zinc/85/35/36/449853536.db2.gz VSFMGQRGDUFJHU-UHFFFAOYSA-N -1 1 344.780 1.769 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000609112487 449960678 /nfs/dbraw/zinc/96/06/78/449960678.db2.gz BKWHFEVDKZYNAA-AWEZNQCLSA-N -1 1 349.387 1.627 20 5 EDBDMM COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000609316616 450005077 /nfs/dbraw/zinc/00/50/77/450005077.db2.gz UBLQFCSCIYRVOR-UHFFFAOYSA-N -1 1 343.295 1.638 20 5 EDBDMM O=C(NCc1nn[n-]n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609532816 450044029 /nfs/dbraw/zinc/04/40/29/450044029.db2.gz QZXGEBPYTKMETO-UHFFFAOYSA-N -1 1 331.317 1.161 20 5 EDBDMM CNc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cccc1[N+](=O)[O-] ZINC000613235917 450095365 /nfs/dbraw/zinc/09/53/65/450095365.db2.gz SWLMBPFLIVSBDP-SECBINFHSA-N -1 1 331.336 1.169 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000187317719 527526156 /nfs/dbraw/zinc/52/61/56/527526156.db2.gz OHUTWERWXXLYCH-UQSGXBNBSA-N -1 1 330.348 1.773 20 5 EDBDMM NC(=O)[C@@H](Cc1ccc(F)cc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750813788 579782327 /nfs/dbraw/zinc/78/23/27/579782327.db2.gz QDPUINRJOCGJMU-CQSZACIVSA-N -1 1 348.286 1.693 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccco2)c([N+](=O)[O-])n1 ZINC000754792856 579912323 /nfs/dbraw/zinc/91/23/23/579912323.db2.gz RWTLLMYKCFMJCA-SECBINFHSA-N -1 1 328.350 1.314 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](SC)C2)c([N+](=O)[O-])n1 ZINC000754817953 579913443 /nfs/dbraw/zinc/91/34/43/579913443.db2.gz ZKAPNBRLLHSORY-RKDXNWHRSA-N -1 1 334.423 1.374 20 5 EDBDMM Cn1[n-]c(COC(=O)C(C)(C)c2ccc([N+](=O)[O-])cc2F)nc1=O ZINC000765507867 580144371 /nfs/dbraw/zinc/14/43/71/580144371.db2.gz KUAYJCFBMXXSKH-UHFFFAOYSA-N -1 1 338.295 1.177 20 5 EDBDMM Cc1cccc([C@H](O)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000767852503 580202186 /nfs/dbraw/zinc/20/21/86/580202186.db2.gz SLHVPJMVKKBOJX-GFCCVEGCSA-N -1 1 337.357 1.310 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000770276798 580257131 /nfs/dbraw/zinc/25/71/31/580257131.db2.gz RONBWCXKBICAQK-SNVBAGLBSA-N -1 1 346.361 1.807 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C2CCOCC2)cc1Cl ZINC000798226926 580991412 /nfs/dbraw/zinc/99/14/12/580991412.db2.gz YPOGREMPKBONDI-UHFFFAOYSA-N -1 1 338.744 1.845 20 5 EDBDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000800052191 581041401 /nfs/dbraw/zinc/04/14/01/581041401.db2.gz KIVRGSSSRVWHOC-UHFFFAOYSA-N -1 1 340.336 1.986 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCOC2)cc1F ZINC000866875194 590978538 /nfs/dbraw/zinc/97/85/38/590978538.db2.gz VDVXSTNDUHTDDC-UWVGGRQHSA-N -1 1 332.353 1.746 20 5 EDBDMM CC(C)Oc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)ccc1[N+](=O)[O-] ZINC000840647508 591065316 /nfs/dbraw/zinc/06/53/16/591065316.db2.gz CMHXMUBXABMOGF-UHFFFAOYSA-N -1 1 336.304 1.161 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)NCCc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000806490837 593451959 /nfs/dbraw/zinc/45/19/59/593451959.db2.gz OHMOCZDQEDEPFY-UHFFFAOYSA-N -1 1 340.343 1.614 20 5 EDBDMM Cn1[n-]c(COC(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])nc1=O ZINC000811373467 593469305 /nfs/dbraw/zinc/46/93/05/593469305.db2.gz FNUCXDQGHHRDNH-UHFFFAOYSA-N -1 1 347.114 1.680 20 5 EDBDMM COC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000821670341 593905231 /nfs/dbraw/zinc/90/52/31/593905231.db2.gz ZDEVORAGIFNMLV-UHFFFAOYSA-N -1 1 342.271 1.749 20 5 EDBDMM COC(=O)c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000821670341 593905232 /nfs/dbraw/zinc/90/52/32/593905232.db2.gz ZDEVORAGIFNMLV-UHFFFAOYSA-N -1 1 342.271 1.749 20 5 EDBDMM CCCc1[nH]nc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)c1[N+](=O)[O-] ZINC000821138557 593975373 /nfs/dbraw/zinc/97/53/73/593975373.db2.gz BDSBFCZZAXNGJK-UHFFFAOYSA-N -1 1 349.336 1.159 20 5 EDBDMM CCCc1[nH]nc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)c1[N+](=O)[O-] ZINC000821138557 593975375 /nfs/dbraw/zinc/97/53/75/593975375.db2.gz BDSBFCZZAXNGJK-UHFFFAOYSA-N -1 1 349.336 1.159 20 5 EDBDMM C[C@H](CCO)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCC1 ZINC000824407252 594004225 /nfs/dbraw/zinc/00/42/25/594004225.db2.gz WAQXQASZXAPELP-SNVBAGLBSA-N -1 1 347.379 1.771 20 5 EDBDMM C[C@H](CCO)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCC1 ZINC000824407252 594004227 /nfs/dbraw/zinc/00/42/27/594004227.db2.gz WAQXQASZXAPELP-SNVBAGLBSA-N -1 1 347.379 1.771 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000822213118 594012011 /nfs/dbraw/zinc/01/20/11/594012011.db2.gz VQGCVIJSRANABN-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000822213118 594012012 /nfs/dbraw/zinc/01/20/12/594012012.db2.gz VQGCVIJSRANABN-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM Cc1cccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000822304107 594028071 /nfs/dbraw/zinc/02/80/71/594028071.db2.gz PZJTYPZKOIFIRV-UHFFFAOYSA-N -1 1 326.320 1.510 20 5 EDBDMM Cc1cccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000822304107 594028073 /nfs/dbraw/zinc/02/80/73/594028073.db2.gz PZJTYPZKOIFIRV-UHFFFAOYSA-N -1 1 326.320 1.510 20 5 EDBDMM O=C(Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823115011 594155453 /nfs/dbraw/zinc/15/54/53/594155453.db2.gz HQXDBYAOWMCAOK-UHFFFAOYSA-N -1 1 340.299 1.662 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1ccccn1 ZINC000823625464 594222647 /nfs/dbraw/zinc/22/26/47/594222647.db2.gz WGOQYMPWTMJOMR-UHFFFAOYSA-N -1 1 326.320 1.610 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1ccccn1 ZINC000823625464 594222648 /nfs/dbraw/zinc/22/26/48/594222648.db2.gz WGOQYMPWTMJOMR-UHFFFAOYSA-N -1 1 326.320 1.610 20 5 EDBDMM O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826499116 594502767 /nfs/dbraw/zinc/50/27/67/594502767.db2.gz WMHQPAWHVDEMDS-CYBMUJFWSA-N -1 1 340.343 1.790 20 5 EDBDMM O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826499116 594502769 /nfs/dbraw/zinc/50/27/69/594502769.db2.gz WMHQPAWHVDEMDS-CYBMUJFWSA-N -1 1 340.343 1.790 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](C)O ZINC000832309204 594741796 /nfs/dbraw/zinc/74/17/96/594741796.db2.gz GBELKIALMDMXDS-IMTBSYHQSA-N -1 1 340.760 1.825 20 5 EDBDMM Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)cc1[N+](=O)[O-] ZINC000832955895 594787233 /nfs/dbraw/zinc/78/72/33/594787233.db2.gz UDPVHPFDBIWQPO-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)cc1F ZINC000867092350 594845822 /nfs/dbraw/zinc/84/58/22/594845822.db2.gz JXLIBHWAPKBYCD-NOZJJQNGSA-N -1 1 332.353 1.888 20 5 EDBDMM COc1cc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000842346763 595081125 /nfs/dbraw/zinc/08/11/25/595081125.db2.gz XWRDGHAIYGGKPH-VXNVDRBHSA-N -1 1 348.764 1.127 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC2(C)C)cc1F ZINC000867330867 595163676 /nfs/dbraw/zinc/16/36/76/595163676.db2.gz LJEVHPLZGMAVSX-GFCCVEGCSA-N -1 1 332.353 1.888 20 5 EDBDMM C[C@@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)C(=O)NCCF ZINC000848591669 595412046 /nfs/dbraw/zinc/41/20/46/595412046.db2.gz UBUHJMJIWROHSW-MRVPVSSYSA-N -1 1 349.265 1.157 20 5 EDBDMM O=C([N-][C@H](CO)CC(F)F)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848592601 595412619 /nfs/dbraw/zinc/41/26/19/595412619.db2.gz LRXGEDWWEONJIX-ZETCQYMHSA-N -1 1 340.229 1.699 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CCCOC1 ZINC000859251261 596017550 /nfs/dbraw/zinc/01/75/50/596017550.db2.gz BXFRMIVJOUPEDR-JTQLQIEISA-N -1 1 332.353 1.829 20 5 EDBDMM O=C([O-])[C@]12COC[C@H]1CN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000852733718 596234893 /nfs/dbraw/zinc/23/48/93/596234893.db2.gz XGKYWXCTWNUAJB-QMTHXVAHSA-N -1 1 326.736 1.781 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@]23C[C@H]2COC3(C)C)cc1F ZINC000867558382 596430012 /nfs/dbraw/zinc/43/00/12/596430012.db2.gz YFVVJBFHAXMTIM-LKFCYVNXSA-N -1 1 344.364 1.888 20 5 EDBDMM Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000373945389 282172621 /nfs/dbraw/zinc/17/26/21/282172621.db2.gz NSTDXBFQYLRXAA-JTQLQIEISA-N -1 1 329.316 1.081 20 5 EDBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])OCC1CC1 ZINC000563523436 306337071 /nfs/dbraw/zinc/33/70/71/306337071.db2.gz VZWIAGBFCZNXKC-UHFFFAOYSA-N -1 1 329.378 1.473 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000080789605 138264928 /nfs/dbraw/zinc/26/49/28/138264928.db2.gz HPVWYXIWHPAZGG-GFCCVEGCSA-N -1 1 326.330 1.854 20 5 EDBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[C@@H](c2nc[nH]n2)C1 ZINC000565836860 306393132 /nfs/dbraw/zinc/39/31/32/306393132.db2.gz XWKDXDXBDCJVFY-SSDOTTSWSA-N -1 1 337.723 1.702 20 5 EDBDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263141491 304157602 /nfs/dbraw/zinc/15/76/02/304157602.db2.gz YKWJWACXLZAJIY-PWZJLYFZSA-N -1 1 344.327 1.796 20 5 EDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263336673 139336741 /nfs/dbraw/zinc/33/67/41/139336741.db2.gz MOWQZFHAGVFHLZ-UTUOFQBUSA-N -1 1 335.360 1.964 20 5 EDBDMM CCN1CCN([C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)C2)CC1 ZINC000106921013 285333840 /nfs/dbraw/zinc/33/38/40/285333840.db2.gz HUWBNBNNKUGEAY-CQSZACIVSA-N -1 1 348.403 1.152 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000353003843 149248463 /nfs/dbraw/zinc/24/84/63/149248463.db2.gz KCXLJBRKVYLBDO-RXMQYKEDSA-N -1 1 334.404 1.856 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000353426368 149401058 /nfs/dbraw/zinc/40/10/58/149401058.db2.gz LYXRPULCMQCCTP-UHFFFAOYSA-N -1 1 342.373 1.500 20 5 EDBDMM Cn1nc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000361399184 152382894 /nfs/dbraw/zinc/38/28/94/152382894.db2.gz YYGSAUVLOVVMTA-UHFFFAOYSA-N -1 1 328.288 1.676 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(-c3cccnc3)n2)c1 ZINC000363800309 153060374 /nfs/dbraw/zinc/06/03/74/153060374.db2.gz RNOUXPBHEDXXDT-UHFFFAOYSA-N -1 1 340.299 1.831 20 5 EDBDMM O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364663403 153296973 /nfs/dbraw/zinc/29/69/73/153296973.db2.gz QGHBBSRUYZCUIS-NSHDSACASA-N -1 1 342.311 1.231 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000274922811 268239078 /nfs/dbraw/zinc/23/90/78/268239078.db2.gz NGSZVNAANNFLIR-GXSJLCMTSA-N -1 1 325.346 1.042 20 5 EDBDMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290707637 288940295 /nfs/dbraw/zinc/94/02/95/288940295.db2.gz JDSOZFXLRXGTKY-RQJHMYQMSA-N -1 1 340.760 1.683 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](CO)(c2ccccc2)C1 ZINC000291304423 289034823 /nfs/dbraw/zinc/03/48/23/289034823.db2.gz SQRKLYKEFGAMQZ-KRWDZBQOSA-N -1 1 343.339 1.472 20 5 EDBDMM NC(=O)c1n[nH]c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc21 ZINC000436988403 305171295 /nfs/dbraw/zinc/17/12/95/305171295.db2.gz PAGBCFTWQFIIOJ-UHFFFAOYSA-N -1 1 341.283 1.528 20 5 EDBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000438241036 305183667 /nfs/dbraw/zinc/18/36/67/305183667.db2.gz WEXDHMVWSUHWKG-UHFFFAOYSA-N -1 1 340.361 1.998 20 5 EDBDMM COc1cccc([C@@H]2C[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000456533217 305465849 /nfs/dbraw/zinc/46/58/49/305465849.db2.gz MAZRCINZLTXVJE-QWHCGFSZSA-N -1 1 329.312 1.990 20 5 EDBDMM COC(=O)c1cc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)oc1C ZINC000028814020 441437891 /nfs/dbraw/zinc/43/78/91/441437891.db2.gz GIMIKIBOHWEANA-UHFFFAOYSA-N -1 1 349.299 1.243 20 5 EDBDMM CCC[C@@H](NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[n-]n1 ZINC000136685901 441713988 /nfs/dbraw/zinc/71/39/88/441713988.db2.gz HCOQTIZZHJHTPC-GFCCVEGCSA-N -1 1 329.320 1.860 20 5 EDBDMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146549735 441897081 /nfs/dbraw/zinc/89/70/81/441897081.db2.gz ILFVPALQBQVVBR-SSDOTTSWSA-N -1 1 335.769 1.051 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC[C@H]1O ZINC000124830004 441957967 /nfs/dbraw/zinc/95/79/67/441957967.db2.gz FROFNPJSGXXDLA-OCCSQVGLSA-N -1 1 346.380 1.953 20 5 EDBDMM CC(C)(CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178829413 442496606 /nfs/dbraw/zinc/49/66/06/442496606.db2.gz YSPLYFZBUOQESO-UHFFFAOYSA-N -1 1 336.797 1.935 20 5 EDBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000187351166 442671452 /nfs/dbraw/zinc/67/14/52/442671452.db2.gz DVUWLENHGMTHRG-YPMHNXCESA-N -1 1 346.391 1.939 20 5 EDBDMM CSc1cccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c1[N+](=O)[O-] ZINC000189090167 442875433 /nfs/dbraw/zinc/87/54/33/442875433.db2.gz AIKRJXOPSGQANV-MRVPVSSYSA-N -1 1 336.377 1.706 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1O ZINC000185982131 443293804 /nfs/dbraw/zinc/29/38/04/443293804.db2.gz MJXCUPDEHIWTSF-MWLCHTKSSA-N -1 1 334.781 1.830 20 5 EDBDMM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000282449211 443342532 /nfs/dbraw/zinc/34/25/32/443342532.db2.gz HDRAHUDPPHLIKM-IONNQARKSA-N -1 1 347.780 1.194 20 5 EDBDMM COC[C@](C)([N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(=O)OC ZINC000272150676 443541076 /nfs/dbraw/zinc/54/10/76/443541076.db2.gz LXNMOLNETIDAQS-ZDUSSCGKSA-N -1 1 346.286 1.381 20 5 EDBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)C(=O)c1ccc([O-])cc1 ZINC000436865121 320026935 /nfs/dbraw/zinc/02/69/35/320026935.db2.gz QBBGZOLIZZTJIJ-UHFFFAOYSA-N -1 1 329.312 1.711 20 5 EDBDMM C[C@H]1CC(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000554928736 320960488 /nfs/dbraw/zinc/96/04/88/320960488.db2.gz LWCHGAHNCCBGKF-QWRGUYRKSA-N -1 1 343.405 1.862 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(CCCO)Cc1ccccc1 ZINC000278239107 444121765 /nfs/dbraw/zinc/12/17/65/444121765.db2.gz USSXWXLFZSMNJH-UHFFFAOYSA-N -1 1 331.328 1.720 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cncs2)c([N+](=O)[O-])n1 ZINC000338427329 444689343 /nfs/dbraw/zinc/68/93/43/444689343.db2.gz UCVFOYNUSQGZRP-SSDOTTSWSA-N -1 1 331.379 1.307 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000357077798 445412259 /nfs/dbraw/zinc/41/22/59/445412259.db2.gz XIPZAFIUDRLPKC-UHFFFAOYSA-N -1 1 342.237 1.546 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CC1)c1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000348809583 445394246 /nfs/dbraw/zinc/39/42/46/445394246.db2.gz KIUXZPHEHQDWHD-UHFFFAOYSA-N -1 1 342.237 1.546 20 5 EDBDMM Cc1[nH]nc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[N+](=O)[O-] ZINC000355829814 445498216 /nfs/dbraw/zinc/49/82/16/445498216.db2.gz MDGBNIRKLVNLGX-UHFFFAOYSA-N -1 1 328.288 1.974 20 5 EDBDMM O=C(NCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000356228491 445687495 /nfs/dbraw/zinc/68/74/95/445687495.db2.gz JYGNWTRBGRUYMG-UHFFFAOYSA-N -1 1 344.327 1.245 20 5 EDBDMM COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000361869046 446022919 /nfs/dbraw/zinc/02/29/19/446022919.db2.gz QRJGDWVBOQZKTR-UHFFFAOYSA-N -1 1 333.300 1.643 20 5 EDBDMM COc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc([N+](=O)[O-])c1C ZINC000359476755 446247325 /nfs/dbraw/zinc/24/73/25/446247325.db2.gz AUNPUWNHAQWLJQ-UHFFFAOYSA-N -1 1 346.347 1.624 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](c2ccncn2)C1 ZINC000374867919 446424905 /nfs/dbraw/zinc/42/49/05/446424905.db2.gz HJLJLHAHPYHXAZ-JTQLQIEISA-N -1 1 329.316 1.505 20 5 EDBDMM O=C(NC[C@H](CO)Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445019876 447156322 /nfs/dbraw/zinc/15/63/22/447156322.db2.gz MSVHUSJDKRWWCM-GFCCVEGCSA-N -1 1 331.328 1.276 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN[C@H](c2ccccc2)C1 ZINC000457037465 447504850 /nfs/dbraw/zinc/50/48/50/447504850.db2.gz XKVPOJSYNALORO-ZDUSSCGKSA-N -1 1 328.328 1.482 20 5 EDBDMM CCn1ccc(C[N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000416577781 447652381 /nfs/dbraw/zinc/65/23/81/447652381.db2.gz GDDAXTXMHAXCAY-UHFFFAOYSA-N -1 1 340.361 1.298 20 5 EDBDMM O=C(N[C@H]1CC(=O)N(C2CCCCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000488467718 447847342 /nfs/dbraw/zinc/84/73/42/447847342.db2.gz RHLLSSNZEDANSC-JTQLQIEISA-N -1 1 348.359 1.359 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1COc2ccccc2C1 ZINC000525699799 448013787 /nfs/dbraw/zinc/01/37/87/448013787.db2.gz SNUVOTYUIKPRPP-NSHDSACASA-N -1 1 335.341 1.272 20 5 EDBDMM CNc1nccc(C(=O)N2CCCc3cccc([O-])c32)c1[N+](=O)[O-] ZINC000571939501 448239711 /nfs/dbraw/zinc/23/97/11/448239711.db2.gz HMTMUGJJZBMZOH-UHFFFAOYSA-N -1 1 328.328 2.330 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC[C@H]1O ZINC000533553363 448415758 /nfs/dbraw/zinc/41/57/58/448415758.db2.gz ARXUPZRSEGHPOU-YPMHNXCESA-N -1 1 329.378 1.209 20 5 EDBDMM C[C@H]1CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000518381607 448671363 /nfs/dbraw/zinc/67/13/63/448671363.db2.gz XFADPPVCSBVTJF-NSHDSACASA-N -1 1 337.376 1.574 20 5 EDBDMM Cc1cc(N2C[C@@H](C)N(CCO)[C@@H](C)C2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000568753021 448914492 /nfs/dbraw/zinc/91/44/92/448914492.db2.gz XGBRGCUEHRQMPI-TXEJJXNPSA-N -1 1 337.376 1.493 20 5 EDBDMM CO[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(F)(F)F ZINC000593580838 449088600 /nfs/dbraw/zinc/08/86/00/449088600.db2.gz DDHHNZBXOJRXHO-MRVPVSSYSA-N -1 1 343.283 1.236 20 5 EDBDMM O=C(Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000604088560 449178494 /nfs/dbraw/zinc/17/84/94/449178494.db2.gz YHQTYMXIHWBMJV-UHFFFAOYSA-N -1 1 343.299 1.227 20 5 EDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594388987 449487302 /nfs/dbraw/zinc/48/73/02/449487302.db2.gz FWXXPEKVDOCHAZ-MRVPVSSYSA-N -1 1 325.321 1.403 20 5 EDBDMM Cc1cc(C2(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CCOCC2)on1 ZINC000600777179 449543176 /nfs/dbraw/zinc/54/31/76/449543176.db2.gz UJERUQXTXCVFDL-UHFFFAOYSA-N -1 1 348.315 1.428 20 5 EDBDMM C[C@@H]1CN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC[C@H]1C(=O)[O-] ZINC000600697893 449500140 /nfs/dbraw/zinc/50/01/40/449500140.db2.gz BNPRCLYMZIMACE-KCPJHIHWSA-N -1 1 347.371 1.743 20 5 EDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600704197 449504185 /nfs/dbraw/zinc/50/41/85/449504185.db2.gz UIUIRZDVAIMCSE-SUNKGSAMSA-N -1 1 335.360 1.964 20 5 EDBDMM O=C([O-])[C@H](CCF)NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000594573980 449579061 /nfs/dbraw/zinc/57/90/61/449579061.db2.gz SDXOLGGQCXXGNG-ZETCQYMHSA-N -1 1 340.716 1.339 20 5 EDBDMM O=C([O-])[C@@]1(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCOC1 ZINC000600877236 449582552 /nfs/dbraw/zinc/58/25/52/449582552.db2.gz IWRAGYQQMKIXTK-OAHLLOKOSA-N -1 1 348.315 1.082 20 5 EDBDMM CCC[N@@H+]1CCC[C@H]1C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594778433 449691073 /nfs/dbraw/zinc/69/10/73/449691073.db2.gz POYFJNCMCLEBNB-NSHDSACASA-N -1 1 328.394 1.143 20 5 EDBDMM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC2 ZINC000599232849 449818560 /nfs/dbraw/zinc/81/85/60/449818560.db2.gz NUAPQCYVBGRBQI-LBPRGKRZSA-N -1 1 336.373 1.603 20 5 EDBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000618377288 450184561 /nfs/dbraw/zinc/18/45/61/450184561.db2.gz GEFKOSJIPAIHTL-LBPRGKRZSA-N -1 1 336.348 1.072 20 5 EDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]CC(F)(F)C(F)F ZINC000619507832 450495702 /nfs/dbraw/zinc/49/57/02/450495702.db2.gz ZJRWPNGGCDHASK-UHFFFAOYSA-N -1 1 346.258 1.782 20 5 EDBDMM CC(C)c1nnc(Sc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n1C ZINC000735952380 578942325 /nfs/dbraw/zinc/94/23/25/578942325.db2.gz FEDIWWQDPDFHEN-UHFFFAOYSA-N -1 1 347.364 1.573 20 5 EDBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738110432 579160817 /nfs/dbraw/zinc/16/08/17/579160817.db2.gz BNBVZMMCYNVDRL-UHFFFAOYSA-N -1 1 325.288 1.100 20 5 EDBDMM O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738110432 579160818 /nfs/dbraw/zinc/16/08/18/579160818.db2.gz BNBVZMMCYNVDRL-UHFFFAOYSA-N -1 1 325.288 1.100 20 5 EDBDMM Cc1n[nH]c(C(=O)N2CCC([C@H](C)NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740029267 579282282 /nfs/dbraw/zinc/28/22/82/579282282.db2.gz BIVQKDVDLQWXJW-ZETCQYMHSA-N -1 1 325.325 1.135 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](O)c1cccc(F)c1 ZINC000777534504 580443734 /nfs/dbraw/zinc/44/37/34/580443734.db2.gz PPHSZQNJKXWUSH-ISVAXAHUSA-N -1 1 335.291 1.686 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000755595027 579930449 /nfs/dbraw/zinc/93/04/49/579930449.db2.gz VJLYQFJPVTUYTI-STRFDMGBSA-N -1 1 342.359 1.917 20 5 EDBDMM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768833742 580221706 /nfs/dbraw/zinc/22/17/06/580221706.db2.gz JJLGKVIKAVDIQE-MRVPVSSYSA-N -1 1 330.391 1.738 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000772057806 580302192 /nfs/dbraw/zinc/30/21/92/580302192.db2.gz MPVHODUCIGNDFS-UHFFFAOYSA-N -1 1 333.300 1.636 20 5 EDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1ccc(O)cc1 ZINC000780066613 580510788 /nfs/dbraw/zinc/51/07/88/580510788.db2.gz AGKSMKLCBAEAQP-UHFFFAOYSA-N -1 1 332.268 1.802 20 5 EDBDMM COC(=O)c1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)[n-]1 ZINC000796365969 580952212 /nfs/dbraw/zinc/95/22/12/580952212.db2.gz OMEGOZYSOCCFNK-UHFFFAOYSA-N -1 1 347.283 1.505 20 5 EDBDMM CCOC(=O)C(C)(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000798637252 581003750 /nfs/dbraw/zinc/00/37/50/581003750.db2.gz UBUNLXLMKRWMTD-UHFFFAOYSA-N -1 1 339.300 1.616 20 5 EDBDMM COc1ccccc1CN(OC)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000812366415 593499872 /nfs/dbraw/zinc/49/98/72/593499872.db2.gz LHMKNSCNIQKVKN-UHFFFAOYSA-N -1 1 333.300 1.908 20 5 EDBDMM CC(C)CO[C@@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820102539 593791360 /nfs/dbraw/zinc/79/13/60/593791360.db2.gz APEHCMYFIWRJAM-SNVBAGLBSA-N -1 1 333.352 1.421 20 5 EDBDMM CC(C)CO[C@@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820102539 593791361 /nfs/dbraw/zinc/79/13/61/593791361.db2.gz APEHCMYFIWRJAM-SNVBAGLBSA-N -1 1 333.352 1.421 20 5 EDBDMM C[C@H](Cc1ccncc1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820306789 593808445 /nfs/dbraw/zinc/80/84/45/593808445.db2.gz FNAMQNHYSLYKCM-SECBINFHSA-N -1 1 326.320 1.608 20 5 EDBDMM C[C@H](Cc1ccncc1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820306789 593808446 /nfs/dbraw/zinc/80/84/46/593808446.db2.gz FNAMQNHYSLYKCM-SECBINFHSA-N -1 1 326.320 1.608 20 5 EDBDMM CC(C)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccncc1 ZINC000824162659 593942128 /nfs/dbraw/zinc/94/21/28/593942128.db2.gz LLQCEKDOSUTURA-UHFFFAOYSA-N -1 1 340.347 1.955 20 5 EDBDMM CC(C)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccncc1 ZINC000824162659 593942129 /nfs/dbraw/zinc/94/21/29/593942129.db2.gz LLQCEKDOSUTURA-UHFFFAOYSA-N -1 1 340.347 1.955 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453734 594016213 /nfs/dbraw/zinc/01/62/13/594016213.db2.gz VAYABOFXHGGZHI-SECBINFHSA-N -1 1 339.352 1.561 20 5 EDBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823261989 594177433 /nfs/dbraw/zinc/17/74/33/594177433.db2.gz YQQVWOUNYQIWNC-UHFFFAOYSA-N -1 1 330.329 1.766 20 5 EDBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823261989 594177434 /nfs/dbraw/zinc/17/74/34/594177434.db2.gz YQQVWOUNYQIWNC-UHFFFAOYSA-N -1 1 330.329 1.766 20 5 EDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823435882 594201615 /nfs/dbraw/zinc/20/16/15/594201615.db2.gz CHDMDNHIUDRDEC-UHFFFAOYSA-N -1 1 326.272 1.527 20 5 EDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000823435882 594201617 /nfs/dbraw/zinc/20/16/17/594201617.db2.gz CHDMDNHIUDRDEC-UHFFFAOYSA-N -1 1 326.272 1.527 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC[C@@H]([C@H](C)NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000827551924 594231120 /nfs/dbraw/zinc/23/11/20/594231120.db2.gz RHFVBPQWPKZCBV-DTWKUNHWSA-N -1 1 339.352 1.389 20 5 EDBDMM O=Cc1ccc(OCc2ccnc(-c3nnn[n-]3)c2)c([N+](=O)[O-])c1 ZINC000826484081 594497495 /nfs/dbraw/zinc/49/74/95/594497495.db2.gz MXTQSXKZOLLUOS-UHFFFAOYSA-N -1 1 326.272 1.561 20 5 EDBDMM O=Cc1ccc(OCc2ccnc(-c3nn[n-]n3)c2)c([N+](=O)[O-])c1 ZINC000826484081 594497498 /nfs/dbraw/zinc/49/74/98/594497498.db2.gz MXTQSXKZOLLUOS-UHFFFAOYSA-N -1 1 326.272 1.561 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1nccnc1-c1nnn[n-]1 ZINC000826497435 594501887 /nfs/dbraw/zinc/50/18/87/594501887.db2.gz HHTOZRFAKICICD-UHFFFAOYSA-N -1 1 346.738 1.873 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1CCNc1nccnc1-c1nn[n-]n1 ZINC000826497435 594501890 /nfs/dbraw/zinc/50/18/90/594501890.db2.gz HHTOZRFAKICICD-UHFFFAOYSA-N -1 1 346.738 1.873 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Nc1cccc(CCCO)c1 ZINC000826497632 594502100 /nfs/dbraw/zinc/50/21/00/594502100.db2.gz NWYPARUOSPLCRS-UHFFFAOYSA-N -1 1 341.331 1.838 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Nc1cccc(CCCO)c1 ZINC000826497632 594502101 /nfs/dbraw/zinc/50/21/01/594502101.db2.gz NWYPARUOSPLCRS-UHFFFAOYSA-N -1 1 341.331 1.838 20 5 EDBDMM O=C([O-])C[C@H]1CCC[N@H+]1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833211085 594805148 /nfs/dbraw/zinc/80/51/48/594805148.db2.gz AWUQNFARLIUQOD-CYBMUJFWSA-N -1 1 331.332 1.750 20 5 EDBDMM O=C([O-])C[C@H]1CCCN1Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000833211085 594805149 /nfs/dbraw/zinc/80/51/49/594805149.db2.gz AWUQNFARLIUQOD-CYBMUJFWSA-N -1 1 331.332 1.750 20 5 EDBDMM O=C([O-])c1coc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000833340077 594830318 /nfs/dbraw/zinc/83/03/18/594830318.db2.gz RTLCTRLKVYIILE-LLVKDONJSA-N -1 1 332.316 1.967 20 5 EDBDMM CC[C@H](C)[C@H](NC(=O)CN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833637097 594894412 /nfs/dbraw/zinc/89/44/12/594894412.db2.gz BYZFXDODDUHPEW-PGUXBMHVSA-N -1 1 337.376 1.861 20 5 EDBDMM O=C(NCC[S@](=O)Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000116976202 596203203 /nfs/dbraw/zinc/20/32/03/596203203.db2.gz BSUSYWVYOKSAEB-XMMPIXPASA-N -1 1 349.368 1.374 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCOCC2)s1 ZINC000867782577 596547525 /nfs/dbraw/zinc/54/75/25/596547525.db2.gz RROMTQGZEWQWIJ-QWRGUYRKSA-N -1 1 346.430 1.997 20 5 EDBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccn(C)c2=O)c1F ZINC000126194120 597353023 /nfs/dbraw/zinc/35/30/23/597353023.db2.gz CCPASWFRKDRWTN-UHFFFAOYSA-N -1 1 341.320 1.542 20 5 EDBDMM Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000921205254 697531830 /nfs/dbraw/zinc/53/18/30/697531830.db2.gz AEGXMCNJJFFICC-UHFFFAOYSA-N -1 1 338.301 1.886 20 5 EDBDMM O=C([O-])CC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000262483028 139281453 /nfs/dbraw/zinc/28/14/53/139281453.db2.gz KTXKYRXCQOZIRB-UHFFFAOYSA-N -1 1 348.315 1.225 20 5 EDBDMM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263141489 139324642 /nfs/dbraw/zinc/32/46/42/139324642.db2.gz YKWJWACXLZAJIY-HNXYLICVSA-N -1 1 344.327 1.796 20 5 EDBDMM Cn1ccnc1-c1cc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])[nH]n1 ZINC000119439507 221320432 /nfs/dbraw/zinc/32/04/32/221320432.db2.gz FZYOVKQUQDEMRX-UHFFFAOYSA-N -1 1 328.288 1.676 20 5 EDBDMM CO[C@H]1C[C@@H](c2n[nH]c(C)n2)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000345491618 143097766 /nfs/dbraw/zinc/09/77/66/143097766.db2.gz PTCKKPXCUKNABH-STQMWFEESA-N -1 1 347.331 1.329 20 5 EDBDMM CO[C@@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000345539994 143103458 /nfs/dbraw/zinc/10/34/58/143103458.db2.gz LPJTVICFBCIBOK-ZYHUDNBSSA-N -1 1 347.331 1.329 20 5 EDBDMM O=C(N[C@H]1c2ccccc2CC[C@H]1CO)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000364646367 153293793 /nfs/dbraw/zinc/29/37/93/153293793.db2.gz CTPRIDXGHCUROO-XHDPSFHLSA-N -1 1 343.339 1.721 20 5 EDBDMM Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)cc1 ZINC000273481378 268049160 /nfs/dbraw/zinc/04/91/60/268049160.db2.gz LDIXSOPMNAMLJZ-UHFFFAOYSA-N -1 1 342.355 1.966 20 5 EDBDMM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274952512 268248246 /nfs/dbraw/zinc/24/82/46/268248246.db2.gz GMJBGRSPFVKEJT-SECBINFHSA-N -1 1 334.325 1.512 20 5 EDBDMM C[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277685767 273216858 /nfs/dbraw/zinc/21/68/58/273216858.db2.gz GZRPRWXJMBYHMG-WCBMZHEXSA-N -1 1 334.781 1.952 20 5 EDBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000155022306 287654134 /nfs/dbraw/zinc/65/41/34/287654134.db2.gz ZZPDKKUXFGUOEI-LLVKDONJSA-N -1 1 336.435 1.978 20 5 EDBDMM C[C@@H](CO)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000279502694 273303563 /nfs/dbraw/zinc/30/35/63/273303563.db2.gz QNQIVSKHFNUZBD-ZCFIWIBFSA-N -1 1 343.188 1.808 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(O)CCC1 ZINC000284611394 274263543 /nfs/dbraw/zinc/26/35/43/274263543.db2.gz JGTIGEDLELCZQE-UHFFFAOYSA-N -1 1 334.781 1.832 20 5 EDBDMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000287550932 288263813 /nfs/dbraw/zinc/26/38/13/288263813.db2.gz VPXAFAXWAPOBIO-QMMMGPOBSA-N -1 1 340.716 1.038 20 5 EDBDMM COCc1nc(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cs1 ZINC000290196679 288856608 /nfs/dbraw/zinc/85/66/08/288856608.db2.gz SRSJVAUITQPNKG-UHFFFAOYSA-N -1 1 343.386 1.676 20 5 EDBDMM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000025226886 441334723 /nfs/dbraw/zinc/33/47/23/441334723.db2.gz MSGDAATZSPGCBK-UHFFFAOYSA-N -1 1 345.311 1.327 20 5 EDBDMM COc1ccc(OC)c(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000026397759 441377178 /nfs/dbraw/zinc/37/71/78/441377178.db2.gz WRDHWCMVVXXJSB-UHFFFAOYSA-N -1 1 333.300 1.230 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000085650463 441448026 /nfs/dbraw/zinc/44/80/26/441448026.db2.gz ZZMYHKYIRFSFLX-UHFFFAOYSA-N -1 1 349.293 1.876 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C2CCCCC2)s1 ZINC000159572067 441820580 /nfs/dbraw/zinc/82/05/80/441820580.db2.gz ZFCFWMPLHXDAEG-JTQLQIEISA-N -1 1 334.419 1.876 20 5 EDBDMM O=C(NC[C@]1(O)CCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000124750031 441949522 /nfs/dbraw/zinc/94/95/22/441949522.db2.gz YAILJLYBLGXMEW-MRXNPFEDSA-N -1 1 329.312 1.259 20 5 EDBDMM Cn1cc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(C(F)(F)F)n1 ZINC000121036475 442168083 /nfs/dbraw/zinc/16/80/83/442168083.db2.gz MXQFJLPDPYJHSV-UHFFFAOYSA-N -1 1 345.237 1.378 20 5 EDBDMM CCOC(=O)Cn1cnc(-c2nc3cc4ccccc4cc3c(=O)[n-]2)n1 ZINC000133670894 442428798 /nfs/dbraw/zinc/42/87/98/442428798.db2.gz RUVBTCBWMYNVNW-UHFFFAOYSA-N -1 1 349.350 1.898 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2cccs2)C1 ZINC000134350666 442472247 /nfs/dbraw/zinc/47/22/47/442472247.db2.gz PHTKJANAPBNFLL-LLVKDONJSA-N -1 1 335.341 1.971 20 5 EDBDMM Cc1cccc2nc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)n(C)c21 ZINC000187191408 442659945 /nfs/dbraw/zinc/65/99/45/442659945.db2.gz SQLWTIOFVPKEAN-UHFFFAOYSA-N -1 1 341.327 1.821 20 5 EDBDMM O=C(NC[C@H](CCO)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193686346 442767563 /nfs/dbraw/zinc/76/75/63/442767563.db2.gz PEGVHHNYBIDABJ-LBPRGKRZSA-N -1 1 331.328 1.591 20 5 EDBDMM COC(=O)[C@]1([N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000272171660 443546862 /nfs/dbraw/zinc/54/68/62/443546862.db2.gz QAUNRMOYGLTSJB-ZDUSSCGKSA-N -1 1 344.270 1.135 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ncnn1C ZINC000276623695 443768542 /nfs/dbraw/zinc/76/85/42/443768542.db2.gz FKONNFRRCOLVAC-SSDOTTSWSA-N -1 1 345.768 1.416 20 5 EDBDMM COc1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000288247328 443818892 /nfs/dbraw/zinc/81/88/92/443818892.db2.gz BGTQKSFXXXZVOH-ZCFIWIBFSA-N -1 1 328.268 1.833 20 5 EDBDMM C[C@H]1Cc2ccccc2N1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000302994130 444232676 /nfs/dbraw/zinc/23/26/76/444232676.db2.gz MYHYUUORJOXZHG-NSHDSACASA-N -1 1 342.355 1.876 20 5 EDBDMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000342075833 445159051 /nfs/dbraw/zinc/15/90/51/445159051.db2.gz XVVFHKNFGRGYFN-RAIGVLPGSA-N -1 1 347.331 1.040 20 5 EDBDMM Cn1[n-]c(COc2ccc(Br)cc2[N+](=O)[O-])nc1=O ZINC000351698631 445277427 /nfs/dbraw/zinc/27/74/27/445277427.db2.gz XWUYGKOYKUFHCT-UHFFFAOYSA-N -1 1 329.110 1.358 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349577166 445617038 /nfs/dbraw/zinc/61/70/38/445617038.db2.gz HRGIZHPNYBSYLD-UHFFFAOYSA-N -1 1 346.752 1.605 20 5 EDBDMM COC[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])OC ZINC000358520269 445630312 /nfs/dbraw/zinc/63/03/12/445630312.db2.gz NBTUHHICKPUMCS-MRVPVSSYSA-N -1 1 338.769 1.188 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2cccs2)C(=O)C1 ZINC000375099118 446580272 /nfs/dbraw/zinc/58/02/72/446580272.db2.gz IRKQODCPJDNCTN-UHFFFAOYSA-N -1 1 348.340 1.246 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1noc(C(F)F)n1 ZINC000591784626 448490874 /nfs/dbraw/zinc/49/08/74/448490874.db2.gz TWBPMAOOOCWFTD-BYPYZUCNSA-N -1 1 329.219 1.507 20 5 EDBDMM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000518928436 448722046 /nfs/dbraw/zinc/72/20/46/448722046.db2.gz KDIRIHCDFBWGDS-FPMFFAJLSA-N -1 1 342.359 1.618 20 5 EDBDMM O=C(NCc1ccc2c(=O)cc[nH]c2c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000590339361 449134022 /nfs/dbraw/zinc/13/40/22/449134022.db2.gz ABTOQADKCVTSBD-UHFFFAOYSA-N -1 1 340.295 1.467 20 5 EDBDMM O=C([O-])[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C1CC1 ZINC000593703856 449153406 /nfs/dbraw/zinc/15/34/06/449153406.db2.gz QMJLEXYNKRBFPT-NWDGAFQWSA-N -1 1 344.327 1.654 20 5 EDBDMM O=C(N[C@H]1CC[C@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590764903 449284295 /nfs/dbraw/zinc/28/42/95/449284295.db2.gz VGLXIJXGINEBLV-UPONEAKYSA-N -1 1 335.238 1.271 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000594475946 449541716 /nfs/dbraw/zinc/54/17/16/449541716.db2.gz ZUZGLFOGBXYXMV-WCQYABFASA-N -1 1 341.389 1.616 20 5 EDBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])cn1 ZINC000594780453 449691908 /nfs/dbraw/zinc/69/19/08/449691908.db2.gz LSFQWOIFJSXNCX-VIFPVBQESA-N -1 1 325.350 1.246 20 5 EDBDMM C[C@H](Cc1cccs1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610260604 450173146 /nfs/dbraw/zinc/17/31/46/450173146.db2.gz LJHQEPBKWDUXCT-SECBINFHSA-N -1 1 327.387 1.961 20 5 EDBDMM C[C@]1(c2ccccc2)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265510 450174573 /nfs/dbraw/zinc/17/45/73/450174573.db2.gz QPQRMVDSIUFMQM-DZGCQCFKSA-N -1 1 333.369 1.998 20 5 EDBDMM C[C@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265512 450176545 /nfs/dbraw/zinc/17/65/45/450176545.db2.gz QPQRMVDSIUFMQM-UKRRQHHQSA-N -1 1 333.369 1.998 20 5 EDBDMM CCN1CC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000619797457 450336462 /nfs/dbraw/zinc/33/64/62/450336462.db2.gz FGCOZCFGDGNCGL-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000153336021 527874397 /nfs/dbraw/zinc/87/43/97/527874397.db2.gz QDSYYFLUKWIUDU-WQHBLYJGSA-N -1 1 344.364 1.826 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)OC ZINC000270540346 535926363 /nfs/dbraw/zinc/92/63/63/535926363.db2.gz XPWJNIMXUCHKGY-QMMMGPOBSA-N -1 1 336.753 1.478 20 5 EDBDMM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000742030156 579433265 /nfs/dbraw/zinc/43/32/65/579433265.db2.gz QXTSJSLLJMCVPT-UHFFFAOYSA-N -1 1 327.293 1.944 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000739376822 579198049 /nfs/dbraw/zinc/19/80/49/579198049.db2.gz YEDYBFHNUMVZEK-IUCAKERBSA-N -1 1 339.352 1.389 20 5 EDBDMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1ccc([N+](=O)[O-])cc1 ZINC000750936622 579787880 /nfs/dbraw/zinc/78/78/80/579787880.db2.gz DMHUWNGCESJKDG-UHFFFAOYSA-N -1 1 341.301 1.181 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CSCCS1 ZINC000758438811 579982623 /nfs/dbraw/zinc/98/26/23/579982623.db2.gz PRASCPJZQTWQBX-QMMMGPOBSA-N -1 1 335.432 1.117 20 5 EDBDMM O=C(NC[C@@H]1COc2ccccc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770102996 580252893 /nfs/dbraw/zinc/25/28/93/580252893.db2.gz CMWANMBJJJWJFS-SNVBAGLBSA-N -1 1 329.312 1.677 20 5 EDBDMM O=C(COC(=O)c1cn[n-]n1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000805605478 593111628 /nfs/dbraw/zinc/11/16/28/593111628.db2.gz IUXJKDLIURGYDV-UHFFFAOYSA-N -1 1 325.668 1.162 20 5 EDBDMM Cc1nc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cs1 ZINC000822439658 594049402 /nfs/dbraw/zinc/04/94/02/594049402.db2.gz CWDVRBWNIQDQCD-UHFFFAOYSA-N -1 1 332.349 1.589 20 5 EDBDMM Cc1nc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cs1 ZINC000822439658 594049405 /nfs/dbraw/zinc/04/94/05/594049405.db2.gz CWDVRBWNIQDQCD-UHFFFAOYSA-N -1 1 332.349 1.589 20 5 EDBDMM CC1(C)C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C(C)(C)O1 ZINC000824795754 594076319 /nfs/dbraw/zinc/07/63/19/594076319.db2.gz CLLWXXAFGSAWSL-SECBINFHSA-N -1 1 333.352 1.928 20 5 EDBDMM CC1(C)C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C(C)(C)O1 ZINC000824795754 594076321 /nfs/dbraw/zinc/07/63/21/594076321.db2.gz CLLWXXAFGSAWSL-SECBINFHSA-N -1 1 333.352 1.928 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H]1CSCCS1 ZINC000823625025 594222629 /nfs/dbraw/zinc/22/26/29/594222629.db2.gz OEKPNSXTFIJLQD-ZETCQYMHSA-N -1 1 339.406 1.430 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H]1CSCCS1 ZINC000823625025 594222630 /nfs/dbraw/zinc/22/26/30/594222630.db2.gz OEKPNSXTFIJLQD-ZETCQYMHSA-N -1 1 339.406 1.430 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826498739 594502807 /nfs/dbraw/zinc/50/28/07/594502807.db2.gz HUMSGZLUWHJEIZ-UHFFFAOYSA-N -1 1 327.308 1.089 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826498739 594502808 /nfs/dbraw/zinc/50/28/08/594502808.db2.gz HUMSGZLUWHJEIZ-UHFFFAOYSA-N -1 1 327.308 1.089 20 5 EDBDMM COC[C@@](C)(CC(=O)[O-])NCC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000831578422 594685027 /nfs/dbraw/zinc/68/50/27/594685027.db2.gz NPXCTSLYSAIYRY-OAHLLOKOSA-N -1 1 339.348 1.311 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000832309203 594741849 /nfs/dbraw/zinc/74/18/49/594741849.db2.gz GBELKIALMDMXDS-HZGVNTEJSA-N -1 1 340.760 1.825 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1(CO)CC1 ZINC000832451469 594751457 /nfs/dbraw/zinc/75/14/57/594751457.db2.gz ZAWUWDRMZKWYHZ-UHFFFAOYSA-N -1 1 334.781 1.689 20 5 EDBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000859409464 596083762 /nfs/dbraw/zinc/08/37/62/596083762.db2.gz SLFZLJHJJUFQIZ-LJGSYFOKSA-N -1 1 338.744 1.843 20 5 EDBDMM O=[N+]([O-])c1ccc(OCCNc2cccc(-c3nnn[n-]3)n2)cc1 ZINC000738366985 599435257 /nfs/dbraw/zinc/43/52/57/599435257.db2.gz MKPBFXGESXECSM-UHFFFAOYSA-N -1 1 327.304 1.661 20 5 EDBDMM O=[N+]([O-])c1ccc(OCCNc2cccc(-c3nn[n-]n3)n2)cc1 ZINC000738366985 599435260 /nfs/dbraw/zinc/43/52/60/599435260.db2.gz MKPBFXGESXECSM-UHFFFAOYSA-N -1 1 327.304 1.661 20 5 EDBDMM C[C@@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000921499107 700452762 /nfs/dbraw/zinc/45/27/62/700452762.db2.gz RZXKINZBMNZUSW-HZGVNTEJSA-N -1 1 338.744 1.701 20 5 EDBDMM CC(C)CN1CCO[C@H](CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000022693684 212317046 /nfs/dbraw/zinc/31/70/46/212317046.db2.gz HHZKQGNOVIBBRB-CYBMUJFWSA-N -1 1 337.376 1.387 20 5 EDBDMM C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1 ZINC000263088432 139321755 /nfs/dbraw/zinc/32/17/55/139321755.db2.gz SMDYNMBLVUZXNS-PRHODGIISA-N -1 1 332.316 1.796 20 5 EDBDMM O=C([O-])c1cc(N2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000571449391 306566287 /nfs/dbraw/zinc/56/62/87/306566287.db2.gz RPOZWNOPSUAHRL-CYBMUJFWSA-N -1 1 349.387 1.842 20 5 EDBDMM O=C(NCCN1C(=O)Cc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000338157586 141745270 /nfs/dbraw/zinc/74/52/70/141745270.db2.gz SFUNMEYNKFCOFR-UHFFFAOYSA-N -1 1 342.311 1.015 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000345548615 143104441 /nfs/dbraw/zinc/10/44/41/143104441.db2.gz WIOMWNFGSKFVGD-UHFFFAOYSA-N -1 1 336.739 1.961 20 5 EDBDMM COC(=O)C1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCCCC1 ZINC000346100194 143167611 /nfs/dbraw/zinc/16/76/11/143167611.db2.gz YCRSCUURJGTPOL-UHFFFAOYSA-N -1 1 337.332 1.549 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000346576963 143218201 /nfs/dbraw/zinc/21/82/01/143218201.db2.gz KRIOLUDFJQSSSB-UWVGGRQHSA-N -1 1 332.382 1.047 20 5 EDBDMM Cc1cn2c(n1)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CCC2 ZINC000372227102 156277563 /nfs/dbraw/zinc/27/75/63/156277563.db2.gz YJXZWEVIVIMMHL-SNVBAGLBSA-N -1 1 331.332 1.508 20 5 EDBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000436518863 305159589 /nfs/dbraw/zinc/15/95/89/305159589.db2.gz MKCBOKWUYJVMOQ-UHFFFAOYSA-N -1 1 332.272 1.317 20 5 EDBDMM O=C(NCc1ccnc(OC2CCC2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445130068 305257094 /nfs/dbraw/zinc/25/70/94/305257094.db2.gz AWMLDJCIDFTZGM-UHFFFAOYSA-N -1 1 344.327 1.952 20 5 EDBDMM O=C(NCCOc1ccc(F)cc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000106918813 441389573 /nfs/dbraw/zinc/38/95/73/441389573.db2.gz PFZOXWPMVDICGF-UHFFFAOYSA-N -1 1 339.254 1.782 20 5 EDBDMM CN(CCCOc1ccc(F)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000032064672 441544490 /nfs/dbraw/zinc/54/44/90/441544490.db2.gz OZPBREMNXRVJPB-UHFFFAOYSA-N -1 1 349.318 1.963 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000176214212 442192160 /nfs/dbraw/zinc/19/21/60/442192160.db2.gz WUJJHUVIPDGKBY-GFCCVEGCSA-N -1 1 335.360 1.095 20 5 EDBDMM Cc1cnc(C[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000120967012 442159088 /nfs/dbraw/zinc/15/90/88/442159088.db2.gz UUGHZRQEKJPEAK-UHFFFAOYSA-N -1 1 329.309 1.817 20 5 EDBDMM CCC[C@H](NC(=O)CCCNc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000176755334 442253701 /nfs/dbraw/zinc/25/37/01/442253701.db2.gz LFHNSODCIKUNQU-ZDUSSCGKSA-N -1 1 347.379 1.958 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000153336231 442276399 /nfs/dbraw/zinc/27/63/99/442276399.db2.gz QDSYYFLUKWIUDU-CKLFPEKLSA-N -1 1 344.364 1.826 20 5 EDBDMM CC(C)[C@@](C)(O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000178743722 442471789 /nfs/dbraw/zinc/47/17/89/442471789.db2.gz FZFGMRXMLAVGMU-LBPRGKRZSA-N -1 1 336.797 1.934 20 5 EDBDMM Cc1nc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)no1 ZINC000191989076 442556303 /nfs/dbraw/zinc/55/63/03/442556303.db2.gz RNHPRJSBUSYKSW-UHFFFAOYSA-N -1 1 326.334 1.382 20 5 EDBDMM CC[N@H+]1CCC[C@H]1CNS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000193202746 442722177 /nfs/dbraw/zinc/72/21/77/442722177.db2.gz SYJVYSHCULHHRI-LBPRGKRZSA-N -1 1 327.406 1.666 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCn1ccnn1 ZINC000183162002 318519542 /nfs/dbraw/zinc/51/95/42/318519542.db2.gz XNRXKOKJSSHLRM-UHFFFAOYSA-N -1 1 345.768 1.208 20 5 EDBDMM C/C=C/C[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185271319 443173214 /nfs/dbraw/zinc/17/32/14/443173214.db2.gz GDVHOXZXHYXQKK-HPOULIHZSA-N -1 1 334.781 1.854 20 5 EDBDMM CCc1nc([C@@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CCO2)n[nH]1 ZINC000269362324 443293708 /nfs/dbraw/zinc/29/37/08/443293708.db2.gz UTVLPKMJTJVKHV-NSHDSACASA-N -1 1 347.331 1.195 20 5 EDBDMM O=C(N[C@H]1CCN(c2ncccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185827784 443264660 /nfs/dbraw/zinc/26/46/60/443264660.db2.gz CHJODVDUEFEARF-JTQLQIEISA-N -1 1 347.306 1.238 20 5 EDBDMM C[C@H]1CN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000283445105 443635087 /nfs/dbraw/zinc/63/50/87/443635087.db2.gz NNRNENBHLZWJTP-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1Cl ZINC000290988942 443728360 /nfs/dbraw/zinc/72/83/60/443728360.db2.gz SXIBWUZNKDZBMU-SSDOTTSWSA-N -1 1 335.769 1.467 20 5 EDBDMM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285192353 443889714 /nfs/dbraw/zinc/88/97/14/443889714.db2.gz DWSIVPNAMWDNCY-GFCCVEGCSA-N -1 1 339.377 1.399 20 5 EDBDMM O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])[n-]1 ZINC000298881419 443892014 /nfs/dbraw/zinc/89/20/14/443892014.db2.gz SKKXLTASHXMHOE-UHFFFAOYSA-N -1 1 344.327 1.648 20 5 EDBDMM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000293746577 444087002 /nfs/dbraw/zinc/08/70/02/444087002.db2.gz WISUCQPUFDYRTF-QMMMGPOBSA-N -1 1 348.281 1.452 20 5 EDBDMM CCCN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000568065013 321275420 /nfs/dbraw/zinc/27/54/20/321275420.db2.gz YBKDAPJAFFGCCI-UHFFFAOYSA-N -1 1 330.362 1.165 20 5 EDBDMM CN(CC(=O)NCc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000579291477 321913194 /nfs/dbraw/zinc/91/31/94/321913194.db2.gz RMKQYMFPPUMFGZ-UHFFFAOYSA-N -1 1 344.327 1.084 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)F)c2ncccc12 ZINC000342593831 444763465 /nfs/dbraw/zinc/76/34/65/444763465.db2.gz QPADPASUNBKSNW-UHFFFAOYSA-N -1 1 335.263 1.984 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000339042148 445004078 /nfs/dbraw/zinc/00/40/78/445004078.db2.gz DTSGNSXBKJYYJL-CMPLNLGQSA-N -1 1 346.409 1.151 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000339047708 445007549 /nfs/dbraw/zinc/00/75/49/445007549.db2.gz HFQAWXCRBXSPMF-GHMZBOCLSA-N -1 1 330.410 1.916 20 5 EDBDMM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000359802378 445436040 /nfs/dbraw/zinc/43/60/40/445436040.db2.gz SSFFRULJFIADTB-MRVPVSSYSA-N -1 1 336.377 1.640 20 5 EDBDMM O=C(Nc1ccn(-c2ccncc2)n1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000353080200 445574304 /nfs/dbraw/zinc/57/43/04/445574304.db2.gz NUOBLQHIWPUQRU-UHFFFAOYSA-N -1 1 325.284 2.133 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000362941729 445619197 /nfs/dbraw/zinc/61/91/97/445619197.db2.gz LQCJOXXTNWOOPC-KBPBESRZSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000399233623 325748163 /nfs/dbraw/zinc/74/81/63/325748163.db2.gz ASKUKLMIGUFZOZ-SNVBAGLBSA-N -1 1 332.309 1.266 20 5 EDBDMM Cn1cc(C[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cn1 ZINC000373078592 446012978 /nfs/dbraw/zinc/01/29/78/446012978.db2.gz GBJBXUWOWJFBBH-SNVBAGLBSA-N -1 1 331.332 1.134 20 5 EDBDMM C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000583262674 326037709 /nfs/dbraw/zinc/03/77/09/326037709.db2.gz CFHSVFMCIGQGPX-RISCZKNCSA-N -1 1 335.360 1.600 20 5 EDBDMM COc1cccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000425323484 447114704 /nfs/dbraw/zinc/11/47/04/447114704.db2.gz OUPKYCLNLIVETK-UHFFFAOYSA-N -1 1 348.315 1.712 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCOCC1CCCC1 ZINC000570028014 447935365 /nfs/dbraw/zinc/93/53/65/447935365.db2.gz BHIQXDFGAHZUAJ-UHFFFAOYSA-N -1 1 329.378 1.475 20 5 EDBDMM Cc1cc(NC[C@@H](C)CN2CCOCC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000516185215 448394517 /nfs/dbraw/zinc/39/45/17/448394517.db2.gz UYZYGAIVVQDWNP-LLVKDONJSA-N -1 1 337.376 1.982 20 5 EDBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000547331555 448869024 /nfs/dbraw/zinc/86/90/24/448869024.db2.gz LQLRBHFRFIQYMP-NEPJUHHUSA-N -1 1 343.405 1.860 20 5 EDBDMM CC(C)(C)OC(=O)Cn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000592810524 449000611 /nfs/dbraw/zinc/00/06/11/449000611.db2.gz HAEOLRUYKPCCED-UHFFFAOYSA-N -1 1 335.320 1.713 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000611083605 449162171 /nfs/dbraw/zinc/16/21/71/449162171.db2.gz MNRWWYFWGSLQIN-YUSALJHKSA-N -1 1 339.373 1.226 20 5 EDBDMM Cn1cc([C@@H]2C[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)cn1 ZINC000590401553 449148624 /nfs/dbraw/zinc/14/86/24/449148624.db2.gz GECAEOZIHRZMAK-GWCFXTLKSA-N -1 1 347.331 1.079 20 5 EDBDMM Cc1cn2c(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)c(C)nc2s1 ZINC000590403641 449149982 /nfs/dbraw/zinc/14/99/82/449149982.db2.gz ZFADKJDZAIFZQZ-UHFFFAOYSA-N -1 1 347.356 1.951 20 5 EDBDMM C[C@@H]1COCCN1C1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000590555006 449189295 /nfs/dbraw/zinc/18/92/95/449189295.db2.gz JSLUMHGULPNHFH-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM O=C([O-])c1cc(N2CCN(C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000604474709 449235341 /nfs/dbraw/zinc/23/53/41/449235341.db2.gz RKKJAMKGHQVJDO-ZDUSSCGKSA-N -1 1 335.360 1.594 20 5 EDBDMM O=C(NCC1(O)CCC(F)(F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598422866 449386738 /nfs/dbraw/zinc/38/67/38/449386738.db2.gz HJPRAGAGCYVYAC-UHFFFAOYSA-N -1 1 331.275 1.366 20 5 EDBDMM C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598775168 449594539 /nfs/dbraw/zinc/59/45/39/449594539.db2.gz AVTYMOMFWKTLRB-IINYFYTJSA-N -1 1 331.328 1.590 20 5 EDBDMM O=C1[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CCC1 ZINC000599525471 450043465 /nfs/dbraw/zinc/04/34/65/450043465.db2.gz MTHGWUQZLCQTTE-VIFPVBQESA-N -1 1 345.402 1.088 20 5 EDBDMM Cc1cccn2cc(CCNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)nc12 ZINC000618381922 450186367 /nfs/dbraw/zinc/18/63/67/450186367.db2.gz KQJXTMRJIGBGPB-UHFFFAOYSA-N -1 1 341.327 1.624 20 5 EDBDMM CC[C@H](O)CN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736925618 579032773 /nfs/dbraw/zinc/03/27/73/579032773.db2.gz BMBAAFIXDUYFFL-SDQPKGBYSA-N -1 1 349.387 1.586 20 5 EDBDMM COCC[N@H+]1CCC[C@H](Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])C1 ZINC000737006404 579039950 /nfs/dbraw/zinc/03/99/50/579039950.db2.gz IBLDOSIDNPTQSG-LBPRGKRZSA-N -1 1 347.379 1.298 20 5 EDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000766964181 580178300 /nfs/dbraw/zinc/17/83/00/580178300.db2.gz PKCCPKSXRARCJA-UHFFFAOYSA-N -1 1 345.267 1.497 20 5 EDBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NCC(F)(F)F ZINC000769048772 580226472 /nfs/dbraw/zinc/22/64/72/580226472.db2.gz MLNGTSCUZBXMGX-LURJTMIESA-N -1 1 336.222 1.524 20 5 EDBDMM O=C(NC[C@H](O)c1ccccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770518717 580263222 /nfs/dbraw/zinc/26/32/22/580263222.db2.gz ROIWHJTUBZKJCH-LBPRGKRZSA-N -1 1 337.719 1.812 20 5 EDBDMM Cc1nn(CCC(=O)N=c2ccnc3n(C)[n-]cc2-3)c(C)c1[N+](=O)[O-] ZINC000791166589 580785619 /nfs/dbraw/zinc/78/56/19/580785619.db2.gz WSTNZIUNNUSISA-UHFFFAOYSA-N -1 1 343.347 1.092 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C(C)C ZINC000866868181 590771644 /nfs/dbraw/zinc/77/16/44/590771644.db2.gz FYZDPIVWFPFWQT-LLVKDONJSA-N -1 1 334.369 1.992 20 5 EDBDMM CN1CCN(CCNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000013272626 591065410 /nfs/dbraw/zinc/06/54/10/591065410.db2.gz AIXYHAOACIGMCJ-HWKANZROSA-N -1 1 334.376 1.352 20 5 EDBDMM CCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000820838296 593902826 /nfs/dbraw/zinc/90/28/26/593902826.db2.gz RPMVDPOLACBCRC-UHFFFAOYSA-N -1 1 345.363 1.224 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNCc1ccc(-c2nn[n-]n2)o1 ZINC000821846778 593953051 /nfs/dbraw/zinc/95/30/51/593953051.db2.gz ZXUDCBXMZYXKJM-UHFFFAOYSA-N -1 1 330.304 1.666 20 5 EDBDMM Cc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822227696 594015013 /nfs/dbraw/zinc/01/50/13/594015013.db2.gz RVLZIYJHRNJUHG-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822227696 594015016 /nfs/dbraw/zinc/01/50/16/594015016.db2.gz RVLZIYJHRNJUHG-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453036 594015717 /nfs/dbraw/zinc/01/57/17/594015717.db2.gz FHLNWSVVWMDIOB-VIFPVBQESA-N -1 1 339.352 1.656 20 5 EDBDMM Cc1ccc(OCCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822263407 594020569 /nfs/dbraw/zinc/02/05/69/594020569.db2.gz OBHLBQIYLRKYKX-UHFFFAOYSA-N -1 1 341.331 1.969 20 5 EDBDMM Cc1ccc(OCCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822263407 594020570 /nfs/dbraw/zinc/02/05/70/594020570.db2.gz OBHLBQIYLRKYKX-UHFFFAOYSA-N -1 1 341.331 1.969 20 5 EDBDMM C[C@@H](Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cncc(F)c1 ZINC000824669510 594053591 /nfs/dbraw/zinc/05/35/91/594053591.db2.gz CZOMNZGKVGSXEN-SSDOTTSWSA-N -1 1 330.283 1.877 20 5 EDBDMM C[C@@H](Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cncc(F)c1 ZINC000824669510 594053593 /nfs/dbraw/zinc/05/35/93/594053593.db2.gz CZOMNZGKVGSXEN-SSDOTTSWSA-N -1 1 330.283 1.877 20 5 EDBDMM O=C([O-])C[C@@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCOC1 ZINC000823345419 594189893 /nfs/dbraw/zinc/18/98/93/594189893.db2.gz XMBFRKNHFYPELX-HNNXBMFYSA-N -1 1 348.315 1.225 20 5 EDBDMM O=C1Cc2cc(Nc3nccc(-c4nnn[n-]4)c3[N+](=O)[O-])ccc2N1 ZINC000823540359 594215580 /nfs/dbraw/zinc/21/55/80/594215580.db2.gz BJDIXEASNRUIKV-UHFFFAOYSA-N -1 1 338.287 1.408 20 5 EDBDMM O=C1Cc2cc(Nc3nccc(-c4nn[n-]n4)c3[N+](=O)[O-])ccc2N1 ZINC000823540359 594215581 /nfs/dbraw/zinc/21/55/81/594215581.db2.gz BJDIXEASNRUIKV-UHFFFAOYSA-N -1 1 338.287 1.408 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@H]1Cn1cccn1 ZINC000823619736 594221778 /nfs/dbraw/zinc/22/17/78/594221778.db2.gz AAYLZWOJMPJXHX-JTQLQIEISA-N -1 1 341.335 1.035 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H]1Cn1cccn1 ZINC000823619736 594221779 /nfs/dbraw/zinc/22/17/79/594221779.db2.gz AAYLZWOJMPJXHX-JTQLQIEISA-N -1 1 341.335 1.035 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)Cc1ccccc1 ZINC000823619843 594221867 /nfs/dbraw/zinc/22/18/67/594221867.db2.gz BZBQXBAINZEYSZ-NSHDSACASA-N -1 1 341.331 1.185 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)Cc1ccccc1 ZINC000823619843 594221868 /nfs/dbraw/zinc/22/18/68/594221868.db2.gz BZBQXBAINZEYSZ-NSHDSACASA-N -1 1 341.331 1.185 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2noc(Cn3ccnc3-c3nnn[n-]3)n2)cc1 ZINC000826498068 594502971 /nfs/dbraw/zinc/50/29/71/594502971.db2.gz GRXTUWJHFNUHAK-UHFFFAOYSA-N -1 1 339.275 1.070 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2noc(Cn3ccnc3-c3nn[n-]n3)n2)cc1 ZINC000826498068 594502972 /nfs/dbraw/zinc/50/29/72/594502972.db2.gz GRXTUWJHFNUHAK-UHFFFAOYSA-N -1 1 339.275 1.070 20 5 EDBDMM COC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC1 ZINC000867069734 594540159 /nfs/dbraw/zinc/54/01/59/594540159.db2.gz IQZLEIISPISWLE-UHFFFAOYSA-N -1 1 332.353 1.890 20 5 EDBDMM CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832555215 594759027 /nfs/dbraw/zinc/75/90/27/594759027.db2.gz FUIJWXIOJFVARL-QMMMGPOBSA-N -1 1 334.325 1.352 20 5 EDBDMM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[C@H](N2CC=CC2)C1 ZINC000833307483 594824119 /nfs/dbraw/zinc/82/41/19/594824119.db2.gz OPTFYLHKCKPOQC-JTQLQIEISA-N -1 1 348.315 1.652 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)C(C)C ZINC000841562157 594923488 /nfs/dbraw/zinc/92/34/88/594923488.db2.gz UKNZVOABLVROIR-GXFFZTMASA-N -1 1 334.369 1.808 20 5 EDBDMM O=C([O-])N[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000834149753 595030359 /nfs/dbraw/zinc/03/03/59/595030359.db2.gz HRKJPPCIKISUOH-SECBINFHSA-N -1 1 347.324 1.058 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2C[C@H]3CCC[C@H]3O2)s1 ZINC000872559505 596964817 /nfs/dbraw/zinc/96/48/17/596964817.db2.gz XROXVYPAZUURRD-KXUCPTDWSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C([O-])[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000262640348 139292361 /nfs/dbraw/zinc/29/23/61/139292361.db2.gz HIEXOLRCMNBSHG-RISCZKNCSA-N -1 1 333.344 1.497 20 5 EDBDMM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CC1[N+](=O)[O-])CC3 ZINC000363080113 304251272 /nfs/dbraw/zinc/25/12/72/304251272.db2.gz UOOMRSYSVJNJQU-IINYFYTJSA-N -1 1 329.312 1.416 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000245976319 296496236 /nfs/dbraw/zinc/49/62/36/296496236.db2.gz BXVOFVZTKRQRBL-WCQGTBRESA-N -1 1 344.364 1.970 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000272054229 140393416 /nfs/dbraw/zinc/39/34/16/140393416.db2.gz NPSOQUGWKGKNSK-KOLCDFICSA-N -1 1 332.353 1.970 20 5 EDBDMM CC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369736540 155156500 /nfs/dbraw/zinc/15/65/00/155156500.db2.gz OPNZFZJLCIQLPW-STQMWFEESA-N -1 1 348.359 1.311 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(CN2CCCC2=O)CC1 ZINC000369825631 155191201 /nfs/dbraw/zinc/19/12/01/155191201.db2.gz XNLWTGVUJYMAFR-UHFFFAOYSA-N -1 1 348.359 1.170 20 5 EDBDMM NC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066327532 287242741 /nfs/dbraw/zinc/24/27/41/287242741.db2.gz BDOBFLGXRGPJMW-NSHDSACASA-N -1 1 341.370 1.161 20 5 EDBDMM COc1ccc(OC)c(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000274902221 268233664 /nfs/dbraw/zinc/23/36/64/268233664.db2.gz PZUBOHZFANMVOI-UHFFFAOYSA-N -1 1 347.327 1.685 20 5 EDBDMM CC(C)(C)C(=O)N1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274905194 268235247 /nfs/dbraw/zinc/23/52/47/268235247.db2.gz RFUPEQOSTKMGLT-UHFFFAOYSA-N -1 1 336.348 1.026 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2cccc(O)c2)CC1 ZINC000274984044 268256222 /nfs/dbraw/zinc/25/62/22/268256222.db2.gz JYJLAUVGZVONDF-UHFFFAOYSA-N -1 1 344.327 1.363 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)cn3)no2)[n-]1 ZINC000274112634 273070217 /nfs/dbraw/zinc/07/02/17/273070217.db2.gz JBXZKNNLNTUEQU-UHFFFAOYSA-N -1 1 342.315 1.872 20 5 EDBDMM CC(=O)c1ccc(N2CCC(c3nc(=O)[n-][nH]3)CC2)c([N+](=O)[O-])c1 ZINC000281041221 273428943 /nfs/dbraw/zinc/42/89/43/273428943.db2.gz VQVKTDAKBOGGPU-UHFFFAOYSA-N -1 1 331.332 1.593 20 5 EDBDMM COC(=O)[C@]12CN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000286190134 287956140 /nfs/dbraw/zinc/95/61/40/287956140.db2.gz KFFZVANXWTYRIZ-BDJLRTHQSA-N -1 1 349.343 1.501 20 5 EDBDMM O=c1nc([C@H]2CCCCN2CCOc2ccc([N+](=O)[O-])cc2)[nH][n-]1 ZINC000295313129 303203460 /nfs/dbraw/zinc/20/34/60/303203460.db2.gz NIXRLDMTRMROCU-CYBMUJFWSA-N -1 1 333.348 1.612 20 5 EDBDMM COC(=O)c1cc([N-]S(=O)(=O)CCCCF)cc([N+](=O)[O-])c1 ZINC000295663124 303249274 /nfs/dbraw/zinc/24/92/74/303249274.db2.gz APMCRZLEXZWVDO-UHFFFAOYSA-N -1 1 334.325 1.873 20 5 EDBDMM CN(CCCC(=O)[O-])CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000430672570 305062095 /nfs/dbraw/zinc/06/20/95/305062095.db2.gz VFPNIFJITUCUCV-UHFFFAOYSA-N -1 1 339.304 1.059 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC23CCOCC3)s1 ZINC000431275438 305077299 /nfs/dbraw/zinc/07/72/99/305077299.db2.gz QRXCFHYQWSWLCY-VIFPVBQESA-N -1 1 332.403 1.751 20 5 EDBDMM CCc1[nH]nc(C(=O)[N-]c2n[nH]c(-c3ccncc3)n2)c1[N+](=O)[O-] ZINC000433087319 305099878 /nfs/dbraw/zinc/09/98/78/305099878.db2.gz CKLXRBZEVOIJGR-UHFFFAOYSA-N -1 1 328.292 1.313 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC[C@@H]1O ZINC000124895761 441963906 /nfs/dbraw/zinc/96/39/06/441963906.db2.gz SNYXRDOFHGSIJM-CABZTGNLSA-N -1 1 334.419 1.876 20 5 EDBDMM O=C(NC1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000097152474 442177173 /nfs/dbraw/zinc/17/71/73/442177173.db2.gz LAFCMIZHRDBMRY-UHFFFAOYSA-N -1 1 342.355 1.682 20 5 EDBDMM CNC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000178928382 442528616 /nfs/dbraw/zinc/52/86/16/442528616.db2.gz NKXLIEXUSOXRKC-LLVKDONJSA-N -1 1 349.796 1.297 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@H]1CCCCO1 ZINC000180779130 442658432 /nfs/dbraw/zinc/65/84/32/442658432.db2.gz SKWNPVOYOYPKEA-SNVBAGLBSA-N -1 1 332.353 1.971 20 5 EDBDMM CN(C)C(=O)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000194442193 442897374 /nfs/dbraw/zinc/89/73/74/442897374.db2.gz QAOUWFDSYCCKQM-UHFFFAOYSA-N -1 1 349.796 1.395 20 5 EDBDMM CCC[C@@H](NC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nn[n-]n1 ZINC000268214794 442903261 /nfs/dbraw/zinc/90/32/61/442903261.db2.gz PIDCIHMWGLHLIF-GFCCVEGCSA-N -1 1 343.347 1.720 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CC1(CO)CCC1 ZINC000183301791 442919354 /nfs/dbraw/zinc/91/93/54/442919354.db2.gz PCNWRWRUVCKRKF-UHFFFAOYSA-N -1 1 334.781 1.689 20 5 EDBDMM O=C(NCc1ccnc(-n2ccnc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000194662080 442934266 /nfs/dbraw/zinc/93/42/66/442934266.db2.gz ZJHDGXSRRDLCGX-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@@H](C3CC3)C2)s1 ZINC000183808602 442966301 /nfs/dbraw/zinc/96/63/01/442966301.db2.gz BLDGZQJVTANXTC-VHSXEESVSA-N -1 1 332.403 1.892 20 5 EDBDMM CS(=O)(=O)C1(c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)CCCC1 ZINC000296623100 318711978 /nfs/dbraw/zinc/71/19/78/318711978.db2.gz ZJGRTVQWGYZXBS-UHFFFAOYSA-N -1 1 326.334 1.787 20 5 EDBDMM O=C(N[C@@H](CCCO)c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185863273 443271562 /nfs/dbraw/zinc/27/15/62/443271562.db2.gz RTRYWOADDVHRKG-ZDUSSCGKSA-N -1 1 331.328 1.939 20 5 EDBDMM CCCCOC(=O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000265402432 443629485 /nfs/dbraw/zinc/62/94/85/443629485.db2.gz LBKKUSAPAAEIQZ-UHFFFAOYSA-N -1 1 334.325 1.356 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C2CC2)s1 ZINC000434762015 320002654 /nfs/dbraw/zinc/00/26/54/320002654.db2.gz FDYPWPDYBQRGKT-NSHDSACASA-N -1 1 345.446 1.952 20 5 EDBDMM C[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281108636 443822458 /nfs/dbraw/zinc/82/24/58/443822458.db2.gz GBUPASHQIYXARE-LURJTMIESA-N -1 1 326.733 1.294 20 5 EDBDMM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000299201556 443981699 /nfs/dbraw/zinc/98/16/99/443981699.db2.gz DMTBXGNIPCAFAD-SECBINFHSA-N -1 1 344.780 1.812 20 5 EDBDMM O=c1nc([C@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])[nH][n-]1 ZINC000289043241 444040553 /nfs/dbraw/zinc/04/05/53/444040553.db2.gz BPUBZFRCMSAGOS-GFCCVEGCSA-N -1 1 333.348 1.612 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(C1)Oc1ccccc1O2 ZINC000290593905 444299057 /nfs/dbraw/zinc/29/90/57/444299057.db2.gz IUQQKTKGIKPFIS-UHFFFAOYSA-N -1 1 343.295 1.709 20 5 EDBDMM CO[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@@H](C(=O)[O-])C1 ZINC000580785662 322096214 /nfs/dbraw/zinc/09/62/14/322096214.db2.gz JJSHROJOFCARJG-BXKDBHETSA-N -1 1 348.315 1.175 20 5 EDBDMM CCCOc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cn1 ZINC000341275527 444758110 /nfs/dbraw/zinc/75/81/10/444758110.db2.gz DOZBLVZNSJASHU-UHFFFAOYSA-N -1 1 332.316 1.809 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])n1 ZINC000339047711 445007490 /nfs/dbraw/zinc/00/74/90/445007490.db2.gz HFQAWXCRBXSPMF-WDEREUQCSA-N -1 1 330.410 1.916 20 5 EDBDMM NC(=O)[C@H]1CCO[C@@H]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339176875 445074445 /nfs/dbraw/zinc/07/44/45/445074445.db2.gz UMOOGEIEJDHGJH-GOEBONIOSA-N -1 1 349.387 1.403 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000354486649 445259131 /nfs/dbraw/zinc/25/91/31/445259131.db2.gz MTDCROUCJLKCEW-GFCCVEGCSA-N -1 1 334.781 1.953 20 5 EDBDMM O=C(NCCCN1CCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000353508964 445635116 /nfs/dbraw/zinc/63/51/16/445635116.db2.gz XSXPABOWYOLCGW-UHFFFAOYSA-N -1 1 342.355 1.878 20 5 EDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F ZINC000349969597 445737511 /nfs/dbraw/zinc/73/75/11/445737511.db2.gz ILELLDGWAAROMG-SECBINFHSA-N -1 1 328.268 1.186 20 5 EDBDMM Cn1cc(C[C@@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cn1 ZINC000373078591 446012561 /nfs/dbraw/zinc/01/25/61/446012561.db2.gz GBJBXUWOWJFBBH-JTQLQIEISA-N -1 1 331.332 1.134 20 5 EDBDMM CNC(=O)c1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000361983229 446127551 /nfs/dbraw/zinc/12/75/51/446127551.db2.gz MVVLUQKDVZLPNF-UHFFFAOYSA-N -1 1 344.327 1.327 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000373601584 446278211 /nfs/dbraw/zinc/27/82/11/446278211.db2.gz AFIJZQLKRWBKDH-ZUZCIYMTSA-N -1 1 337.332 1.106 20 5 EDBDMM COc1c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000425310400 447106995 /nfs/dbraw/zinc/10/69/95/447106995.db2.gz XAVXJFLHLGUHJM-VIFPVBQESA-N -1 1 348.315 1.712 20 5 EDBDMM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445176437 447178066 /nfs/dbraw/zinc/17/80/66/447178066.db2.gz UUXCLEGXHRVQKZ-NSHDSACASA-N -1 1 336.348 1.072 20 5 EDBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000451029411 447656221 /nfs/dbraw/zinc/65/62/21/447656221.db2.gz QXXUVGSHIOSWJC-UHFFFAOYSA-N -1 1 327.322 1.085 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1c[nH]c2ccccc12 ZINC000530666480 447936820 /nfs/dbraw/zinc/93/68/20/447936820.db2.gz CTMFPOWPFRUDNW-UHFFFAOYSA-N -1 1 346.368 1.992 20 5 EDBDMM Cc1cc(NC[C@@H](C)CN2CCOCC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000570399565 448003850 /nfs/dbraw/zinc/00/38/50/448003850.db2.gz ICCTUHSQMFNLLD-LLVKDONJSA-N -1 1 337.376 1.982 20 5 EDBDMM O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cn1 ZINC000541904499 448702500 /nfs/dbraw/zinc/70/25/00/448702500.db2.gz ZDSQODGZXNMLPX-UHFFFAOYSA-N -1 1 342.290 2.090 20 5 EDBDMM C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000587415961 448837455 /nfs/dbraw/zinc/83/74/55/448837455.db2.gz IXMMJNDORVDOEF-IMTBSYHQSA-N -1 1 335.238 1.487 20 5 EDBDMM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547813848 448934721 /nfs/dbraw/zinc/93/47/21/448934721.db2.gz ZZSISZWOEUKXBR-NWDGAFQWSA-N -1 1 343.405 1.862 20 5 EDBDMM Cc1c(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000600869986 449578256 /nfs/dbraw/zinc/57/82/56/449578256.db2.gz PDLYNOBIIDXZJN-UHFFFAOYSA-N -1 1 335.360 1.524 20 5 EDBDMM CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598775130 449594798 /nfs/dbraw/zinc/59/47/98/449594798.db2.gz ABKAHXOATBVJNL-JTQLQIEISA-N -1 1 336.348 1.072 20 5 EDBDMM CCOc1ccccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599217467 449807143 /nfs/dbraw/zinc/80/71/43/449807143.db2.gz GEUWAUGBJYWUTA-UHFFFAOYSA-N -1 1 340.361 1.206 20 5 EDBDMM Cn1nc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c2ccccc21 ZINC000618391687 450191015 /nfs/dbraw/zinc/19/10/15/450191015.db2.gz HIJCVMCJRBLRFW-UHFFFAOYSA-N -1 1 327.300 1.512 20 5 EDBDMM CCOC(=O)c1nc(CNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)n[n-]1 ZINC000615920392 450272452 /nfs/dbraw/zinc/27/24/52/450272452.db2.gz RODMHKHWRWSNGP-UHFFFAOYSA-N -1 1 347.331 1.382 20 5 EDBDMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(CC)c([N+](=O)[O-])c2)n1 ZINC000615920392 450272457 /nfs/dbraw/zinc/27/24/57/450272457.db2.gz RODMHKHWRWSNGP-UHFFFAOYSA-N -1 1 347.331 1.382 20 5 EDBDMM CCOC(=O)c1nc(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]1 ZINC000615916551 450269635 /nfs/dbraw/zinc/26/96/35/450269635.db2.gz CRENZDDYKTVTEG-UHFFFAOYSA-N -1 1 347.331 1.139 20 5 EDBDMM CCOC(=O)c1n[n-]c(CNC(=O)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000615916551 450269638 /nfs/dbraw/zinc/26/96/38/450269638.db2.gz CRENZDDYKTVTEG-UHFFFAOYSA-N -1 1 347.331 1.139 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000737039046 579042594 /nfs/dbraw/zinc/04/25/94/579042594.db2.gz NDWABKDJRKWWGR-VIFPVBQESA-N -1 1 336.348 1.597 20 5 EDBDMM O=C([O-])N1CCC[C@@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000739388963 579199338 /nfs/dbraw/zinc/19/93/38/579199338.db2.gz RJTQFWBOACPSGY-MRVPVSSYSA-N -1 1 333.304 1.343 20 5 EDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000747617564 579650994 /nfs/dbraw/zinc/65/09/94/579650994.db2.gz QRIOPBTWBPZNQG-UHFFFAOYSA-N -1 1 339.333 1.007 20 5 EDBDMM CC(C)Cn1[nH]c(CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1=O ZINC000751361628 579802963 /nfs/dbraw/zinc/80/29/63/579802963.db2.gz BBVFTGSPHOEYLN-UHFFFAOYSA-N -1 1 334.332 1.627 20 5 EDBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000754882787 579915138 /nfs/dbraw/zinc/91/51/38/579915138.db2.gz FZIGNTCCOXRNDE-SNVBAGLBSA-N -1 1 346.336 1.354 20 5 EDBDMM CS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)[n-]1 ZINC000768710515 580218851 /nfs/dbraw/zinc/21/88/51/580218851.db2.gz VXDLDDVYXFWDLZ-UHFFFAOYSA-N -1 1 345.724 1.022 20 5 EDBDMM CS(=O)(=O)c1nc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n[n-]1 ZINC000768710515 580218852 /nfs/dbraw/zinc/21/88/52/580218852.db2.gz VXDLDDVYXFWDLZ-UHFFFAOYSA-N -1 1 345.724 1.022 20 5 EDBDMM C[C@](CO)([N-]S(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000768848771 580222325 /nfs/dbraw/zinc/22/23/25/580222325.db2.gz PPHBBPUUVSOYSQ-CYBMUJFWSA-N -1 1 342.398 1.842 20 5 EDBDMM CCC[C@H](NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000778313571 580461695 /nfs/dbraw/zinc/46/16/95/580461695.db2.gz JPPMBPJLNCIKHK-JTQLQIEISA-N -1 1 340.290 1.857 20 5 EDBDMM CCOC(=O)CCC(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000791417569 580792094 /nfs/dbraw/zinc/79/20/94/580792094.db2.gz HWIRYNOFHZKEMH-UHFFFAOYSA-N -1 1 325.273 1.370 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000907470344 592651655 /nfs/dbraw/zinc/65/16/55/592651655.db2.gz RSKOYPXPYAAPDW-JQWIXIFHSA-N -1 1 344.364 1.970 20 5 EDBDMM O=c1c(-c2nn[n-]n2)cccn1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000823657899 593827571 /nfs/dbraw/zinc/82/75/71/593827571.db2.gz WKYPWYCJAKJBFB-UHFFFAOYSA-N -1 1 332.707 1.638 20 5 EDBDMM COC(=O)c1cccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821670246 593905135 /nfs/dbraw/zinc/90/51/35/593905135.db2.gz ULSNKCGJHKKZTB-UHFFFAOYSA-N -1 1 342.271 1.749 20 5 EDBDMM COC(=O)c1cccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821670246 593905137 /nfs/dbraw/zinc/90/51/37/593905137.db2.gz ULSNKCGJHKKZTB-UHFFFAOYSA-N -1 1 342.271 1.749 20 5 EDBDMM CCN(CC)C(=S)Sc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821175086 593983424 /nfs/dbraw/zinc/98/34/24/593983424.db2.gz CHRKAMWUABNYFT-UHFFFAOYSA-N -1 1 339.406 1.889 20 5 EDBDMM CCN(CC)C(=S)Sc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821175086 593983425 /nfs/dbraw/zinc/98/34/25/593983425.db2.gz CHRKAMWUABNYFT-UHFFFAOYSA-N -1 1 339.406 1.889 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000824453533 594015708 /nfs/dbraw/zinc/01/57/08/594015708.db2.gz OFJMJXCTILUDGE-IUCAKERBSA-N -1 1 339.352 1.654 20 5 EDBDMM CCOC(=O)c1cnn(Cc2ccc([N+](=O)[O-])cc2)c1-c1nn[n-]n1 ZINC000825570694 594201973 /nfs/dbraw/zinc/20/19/73/594201973.db2.gz NDKKEMOLJJEYCR-UHFFFAOYSA-N -1 1 343.303 1.196 20 5 EDBDMM C[C@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@H]1C(=O)[O-] ZINC000828433715 594419016 /nfs/dbraw/zinc/41/90/16/594419016.db2.gz YISPHYCHHIITPZ-GXFFZTMASA-N -1 1 333.344 1.136 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOc1ncccc1F ZINC000826497292 594502222 /nfs/dbraw/zinc/50/22/22/594502222.db2.gz BMOMWTQWFDRUIT-UHFFFAOYSA-N -1 1 346.282 1.195 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOc1ncccc1F ZINC000826497292 594502224 /nfs/dbraw/zinc/50/22/24/594502224.db2.gz BMOMWTQWFDRUIT-UHFFFAOYSA-N -1 1 346.282 1.195 20 5 EDBDMM Cc1ccc(NC(=O)Cc2sc(N3CCC3)nc2[O-])c([N+](=O)[O-])c1 ZINC000840702154 594811790 /nfs/dbraw/zinc/81/17/90/594811790.db2.gz PAQXBAYSGFYRSH-GFCCVEGCSA-N -1 1 348.384 1.936 20 5 EDBDMM O=C([O-])NC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000834155500 595032652 /nfs/dbraw/zinc/03/26/52/595032652.db2.gz JBZDXURELVXVDG-UHFFFAOYSA-N -1 1 347.324 1.203 20 5 EDBDMM O=C([O-])/C=C/c1ccc(NCCN2CCCOCC2)c([N+](=O)[O-])c1 ZINC000844211825 595303484 /nfs/dbraw/zinc/30/34/84/595303484.db2.gz HUPPALXJNYCBRQ-HWKANZROSA-N -1 1 335.360 1.827 20 5 EDBDMM C[C@@H]([N-]C(=O)C(F)(F)Oc1cccc([N+](=O)[O-])c1)C(=O)NCCF ZINC000848592121 595412072 /nfs/dbraw/zinc/41/20/72/595412072.db2.gz XGMPVBOKMBUEJV-MRVPVSSYSA-N -1 1 349.265 1.157 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000849470738 595543923 /nfs/dbraw/zinc/54/39/23/595543923.db2.gz HTIDRLFAQTZFQE-WDEREUQCSA-N -1 1 330.337 1.316 20 5 EDBDMM C[C@@H](C(=O)[N-]OCCN1CCCC1=O)c1ccc([N+](=O)[O-])cc1F ZINC000856042540 595883165 /nfs/dbraw/zinc/88/31/65/595883165.db2.gz IMFBXTCRLWXFHR-SNVBAGLBSA-N -1 1 339.323 1.508 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)cc1F ZINC000867565515 596433911 /nfs/dbraw/zinc/43/39/11/596433911.db2.gz VREFQUHXULPUQR-GWCFXTLKSA-N -1 1 344.364 1.888 20 5 EDBDMM O=[N+]([O-])c1ccc(OCCNc2nccnc2-c2nnn[n-]2)cc1 ZINC000738367345 598594597 /nfs/dbraw/zinc/59/45/97/598594597.db2.gz RECUBJGWVOKOBA-UHFFFAOYSA-N -1 1 328.292 1.056 20 5 EDBDMM O=[N+]([O-])c1ccc(OCCNc2nccnc2-c2nn[n-]n2)cc1 ZINC000738367345 598594599 /nfs/dbraw/zinc/59/45/99/598594599.db2.gz RECUBJGWVOKOBA-UHFFFAOYSA-N -1 1 328.292 1.056 20 5 EDBDMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000921499110 700452750 /nfs/dbraw/zinc/45/27/50/700452750.db2.gz RZXKINZBMNZUSW-RCOVLWMOSA-N -1 1 338.744 1.701 20 5 EDBDMM Nc1c(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc(F)cc1[N+](=O)[O-] ZINC000102889506 219239023 /nfs/dbraw/zinc/23/90/23/219239023.db2.gz CQQDJGWSKBFKLI-UHFFFAOYSA-N -1 1 334.189 1.705 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000416654856 251097739 /nfs/dbraw/zinc/09/77/39/251097739.db2.gz VMENEVROSRQJDW-NXEZZACHSA-N -1 1 330.410 1.914 20 5 EDBDMM C[C@H](CO)CCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270203780 140059393 /nfs/dbraw/zinc/05/93/93/140059393.db2.gz COXAWPKNDBOWGX-VIFPVBQESA-N -1 1 336.797 1.935 20 5 EDBDMM O=C(COc1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000345558820 143105618 /nfs/dbraw/zinc/10/56/18/143105618.db2.gz YYHWYDPXTQTYLU-UHFFFAOYSA-N -1 1 332.320 1.072 20 5 EDBDMM O=C([O-])[C@@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000367837789 154290927 /nfs/dbraw/zinc/29/09/27/154290927.db2.gz VUZFAXBBCYWITD-RVMXOQNASA-N -1 1 338.747 1.632 20 5 EDBDMM NC(=O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064244904 287239453 /nfs/dbraw/zinc/23/94/53/287239453.db2.gz BDOBFLGXRGPJMW-LLVKDONJSA-N -1 1 341.370 1.161 20 5 EDBDMM O=C([O-])[C@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000164656009 226091923 /nfs/dbraw/zinc/09/19/23/226091923.db2.gz OZDAJLFCZCYZOI-LBPRGKRZSA-N -1 1 333.344 1.281 20 5 EDBDMM CCCC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000273692717 268072152 /nfs/dbraw/zinc/07/21/52/268072152.db2.gz BOPXIJOBYCDIHF-SNVBAGLBSA-N -1 1 348.352 1.744 20 5 EDBDMM O=C([O-])c1c(NS(=O)(=O)C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000275020179 268266115 /nfs/dbraw/zinc/26/61/15/268266115.db2.gz OOMBXJDPICNDCX-VIFPVBQESA-N -1 1 344.345 1.604 20 5 EDBDMM CCOC(=O)C1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000277865587 273232007 /nfs/dbraw/zinc/23/20/07/273232007.db2.gz LMFRHNVUHMTPSZ-UHFFFAOYSA-N -1 1 337.332 1.547 20 5 EDBDMM Cn1nccc1[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000282126719 273592211 /nfs/dbraw/zinc/59/22/11/273592211.db2.gz PDYQOHVJLQMYCM-GFCCVEGCSA-N -1 1 331.332 1.796 20 5 EDBDMM C[C@@H](O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290674273 288934808 /nfs/dbraw/zinc/93/48/08/288934808.db2.gz GQFJOIPYEZIYAS-ZCFIWIBFSA-N -1 1 326.733 1.437 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293966704 303045552 /nfs/dbraw/zinc/04/55/52/303045552.db2.gz BHLMEIKDSZGADV-CYBMUJFWSA-N -1 1 333.344 1.727 20 5 EDBDMM CCC[C@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000295070203 303169717 /nfs/dbraw/zinc/16/97/17/303169717.db2.gz VWVCFGMFVREITK-LBPRGKRZSA-N -1 1 346.347 1.728 20 5 EDBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H](C(F)(F)F)O1 ZINC000295227090 303191263 /nfs/dbraw/zinc/19/12/63/303191263.db2.gz BULFAMAYLHDQDB-SECBINFHSA-N -1 1 349.265 1.877 20 5 EDBDMM O=C(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCCCC1 ZINC000299609174 303636807 /nfs/dbraw/zinc/63/68/07/303636807.db2.gz XIOHXUGQSQOHMW-UHFFFAOYSA-N -1 1 336.348 1.218 20 5 EDBDMM CN(CCCOc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000031365076 441523204 /nfs/dbraw/zinc/52/32/04/441523204.db2.gz LLIVVSVYHIAOKD-UHFFFAOYSA-N -1 1 331.328 1.824 20 5 EDBDMM C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@H]1n1ccnc1 ZINC000125683076 442041192 /nfs/dbraw/zinc/04/11/92/442041192.db2.gz CZETVDMVRPEXDX-ZWNOBZJWSA-N -1 1 331.332 1.615 20 5 EDBDMM Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc12 ZINC000126702028 442136458 /nfs/dbraw/zinc/13/64/58/442136458.db2.gz IIMPXDKKKOJFIB-UHFFFAOYSA-N -1 1 327.300 1.582 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(Cc2ccccn2)CC1 ZINC000128894517 442294054 /nfs/dbraw/zinc/29/40/54/442294054.db2.gz GXTPUXZXEBGOLZ-UHFFFAOYSA-N -1 1 343.343 1.048 20 5 EDBDMM Cn1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000193745568 442777817 /nfs/dbraw/zinc/77/78/17/442777817.db2.gz DQJUPMHOZZKJLP-UHFFFAOYSA-N -1 1 345.237 1.378 20 5 EDBDMM CSC1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCOCC1 ZINC000266576828 443173648 /nfs/dbraw/zinc/17/36/48/443173648.db2.gz TWIYBOJJDQPZGO-UHFFFAOYSA-N -1 1 327.362 1.337 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000416382896 319420218 /nfs/dbraw/zinc/42/02/18/319420218.db2.gz KKJRHEQXJNNYNM-VIFPVBQESA-N -1 1 340.361 1.943 20 5 EDBDMM Cn1cc([C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(F)(F)F)cn1 ZINC000278416194 443323944 /nfs/dbraw/zinc/32/39/44/443323944.db2.gz SKXNAWSSJYLATA-VIFPVBQESA-N -1 1 345.237 1.462 20 5 EDBDMM COCCOCCS(=O)(=O)[N-]c1ccc(OC)c([N+](=O)[O-])c1 ZINC000272880641 443476952 /nfs/dbraw/zinc/47/69/52/443476952.db2.gz GVUHVYYNTPQRAF-UHFFFAOYSA-N -1 1 334.350 1.008 20 5 EDBDMM CCOC(=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000267538347 443489677 /nfs/dbraw/zinc/48/96/77/443489677.db2.gz OKBWBOLSGPGGHN-UHFFFAOYSA-N -1 1 336.753 1.480 20 5 EDBDMM O=C([N-]N1CCCNC1=O)c1ccc([N+](=O)[O-])cc1Br ZINC000273130404 443545113 /nfs/dbraw/zinc/54/51/13/443545113.db2.gz UXOXRGNJIHQVSY-UHFFFAOYSA-N -1 1 343.137 1.417 20 5 EDBDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@@H]1n1cccn1 ZINC000452160575 320245119 /nfs/dbraw/zinc/24/51/19/320245119.db2.gz CWPSEFIJUOJDDD-XQQFMLRXSA-N -1 1 347.331 1.040 20 5 EDBDMM CC(C)[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000285208414 443895543 /nfs/dbraw/zinc/89/55/43/443895543.db2.gz DLDHWTIAULHASV-GFCCVEGCSA-N -1 1 349.796 1.427 20 5 EDBDMM CN(C[C@@H](O)Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000293567787 444056605 /nfs/dbraw/zinc/05/66/05/444056605.db2.gz DJUYHNCUSWEMMD-ZDUSSCGKSA-N -1 1 331.328 1.371 20 5 EDBDMM CCOCCN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000571925893 321406877 /nfs/dbraw/zinc/40/68/77/321406877.db2.gz FJJDFEZAGVGLLI-UHFFFAOYSA-N -1 1 337.376 1.760 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CCOC)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000337959399 444471979 /nfs/dbraw/zinc/47/19/79/444471979.db2.gz GUOSAIWUVFGSBY-NSHDSACASA-N -1 1 348.425 1.541 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)CC2CCCC2)c([N+](=O)[O-])n1 ZINC000338019232 444487964 /nfs/dbraw/zinc/48/79/64/444487964.db2.gz CEWKSDAQMPYVNJ-LLVKDONJSA-N -1 1 346.409 1.031 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cccc3cc[nH]c32)c([N+](=O)[O-])n1 ZINC000342150641 444535991 /nfs/dbraw/zinc/53/59/91/444535991.db2.gz NZBRGRYGZDFVBT-UHFFFAOYSA-N -1 1 349.372 1.771 20 5 EDBDMM CC(C)(C)[C@H]1NC(=O)CC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000344018342 444730939 /nfs/dbraw/zinc/73/09/39/444730939.db2.gz XLNVXAOMLWNVMB-CABZTGNLSA-N -1 1 336.348 1.119 20 5 EDBDMM C[S@@](=O)Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000344066261 444761769 /nfs/dbraw/zinc/76/17/69/444761769.db2.gz BERLKXJKVQUIJZ-XMMPIXPASA-N -1 1 349.368 1.504 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCC2(COC)CCC2)c([N+](=O)[O-])n1 ZINC000339009894 444982987 /nfs/dbraw/zinc/98/29/87/444982987.db2.gz GKBVPTWRWZHZFD-UHFFFAOYSA-N -1 1 346.409 1.296 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)OC2(C)C)c([N+](=O)[O-])n1 ZINC000330686999 445096318 /nfs/dbraw/zinc/09/63/18/445096318.db2.gz BLWBQIWIOOHTCO-JTQLQIEISA-N -1 1 346.409 1.436 20 5 EDBDMM Cn1[n-]c(COc2c(Br)cccc2[N+](=O)[O-])nc1=O ZINC000351670397 445265447 /nfs/dbraw/zinc/26/54/47/445265447.db2.gz CSPJCOPBDLMUPF-UHFFFAOYSA-N -1 1 329.110 1.358 20 5 EDBDMM O=C(NCCCOCC1CCOCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000354675911 445335985 /nfs/dbraw/zinc/33/59/85/445335985.db2.gz NCXDUFJNIROVPY-UHFFFAOYSA-N -1 1 339.348 1.259 20 5 EDBDMM C[C@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360129065 445583473 /nfs/dbraw/zinc/58/34/73/445583473.db2.gz BTUIFCJJTRXZCO-WCBMZHEXSA-N -1 1 331.419 1.417 20 5 EDBDMM COC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000358821842 445792916 /nfs/dbraw/zinc/79/29/16/445792916.db2.gz ZOQLVWMLBIXWAQ-JTQLQIEISA-N -1 1 342.295 1.841 20 5 EDBDMM C[C@@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C(=O)[O-] ZINC000583262670 326037942 /nfs/dbraw/zinc/03/79/42/326037942.db2.gz CFHSVFMCIGQGPX-BXUZGUMPSA-N -1 1 335.360 1.600 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@H]1Cn1cccn1 ZINC000369322055 446073646 /nfs/dbraw/zinc/07/36/46/446073646.db2.gz PEASIZCRZONLBS-LBPRGKRZSA-N -1 1 331.332 1.587 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(C2CCOCC2)CC1 ZINC000365768644 446335853 /nfs/dbraw/zinc/33/58/53/446335853.db2.gz HWPNHSCVPOAWEB-UHFFFAOYSA-N -1 1 335.360 1.974 20 5 EDBDMM Nc1nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ncc1[N+](=O)[O-] ZINC000372211851 447027244 /nfs/dbraw/zinc/02/72/44/447027244.db2.gz NGRBKWKJMDHXIA-UHFFFAOYSA-N -1 1 343.343 1.772 20 5 EDBDMM CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000444967918 447151589 /nfs/dbraw/zinc/15/15/89/447151589.db2.gz RQCVTLGJOXSBAI-LBPRGKRZSA-N -1 1 345.359 1.760 20 5 EDBDMM Cc1n[nH]cc1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000375964570 447178112 /nfs/dbraw/zinc/17/81/12/447178112.db2.gz NXTKCYCGRABCDY-UHFFFAOYSA-N -1 1 331.332 1.747 20 5 EDBDMM COc1ccc(CC(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000522928191 447863771 /nfs/dbraw/zinc/86/37/71/447863771.db2.gz ZMARZGNGSBPFHP-UHFFFAOYSA-N -1 1 346.347 1.245 20 5 EDBDMM C[C@@H](CN(C)C(=O)C=Cc1ccc(F)cc1[N+](=O)[O-])c1nn[n-]n1 ZINC000492646157 448241744 /nfs/dbraw/zinc/24/17/44/448241744.db2.gz LCIVPQMIKOSTPO-RNEXMXFGSA-N -1 1 334.311 1.522 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)n1 ZINC000591302741 448314195 /nfs/dbraw/zinc/31/41/95/448314195.db2.gz YNHLQIBOECSEDJ-UHFFFAOYSA-N -1 1 336.308 1.065 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000532932693 448335341 /nfs/dbraw/zinc/33/53/41/448335341.db2.gz NXPBFEPLKWHONC-NWANDNLSSA-N -1 1 345.380 1.997 20 5 EDBDMM CC(C)CN1CCO[C@H](CNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C1 ZINC000578537028 448573936 /nfs/dbraw/zinc/57/39/36/448573936.db2.gz UIDTYSJTLFJXIP-LLVKDONJSA-N -1 1 338.364 1.457 20 5 EDBDMM C[C@@H]1CN(CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000584843001 448653177 /nfs/dbraw/zinc/65/31/77/448653177.db2.gz LIQHXTSNYDWIMQ-PHIMTYICSA-N -1 1 338.364 1.599 20 5 EDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000518532965 448689802 /nfs/dbraw/zinc/68/98/02/448689802.db2.gz HJVYVMCCQOFAOK-UHIISALHSA-N -1 1 335.360 1.964 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCO[C@H](C2CC2)C1 ZINC000545201682 448776927 /nfs/dbraw/zinc/77/69/27/448776927.db2.gz RWNYVBVGQQDSHV-QWRGUYRKSA-N -1 1 327.362 1.226 20 5 EDBDMM O=c1cnc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2[nH]1 ZINC000521757612 449012113 /nfs/dbraw/zinc/01/21/13/449012113.db2.gz WPQDEQQJUXSXMU-UHFFFAOYSA-N -1 1 346.324 1.632 20 5 EDBDMM COC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000598064159 449225830 /nfs/dbraw/zinc/22/58/30/449225830.db2.gz MNLPASREBDYLME-CYBMUJFWSA-N -1 1 347.327 1.822 20 5 EDBDMM CC[C@H](CN1CCCC1)NS(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593557443 449347791 /nfs/dbraw/zinc/34/77/91/449347791.db2.gz DYTWRYUJRWITGG-LLVKDONJSA-N -1 1 328.394 1.143 20 5 EDBDMM C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000598750781 449580343 /nfs/dbraw/zinc/58/03/43/449580343.db2.gz BTGMVVCCVJVQQR-FQOARCPFSA-N -1 1 327.362 1.115 20 5 EDBDMM C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598764253 449589579 /nfs/dbraw/zinc/58/95/79/449589579.db2.gz OSZOAWUKNBVPGF-JMKBFGIESA-N -1 1 327.362 1.115 20 5 EDBDMM CC1(C)Cc2n[nH]cc2CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598777870 449597791 /nfs/dbraw/zinc/59/77/91/449597791.db2.gz XKFWNGKCQFIXKB-UHFFFAOYSA-N -1 1 331.332 1.643 20 5 EDBDMM COc1cccc(C2([N-]S(=O)(=O)c3ncccc3[N+](=O)[O-])CC2)c1 ZINC000594757411 449671985 /nfs/dbraw/zinc/67/19/85/449671985.db2.gz CRPJUIMFTNMOMP-UHFFFAOYSA-N -1 1 349.368 1.966 20 5 EDBDMM CCCc1n[nH]c(C(=O)N2CCC(CCC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000595283873 449999966 /nfs/dbraw/zinc/99/99/66/449999966.db2.gz YZYJBMVEYFUTBL-UHFFFAOYSA-N -1 1 338.364 1.987 20 5 EDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000610087850 450138419 /nfs/dbraw/zinc/13/84/19/450138419.db2.gz LCJBLZADHWIVIN-SECBINFHSA-N -1 1 336.391 1.522 20 5 EDBDMM CN(C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cs1 ZINC000610471229 450232872 /nfs/dbraw/zinc/23/28/72/450232872.db2.gz XOSCLPDDBRXRTP-UHFFFAOYSA-N -1 1 348.431 1.657 20 5 EDBDMM C[C@H](Cn1ccnc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299053028 524792478 /nfs/dbraw/zinc/79/24/78/524792478.db2.gz HZJHJFPAWDDEPZ-SECBINFHSA-N -1 1 328.325 1.297 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000187317739 527526464 /nfs/dbraw/zinc/52/64/64/527526464.db2.gz OHUTWERWXXLYCH-RJCSOLBVSA-N -1 1 330.348 1.773 20 5 EDBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738117005 579161490 /nfs/dbraw/zinc/16/14/90/579161490.db2.gz NFKHTAISEQFUGG-UHFFFAOYSA-N -1 1 325.288 1.100 20 5 EDBDMM O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738117005 579161491 /nfs/dbraw/zinc/16/14/91/579161491.db2.gz NFKHTAISEQFUGG-UHFFFAOYSA-N -1 1 325.288 1.100 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739376832 579198065 /nfs/dbraw/zinc/19/80/65/579198065.db2.gz YQCTWCJHPJPDOZ-VIFPVBQESA-N -1 1 339.352 1.390 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(C)cccc2F)c([N+](=O)[O-])n1 ZINC000754814941 579913238 /nfs/dbraw/zinc/91/32/38/579913238.db2.gz MDEQWECIXVFPTK-UHFFFAOYSA-N -1 1 342.352 1.737 20 5 EDBDMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000754881585 579915119 /nfs/dbraw/zinc/91/51/19/579915119.db2.gz BGAXSYMJLGYLTM-MRVPVSSYSA-N -1 1 334.375 1.276 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C ZINC000763350190 580098401 /nfs/dbraw/zinc/09/84/01/580098401.db2.gz YNQQQMGPJFRAFP-SSDOTTSWSA-N -1 1 336.391 1.665 20 5 EDBDMM CCO[C@H](C)c1nccn1CC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000764959188 580132035 /nfs/dbraw/zinc/13/20/35/580132035.db2.gz BAGLDPWTHONJMF-LLVKDONJSA-N -1 1 346.343 1.845 20 5 EDBDMM C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000780067369 580510868 /nfs/dbraw/zinc/51/08/68/580510868.db2.gz GIYGXLLVJALZSA-NOZJJQNGSA-N -1 1 338.316 1.141 20 5 EDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)NC(C1CC1)C1CC1 ZINC000780071733 580511225 /nfs/dbraw/zinc/51/12/25/580511225.db2.gz KGRLDXOQUKHYEE-UHFFFAOYSA-N -1 1 334.328 1.762 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2cc([N+](=O)[O-])cnc2N)c1 ZINC000781663856 580554043 /nfs/dbraw/zinc/55/40/43/580554043.db2.gz UDGCJTPGJGYZOQ-UHFFFAOYSA-N -1 1 345.311 1.880 20 5 EDBDMM O=C([N-]CC1CCN(c2cccnc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000798404330 580996396 /nfs/dbraw/zinc/99/63/96/580996396.db2.gz PTVGJOGKLFQWHH-UHFFFAOYSA-N -1 1 332.282 1.885 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)c3cc(F)c([N+](=O)[O-])cc3F)ccnc1-2 ZINC000801702918 581082880 /nfs/dbraw/zinc/08/28/80/581082880.db2.gz XUQYJXWJEJAACP-UHFFFAOYSA-N -1 1 333.254 1.781 20 5 EDBDMM O=C([N-]C[C@H]1CCCN(Cn2cc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000811786802 593482087 /nfs/dbraw/zinc/48/20/87/593482087.db2.gz XPBSGVOGYNIEPF-SECBINFHSA-N -1 1 335.286 1.139 20 5 EDBDMM COCC1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000815025794 593610647 /nfs/dbraw/zinc/61/06/47/593610647.db2.gz YKWFSZZVMLXUFL-UHFFFAOYSA-N -1 1 338.744 1.845 20 5 EDBDMM CCn1cc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821565053 593865570 /nfs/dbraw/zinc/86/55/70/593865570.db2.gz BJLWFJSGJNUYBF-UHFFFAOYSA-N -1 1 329.324 1.023 20 5 EDBDMM CCn1cc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821565053 593865571 /nfs/dbraw/zinc/86/55/71/593865571.db2.gz BJLWFJSGJNUYBF-UHFFFAOYSA-N -1 1 329.324 1.023 20 5 EDBDMM Nc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822907195 594120301 /nfs/dbraw/zinc/12/03/01/594120301.db2.gz ATQJQTATZIIILI-UHFFFAOYSA-N -1 1 332.305 1.066 20 5 EDBDMM Nc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822907195 594120302 /nfs/dbraw/zinc/12/03/02/594120302.db2.gz ATQJQTATZIIILI-UHFFFAOYSA-N -1 1 332.305 1.066 20 5 EDBDMM CCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825276032 594159972 /nfs/dbraw/zinc/15/99/72/594159972.db2.gz NHVDUYUVAJOPTF-UHFFFAOYSA-N -1 1 340.365 1.243 20 5 EDBDMM CN(C(=O)[O-])[C@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000827883093 594297263 /nfs/dbraw/zinc/29/72/63/594297263.db2.gz VYUXMOXHYFURGE-QWHCGFSZSA-N -1 1 339.348 1.019 20 5 EDBDMM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826396025 594459112 /nfs/dbraw/zinc/45/91/12/594459112.db2.gz CVAAWJIIWKIENO-UHFFFAOYSA-N -1 1 341.287 1.109 20 5 EDBDMM Nc1cccc([N+](=O)[O-])c1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826396025 594459115 /nfs/dbraw/zinc/45/91/15/594459115.db2.gz CVAAWJIIWKIENO-UHFFFAOYSA-N -1 1 341.287 1.109 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1ccc(CO)cc1 ZINC000826497289 594501980 /nfs/dbraw/zinc/50/19/80/594501980.db2.gz BAYWAJFJYFHEFJ-UHFFFAOYSA-N -1 1 330.329 1.813 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1ccc(CO)cc1 ZINC000826497289 594501982 /nfs/dbraw/zinc/50/19/82/594501982.db2.gz BAYWAJFJYFHEFJ-UHFFFAOYSA-N -1 1 330.329 1.813 20 5 EDBDMM CCN1C[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1=O ZINC000832257318 594738443 /nfs/dbraw/zinc/73/84/43/594738443.db2.gz GYVIZBKUBZXBEJ-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM CCc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)co1 ZINC000832473661 594752803 /nfs/dbraw/zinc/75/28/03/594752803.db2.gz PHHOGEIVFGCNFP-UHFFFAOYSA-N -1 1 329.309 1.763 20 5 EDBDMM CNC(=O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832483195 594753596 /nfs/dbraw/zinc/75/35/96/594753596.db2.gz GFAPIJKGQVSAQM-ZETCQYMHSA-N -1 1 335.769 1.051 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](O)C1CCC1 ZINC000832653977 594766973 /nfs/dbraw/zinc/76/69/73/594766973.db2.gz ICMQDNAOAYDCRQ-NSHDSACASA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC000833618250 594886823 /nfs/dbraw/zinc/88/68/23/594886823.db2.gz MORQDDIPBVYSIS-WXJAXGNASA-N -1 1 347.371 1.615 20 5 EDBDMM C[C@@H]1CN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC000833618248 594886998 /nfs/dbraw/zinc/88/69/98/594886998.db2.gz MORQDDIPBVYSIS-LLPBQKLSSA-N -1 1 347.371 1.615 20 5 EDBDMM CCN1C[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000833658348 594899878 /nfs/dbraw/zinc/89/98/78/594899878.db2.gz RKMZOGOQQVEEPA-QWRGUYRKSA-N -1 1 335.360 1.848 20 5 EDBDMM CCNC(=O)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841531365 594916249 /nfs/dbraw/zinc/91/62/49/594916249.db2.gz RANLLHDCRKCETO-UHFFFAOYSA-N -1 1 349.796 1.441 20 5 EDBDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@H]2C)ccc1[N+](=O)[O-] ZINC000833741947 594920272 /nfs/dbraw/zinc/92/02/72/594920272.db2.gz DBRYADRDGJSVLQ-GFCCVEGCSA-N -1 1 335.360 1.524 20 5 EDBDMM O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000834216428 595058090 /nfs/dbraw/zinc/05/80/90/595058090.db2.gz RMXGSMCOUHYTQO-TVQRCGJNSA-N -1 1 337.332 1.857 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H](O)c1ccccc1 ZINC000120818364 596730870 /nfs/dbraw/zinc/73/08/70/596730870.db2.gz FJCKHQOLQSKWCS-GFCCVEGCSA-N -1 1 340.332 1.746 20 5 EDBDMM COc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738028467 600377188 /nfs/dbraw/zinc/37/71/88/600377188.db2.gz RQGFFWWVJPNRCJ-VIFPVBQESA-N -1 1 325.321 1.194 20 5 EDBDMM CCN(CC)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000920762067 697476152 /nfs/dbraw/zinc/47/61/52/697476152.db2.gz PYXYYMNNHWCDGT-UHFFFAOYSA-N -1 1 349.796 1.395 20 5 EDBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)Cn1cccn1 ZINC000066333526 138176732 /nfs/dbraw/zinc/17/67/32/138176732.db2.gz BSTIBSQIYPMDNO-SECBINFHSA-N -1 1 330.391 1.467 20 5 EDBDMM C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186874186 236049970 /nfs/dbraw/zinc/04/99/70/236049970.db2.gz GZQOOHNNBYNVNN-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187201002 236144207 /nfs/dbraw/zinc/14/42/07/236144207.db2.gz FJUTWNPOBPSJSP-AWEZNQCLSA-N -1 1 343.339 1.939 20 5 EDBDMM COCc1cc(C(=O)[N-]c2n[nH]c(-c3cccc([N+](=O)[O-])c3)n2)no1 ZINC000175994575 237323703 /nfs/dbraw/zinc/32/37/03/237323703.db2.gz VGRGKJGZCUPCNL-UHFFFAOYSA-N -1 1 344.287 1.767 20 5 EDBDMM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344821847 143015998 /nfs/dbraw/zinc/01/59/98/143015998.db2.gz HMMIGVQOOKGFJW-SECBINFHSA-N -1 1 336.797 1.791 20 5 EDBDMM Cc1cc([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)[nH]n1 ZINC000369737089 155156721 /nfs/dbraw/zinc/15/67/21/155156721.db2.gz RCWMTIWMYFYXSN-SNVBAGLBSA-N -1 1 331.332 1.747 20 5 EDBDMM CC(C)c1ncc2c(n1)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000369776052 155173633 /nfs/dbraw/zinc/17/36/33/155173633.db2.gz VJIZXQIQVOTUDQ-UHFFFAOYSA-N -1 1 343.343 1.807 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000352714962 149126917 /nfs/dbraw/zinc/12/69/17/149126917.db2.gz WBYYOHXYBXVPTL-QMMMGPOBSA-N -1 1 326.334 1.634 20 5 EDBDMM CC(C)CN1CCO[C@H](CNC(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000357340347 151001519 /nfs/dbraw/zinc/00/15/19/151001519.db2.gz AZVDCXQHECPQLM-GFCCVEGCSA-N -1 1 337.376 1.387 20 5 EDBDMM CCCOc1ncccc1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357907290 151191601 /nfs/dbraw/zinc/19/16/01/151191601.db2.gz BPEKMVFQQLQAOD-UHFFFAOYSA-N -1 1 332.316 1.809 20 5 EDBDMM O=C(Nc1ccc(F)c(N2C(=O)CNC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000358193039 151300331 /nfs/dbraw/zinc/30/03/31/151300331.db2.gz WXHSOCTTZCTTOZ-UHFFFAOYSA-N -1 1 347.262 1.371 20 5 EDBDMM COc1ccc(NC(=O)CNC(=O)c2ncccc2[O-])cc1[N+](=O)[O-] ZINC000360735824 152177085 /nfs/dbraw/zinc/17/70/85/152177085.db2.gz FHXACFSGPATWAX-UHFFFAOYSA-N -1 1 346.299 1.073 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367706228 154237353 /nfs/dbraw/zinc/23/73/53/154237353.db2.gz RCSWCEJVQZSKSB-MRXNPFEDSA-N -1 1 347.302 1.568 20 5 EDBDMM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293884687 303033569 /nfs/dbraw/zinc/03/35/69/303033569.db2.gz FYJUBNIONPRNOL-NSHDSACASA-N -1 1 346.318 1.843 20 5 EDBDMM CC(C)(C)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cc1[N+](=O)[O-] ZINC000430319479 305050489 /nfs/dbraw/zinc/05/04/89/305050489.db2.gz VZJJJMKCSAPDDB-UHFFFAOYSA-N -1 1 330.348 1.825 20 5 EDBDMM Cc1noc(C)c1C[C@H](C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000525189387 305823590 /nfs/dbraw/zinc/82/35/90/305823590.db2.gz LGCGGZQZKLJZSS-QMMMGPOBSA-N -1 1 340.361 1.504 20 5 EDBDMM Cc1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)cs1 ZINC000056090198 441688108 /nfs/dbraw/zinc/68/81/08/441688108.db2.gz OKNNSMFVGMBLIL-UHFFFAOYSA-N -1 1 331.350 1.977 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000188139252 442715433 /nfs/dbraw/zinc/71/54/33/442715433.db2.gz XQFMVJVKRKDUKZ-QMMMGPOBSA-N -1 1 328.288 1.229 20 5 EDBDMM CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193675057 442766509 /nfs/dbraw/zinc/76/65/09/442766509.db2.gz IMPAWKPHESUXNU-DEOSSOPVSA-N -1 1 349.368 1.705 20 5 EDBDMM CC(C)C(=O)NCCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000179044870 318452805 /nfs/dbraw/zinc/45/28/05/318452805.db2.gz IOUJECNGTFAHIZ-UHFFFAOYSA-N -1 1 335.407 1.097 20 5 EDBDMM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000282565837 443376618 /nfs/dbraw/zinc/37/66/18/443376618.db2.gz OOVTZWYKMUQQNK-CBAPKCEASA-N -1 1 347.780 1.194 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])OCC1CC1 ZINC000264759051 443410666 /nfs/dbraw/zinc/41/06/66/443410666.db2.gz OKJBUSCEIGJSRY-UHFFFAOYSA-N -1 1 348.764 1.480 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278838564 443457920 /nfs/dbraw/zinc/45/79/20/443457920.db2.gz VPYZXGZFGOXHNO-JSGCOSHPSA-N -1 1 344.389 1.208 20 5 EDBDMM COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC(C)C ZINC000439899687 320052766 /nfs/dbraw/zinc/05/27/66/320052766.db2.gz WGIVPFKQGRRCQW-VIFPVBQESA-N -1 1 325.321 1.261 20 5 EDBDMM CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000285747159 444094424 /nfs/dbraw/zinc/09/44/24/444094424.db2.gz LEWDAMKFYHFCCH-KOLCDFICSA-N -1 1 333.304 1.021 20 5 EDBDMM C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000570803240 321358180 /nfs/dbraw/zinc/35/81/80/321358180.db2.gz LGLRMKHGYRGDLM-GZMMTYOYSA-N -1 1 332.316 1.654 20 5 EDBDMM O=C([N-]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1)C(F)(F)F ZINC000290804807 444325314 /nfs/dbraw/zinc/32/53/14/444325314.db2.gz ZAHLABBYOLKYSS-VIFPVBQESA-N -1 1 332.282 1.885 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCO[C@@H]1C1CC1 ZINC000318326156 444318799 /nfs/dbraw/zinc/31/87/99/444318799.db2.gz TWIAUKLWPSZMDC-ZWNOBZJWSA-N -1 1 330.337 1.580 20 5 EDBDMM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000341011375 444630514 /nfs/dbraw/zinc/63/05/14/444630514.db2.gz FRMMWPHTNWVIGP-RNFRBKRXSA-N -1 1 326.421 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cncs2)c([N+](=O)[O-])n1 ZINC000338427330 444689150 /nfs/dbraw/zinc/68/91/50/444689150.db2.gz UCVFOYNUSQGZRP-ZETCQYMHSA-N -1 1 331.379 1.307 20 5 EDBDMM Nc1nccc([C@@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n1 ZINC000339130491 445048029 /nfs/dbraw/zinc/04/80/29/445048029.db2.gz CLVYZFVPVTUIKK-LLVKDONJSA-N -1 1 329.360 2.052 20 5 EDBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccccc3)s2)c1[N+](=O)[O-] ZINC000352792047 445554702 /nfs/dbraw/zinc/55/47/02/445554702.db2.gz QVYQYDDCMJSAOG-UHFFFAOYSA-N -1 1 344.356 2.408 20 5 EDBDMM CC(=O)Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000351567835 446164974 /nfs/dbraw/zinc/16/49/74/446164974.db2.gz KJMXVHBNPUZTSF-UHFFFAOYSA-N -1 1 344.327 1.626 20 5 EDBDMM O=C(Nc1nc(-c2ccncc2)n[nH]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000366630292 446286115 /nfs/dbraw/zinc/28/61/15/446286115.db2.gz QMKKZVLTGVFNRF-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM O=C(NC1(c2ccc3c(c2)OCO3)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444990326 447154112 /nfs/dbraw/zinc/15/41/12/447154112.db2.gz TZEVBLDMPCQKSR-UHFFFAOYSA-N -1 1 343.295 1.843 20 5 EDBDMM O=C(c1c[nH]c2cccc([N+](=O)[O-])c12)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539324364 448608560 /nfs/dbraw/zinc/60/85/60/448608560.db2.gz CKFRVQGJNKNGLI-SECBINFHSA-N -1 1 341.331 1.609 20 5 EDBDMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000611534684 449327017 /nfs/dbraw/zinc/32/70/17/449327017.db2.gz NTLDIFMCRBQFMU-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)on1 ZINC000598613647 449493934 /nfs/dbraw/zinc/49/39/34/449493934.db2.gz BAYKLTFITCONRW-UHFFFAOYSA-N -1 1 341.345 1.687 20 5 EDBDMM O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000614262720 449532962 /nfs/dbraw/zinc/53/29/62/449532962.db2.gz KDTJPHATLGHSEF-ZDUSSCGKSA-N -1 1 340.299 1.333 20 5 EDBDMM C[C@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[C@H]1C(=O)[O-] ZINC000600698607 449499763 /nfs/dbraw/zinc/49/97/63/449499763.db2.gz DIQIIXMOYHAWLE-SMDDNHRTSA-N -1 1 347.371 1.527 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000612532622 449756286 /nfs/dbraw/zinc/75/62/86/449756286.db2.gz BWAZVCQNNBUDKM-CQSZACIVSA-N -1 1 349.387 1.627 20 5 EDBDMM Cc1c(NC(=O)CCN(C)Cc2n[n-]c(=O)o2)cccc1[N+](=O)[O-] ZINC000595547538 450223731 /nfs/dbraw/zinc/22/37/31/450223731.db2.gz QKDMKXYAIBFTOO-UHFFFAOYSA-N -1 1 335.320 1.452 20 5 EDBDMM C[C@H]1COCCN1C1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000597679720 450191318 /nfs/dbraw/zinc/19/13/18/450191318.db2.gz SAXAWNWJONLDQN-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM C[C@H](CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1)C(=O)[O-] ZINC000736583504 579002992 /nfs/dbraw/zinc/00/29/92/579002992.db2.gz SQBYHHYFIMPNEE-LLVKDONJSA-N -1 1 345.359 1.996 20 5 EDBDMM C[C@H](O)CN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000736678971 579011803 /nfs/dbraw/zinc/01/18/03/579011803.db2.gz ZWWRYKZLYZPRFD-VFQZCJPISA-N -1 1 349.387 1.584 20 5 EDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]C(=O)[C@@H](C(C)C)N(C)C ZINC000798859998 581010940 /nfs/dbraw/zinc/01/09/40/581010940.db2.gz SBTKOKHFZYAYIS-CYBMUJFWSA-N -1 1 343.405 1.294 20 5 EDBDMM O=C(COC(=O)c1cn[n-]n1)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000805602885 593110684 /nfs/dbraw/zinc/11/06/84/593110684.db2.gz DGETYHGDBGFJCW-UHFFFAOYSA-N -1 1 325.668 1.162 20 5 EDBDMM O=c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c[nH]1 ZINC000811726029 593477153 /nfs/dbraw/zinc/47/71/53/593477153.db2.gz JPDMNSSSIAMAEG-UHFFFAOYSA-N -1 1 340.273 1.404 20 5 EDBDMM Cc1nn(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000811785921 593482040 /nfs/dbraw/zinc/48/20/40/593482040.db2.gz KDJTWRTYLCSBBO-SNVBAGLBSA-N -1 1 349.313 1.448 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCc1ccc(O)cc1 ZINC000823624787 594222639 /nfs/dbraw/zinc/22/26/39/594222639.db2.gz JLJUBPMQWPRTEP-UHFFFAOYSA-N -1 1 341.331 1.920 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCc1ccc(O)cc1 ZINC000823624787 594222640 /nfs/dbraw/zinc/22/26/40/594222640.db2.gz JLJUBPMQWPRTEP-UHFFFAOYSA-N -1 1 341.331 1.920 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@H](O)c1ccccc1 ZINC000823624526 594222683 /nfs/dbraw/zinc/22/26/83/594222683.db2.gz BQLSXYSZRYBYLL-LBPRGKRZSA-N -1 1 341.331 1.706 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@H](O)c1ccccc1 ZINC000823624526 594222684 /nfs/dbraw/zinc/22/26/84/594222684.db2.gz BQLSXYSZRYBYLL-LBPRGKRZSA-N -1 1 341.331 1.706 20 5 EDBDMM O=[N+]([O-])c1cnc(Sc2ncc3ccccn32)c(-c2nn[n-]n2)c1 ZINC000823652303 594224966 /nfs/dbraw/zinc/22/49/66/594224966.db2.gz ZGPNVLRXZFFZMK-UHFFFAOYSA-N -1 1 340.328 1.969 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC000832653976 594766987 /nfs/dbraw/zinc/76/69/87/594766987.db2.gz ICMQDNAOAYDCRQ-LLVKDONJSA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@@H]1C[C@H](CNC(=O)[O-])CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000833828694 594942148 /nfs/dbraw/zinc/94/21/48/594942148.db2.gz DNOHACHBEVYHSB-NXEZZACHSA-N -1 1 336.348 1.172 20 5 EDBDMM O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000834162456 595036181 /nfs/dbraw/zinc/03/61/81/595036181.db2.gz XNVHCXMCSHKABT-REMFIFCHSA-N -1 1 337.336 1.263 20 5 EDBDMM Cc1ccc(O[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)nc1 ZINC000858055861 595692421 /nfs/dbraw/zinc/69/24/21/595692421.db2.gz DXTUQKFAOBQUJY-LBPRGKRZSA-N -1 1 344.327 1.692 20 5 EDBDMM C[C@H](O)C1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000851831141 595939947 /nfs/dbraw/zinc/93/99/47/595939947.db2.gz NIWKOBCUCNOAQC-LURJTMIESA-N -1 1 338.744 1.579 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC2SCCS2)s1 ZINC000851833337 595940946 /nfs/dbraw/zinc/94/09/46/595940946.db2.gz SJFSGFNVVYYKLM-UHFFFAOYSA-N -1 1 326.446 1.741 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2C[C@@H](O)C2)cc1Cl ZINC000859363169 596066086 /nfs/dbraw/zinc/06/60/86/596066086.db2.gz IBUVWNGTAFOXPQ-KNVOCYPGSA-N -1 1 338.744 1.437 20 5 EDBDMM COC(=O)COc1ccc(C=C2SC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000874928738 597218526 /nfs/dbraw/zinc/21/85/26/597218526.db2.gz RVBYPMPZRICAMT-BJMVGYQFSA-N -1 1 338.297 1.471 20 5 EDBDMM C/C=C/C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OCC ZINC000559502810 306255768 /nfs/dbraw/zinc/25/57/68/306255768.db2.gz UIYHEAYVHGKBRQ-GFAPAMAISA-N -1 1 343.361 1.166 20 5 EDBDMM CC(C)n1c(CNC(=O)CCn2cc([N+](=O)[O-])cn2)n[n-]c1=S ZINC000066639675 215062584 /nfs/dbraw/zinc/06/25/84/215062584.db2.gz PAGJBBVPQOHJFM-UHFFFAOYSA-N -1 1 339.381 1.333 20 5 EDBDMM O=C(NCCc1nc2ccccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188081744 138831422 /nfs/dbraw/zinc/83/14/22/138831422.db2.gz MFBPMIIDBPBXBR-UHFFFAOYSA-N -1 1 327.300 1.544 20 5 EDBDMM O=C([O-])C1CCC(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000262074936 139248848 /nfs/dbraw/zinc/24/88/48/139248848.db2.gz KHLMPEVQINABIH-UHFFFAOYSA-N -1 1 332.316 1.844 20 5 EDBDMM O=C([O-])[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)[C@@H]1CCCOC1 ZINC000262774397 139302703 /nfs/dbraw/zinc/30/27/03/139302703.db2.gz LQOQNPBNUALCIB-PRHODGIISA-N -1 1 348.315 1.081 20 5 EDBDMM CCN1CCN([C@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)CC1 ZINC000160287504 285337285 /nfs/dbraw/zinc/33/72/85/285337285.db2.gz VAWZJARGLONABD-AWEZNQCLSA-N -1 1 348.403 1.152 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](O)Cc1ccccc1 ZINC000163657977 533278813 /nfs/dbraw/zinc/27/88/13/533278813.db2.gz JKWARFHZWGYDDT-QMTHXVAHSA-N -1 1 331.328 1.417 20 5 EDBDMM C[C@@H](CO)CCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000270191919 140057744 /nfs/dbraw/zinc/05/77/44/140057744.db2.gz AMHYSCHSKHPPES-SECBINFHSA-N -1 1 336.797 1.935 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000339046488 141947984 /nfs/dbraw/zinc/94/79/84/141947984.db2.gz AJRDJXSLCNGWBG-GHMZBOCLSA-N -1 1 330.410 1.916 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@H](OC(C)C)C2)c([N+](=O)[O-])n1 ZINC000416526413 304328722 /nfs/dbraw/zinc/32/87/22/304328722.db2.gz KUNAENOAAFHZBE-AOOOYVTPSA-N -1 1 332.382 1.046 20 5 EDBDMM O=C(NCCOc1ncccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352410266 162168969 /nfs/dbraw/zinc/16/89/69/162168969.db2.gz OJHRJHRUAMXTDD-UHFFFAOYSA-N -1 1 338.707 1.553 20 5 EDBDMM COc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000029388823 267381057 /nfs/dbraw/zinc/38/10/57/267381057.db2.gz WQIBQJYCIKIJKC-UHFFFAOYSA-N -1 1 331.210 1.993 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000277429223 273196106 /nfs/dbraw/zinc/19/61/06/273196106.db2.gz GAIVTXXUWIQLHU-XCBNKYQSSA-N -1 1 349.265 1.471 20 5 EDBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000278060801 273245238 /nfs/dbraw/zinc/24/52/38/273245238.db2.gz FHHPPABRNQXTSB-NSHDSACASA-N -1 1 339.348 1.792 20 5 EDBDMM Cc1cc(C)cc([C@@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000283021515 273760526 /nfs/dbraw/zinc/76/05/26/273760526.db2.gz GWLKLBSZUQRHOZ-AWEZNQCLSA-N -1 1 331.328 1.776 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@]2(CCOC2)O1 ZINC000373650416 280383567 /nfs/dbraw/zinc/38/35/67/280383567.db2.gz YSKWPODAONLNTP-ABAIWWIYSA-N -1 1 337.332 1.106 20 5 EDBDMM CC[C@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289188841 288647134 /nfs/dbraw/zinc/64/71/34/288647134.db2.gz QHSVRNIGVVGBNL-ZCFIWIBFSA-N -1 1 343.188 1.951 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)CC(C)(C)OC)c([N+](=O)[O-])n1 ZINC000339046074 288703534 /nfs/dbraw/zinc/70/35/34/288703534.db2.gz WIAMWRRKCPFPIY-SECBINFHSA-N -1 1 334.398 1.293 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 ZINC000289619954 288744751 /nfs/dbraw/zinc/74/47/51/288744751.db2.gz SSCZSXWISIWWHN-UHFFFAOYSA-N -1 1 328.375 1.487 20 5 EDBDMM CC[C@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)OC ZINC000421162165 304791323 /nfs/dbraw/zinc/79/13/23/304791323.db2.gz YVFZPWHTEBJLSB-LLVKDONJSA-N -1 1 332.334 1.460 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C)c(F)c2)c([N+](=O)[O-])n1 ZINC000435811540 305147733 /nfs/dbraw/zinc/14/77/33/305147733.db2.gz XBMTYYLSCVOWAW-UHFFFAOYSA-N -1 1 342.352 1.737 20 5 EDBDMM CN(C)C(=O)CC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445156285 305257269 /nfs/dbraw/zinc/25/72/69/305257269.db2.gz GNKABTOMRQFNRM-UHFFFAOYSA-N -1 1 336.348 1.026 20 5 EDBDMM COC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1C(C)C ZINC000452128588 305384590 /nfs/dbraw/zinc/38/45/90/305384590.db2.gz VIYRLSYJRGEAMU-JQWIXIFHSA-N -1 1 337.332 1.355 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000542799888 306058676 /nfs/dbraw/zinc/05/86/76/306058676.db2.gz IZTBKRUMNDLWDC-UHFFFAOYSA-N -1 1 328.375 1.542 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc3c[nH]nc32)ccc1[O-] ZINC000024425335 441310141 /nfs/dbraw/zinc/31/01/41/441310141.db2.gz FQHSEUUUXDGAMO-UHFFFAOYSA-N -1 1 334.313 1.978 20 5 EDBDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000113941895 441628184 /nfs/dbraw/zinc/62/81/84/441628184.db2.gz HXYQCBJLEFLIBS-UHFFFAOYSA-N -1 1 335.341 1.803 20 5 EDBDMM C[C@](O)(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000194037312 442834532 /nfs/dbraw/zinc/83/45/32/442834532.db2.gz USPPTSXEPYLQHU-INIZCTEOSA-N -1 1 331.328 1.723 20 5 EDBDMM Cn1ccnc1C[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185864525 443271307 /nfs/dbraw/zinc/27/13/07/443271307.db2.gz WXMRQZHCRXYTBH-NSHDSACASA-N -1 1 345.359 1.524 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CCC(=O)N1 ZINC000416503622 319436541 /nfs/dbraw/zinc/43/65/41/319436541.db2.gz WJTPONGVZJRQAV-GFCCVEGCSA-N -1 1 347.780 1.195 20 5 EDBDMM CCOC(=O)[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000273140596 443548273 /nfs/dbraw/zinc/54/82/73/443548273.db2.gz VOGRZLIJPNIMRS-RKDXNWHRSA-N -1 1 348.352 1.600 20 5 EDBDMM CCC[C@@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nn[n-]n1 ZINC000272358099 443601940 /nfs/dbraw/zinc/60/19/40/443601940.db2.gz RWGYSEKXHIZOJY-MRVPVSSYSA-N -1 1 334.292 1.108 20 5 EDBDMM O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000568771632 321306226 /nfs/dbraw/zinc/30/62/26/321306226.db2.gz BRJRHPBKDPXMTM-SECBINFHSA-N -1 1 332.316 1.702 20 5 EDBDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@H]1n1cccn1 ZINC000342075829 445158516 /nfs/dbraw/zinc/15/85/16/445158516.db2.gz XVVFHKNFGRGYFN-CYZMBNFOSA-N -1 1 347.331 1.040 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3nccn3C2)s1 ZINC000362064968 446189028 /nfs/dbraw/zinc/18/90/28/446189028.db2.gz JPOXLUJWBFITLR-QMMMGPOBSA-N -1 1 328.375 1.146 20 5 EDBDMM CN(C)c1noc([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000373574859 446267048 /nfs/dbraw/zinc/26/70/48/446267048.db2.gz IVNXBDQKMNJDGE-VIFPVBQESA-N -1 1 348.319 1.122 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(Nc2cccnc2)CC1 ZINC000377057669 446891323 /nfs/dbraw/zinc/89/13/23/446891323.db2.gz SACJSRYKZBGKNR-UHFFFAOYSA-N -1 1 343.343 1.807 20 5 EDBDMM CSCC[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443481415 447057301 /nfs/dbraw/zinc/05/73/01/447057301.db2.gz FNVFGZUKLKIXLT-ZETCQYMHSA-N -1 1 326.421 1.049 20 5 EDBDMM O=C(Nc1nnn[n-]1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444018298 447071199 /nfs/dbraw/zinc/07/11/99/447071199.db2.gz CVCNBJJWGLNXBY-UHFFFAOYSA-N -1 1 342.265 1.725 20 5 EDBDMM O=C(Nc1nn[n-]n1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12 ZINC000444018298 447071207 /nfs/dbraw/zinc/07/12/07/447071207.db2.gz CVCNBJJWGLNXBY-UHFFFAOYSA-N -1 1 342.265 1.725 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c([N+](=O)[O-])n1 ZINC000416499943 447628041 /nfs/dbraw/zinc/62/80/41/447628041.db2.gz DQCNCKMHIISYNX-UHFFFAOYSA-N -1 1 338.336 1.525 20 5 EDBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566221210 448417010 /nfs/dbraw/zinc/41/70/10/448417010.db2.gz QLCNWEVWTCYZLY-IJLUTSLNSA-N -1 1 335.360 1.964 20 5 EDBDMM C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C(=O)[O-] ZINC000572841307 448477396 /nfs/dbraw/zinc/47/73/96/448477396.db2.gz NTIQTIYMMDUTEV-DFBGVHRSSA-N -1 1 347.371 1.743 20 5 EDBDMM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000598237745 449304899 /nfs/dbraw/zinc/30/48/99/449304899.db2.gz OGOVXLAOBRYIKP-DGCLKSJQSA-N -1 1 345.359 1.570 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](COC)CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000594478528 449544148 /nfs/dbraw/zinc/54/41/48/449544148.db2.gz ILBDTKQITDZZGD-SNVBAGLBSA-N -1 1 348.425 1.541 20 5 EDBDMM O=C([O-])[C@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598657313 449523483 /nfs/dbraw/zinc/52/34/83/449523483.db2.gz DNDOLSHPFJJVMH-GFCCVEGCSA-N -1 1 332.316 1.941 20 5 EDBDMM Cc1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000600867908 449577288 /nfs/dbraw/zinc/57/72/88/449577288.db2.gz DBQRJYKWVLYKAH-LBPRGKRZSA-N -1 1 335.360 1.524 20 5 EDBDMM CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000133194523 528355606 /nfs/dbraw/zinc/35/56/06/528355606.db2.gz VYPHUNVCWYXNMQ-SECBINFHSA-N -1 1 345.352 1.023 20 5 EDBDMM O=C([O-])NC[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C1CC1 ZINC000740613633 579368830 /nfs/dbraw/zinc/36/88/30/579368830.db2.gz NUQGVPRIBWYZSC-ZDUSSCGKSA-N -1 1 337.332 1.597 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000733318208 578759715 /nfs/dbraw/zinc/75/97/15/578759715.db2.gz ZTVSWWQVPKYOIR-LBPRGKRZSA-N -1 1 334.781 1.953 20 5 EDBDMM NC(=O)C1([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000735919462 578940567 /nfs/dbraw/zinc/94/05/67/578940567.db2.gz IDFCGPOUMXBLML-UHFFFAOYSA-N -1 1 347.780 1.325 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)Cn2cc([N+](=O)[O-])nc2C)c1 ZINC000744880106 579528319 /nfs/dbraw/zinc/52/83/19/579528319.db2.gz HETOZCZGGDQHPN-UHFFFAOYSA-N -1 1 347.327 1.794 20 5 EDBDMM CC(=CC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752105011 579838559 /nfs/dbraw/zinc/83/85/59/579838559.db2.gz SIULOMFDYVDAGH-CHOZFAJLSA-N -1 1 344.331 1.111 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccco2)c([N+](=O)[O-])n1 ZINC000754792864 579912360 /nfs/dbraw/zinc/91/23/60/579912360.db2.gz RWTLLMYKCFMJCA-VIFPVBQESA-N -1 1 328.350 1.314 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000755294654 579924483 /nfs/dbraw/zinc/92/44/83/579924483.db2.gz JYSPVPUWCMKLFZ-KJJQSCHISA-N -1 1 344.331 1.111 20 5 EDBDMM CCCc1[nH]nc(C(=O)[N-]N2C(=O)c3ccccc3C2=O)c1[N+](=O)[O-] ZINC000763228263 580095609 /nfs/dbraw/zinc/09/56/09/580095609.db2.gz DDQXBXVPVMURAQ-UHFFFAOYSA-N -1 1 343.299 1.211 20 5 EDBDMM CC(C)COC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000763395799 580099414 /nfs/dbraw/zinc/09/94/14/580099414.db2.gz OWDKJPBMYMORNS-QMMMGPOBSA-N -1 1 336.391 1.522 20 5 EDBDMM O=C(COC(=O)c1cc([O-])cc([N+](=O)[O-])c1)Nc1nnc(C2CC2)o1 ZINC000780066664 580510755 /nfs/dbraw/zinc/51/07/55/580510755.db2.gz BQNRQJBOCGOMPS-UHFFFAOYSA-N -1 1 348.271 1.356 20 5 EDBDMM CC1([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000790074220 580761585 /nfs/dbraw/zinc/76/15/85/580761585.db2.gz BYRDIWBDQFJRHM-LLVKDONJSA-N -1 1 337.332 1.311 20 5 EDBDMM CN(C)c1noc(C[N-]C(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n1 ZINC000793853050 580858020 /nfs/dbraw/zinc/85/80/20/580858020.db2.gz YMVFDNGXKRJTGE-UHFFFAOYSA-N -1 1 341.274 1.452 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-])C1CC1 ZINC000866998250 593244084 /nfs/dbraw/zinc/24/40/84/593244084.db2.gz BDBNZUXLMKOFEN-NSHDSACASA-N -1 1 332.353 1.746 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809825988 593363011 /nfs/dbraw/zinc/36/30/11/593363011.db2.gz RGTJNGJEDIPCJT-UHFFFAOYSA-N -1 1 346.752 1.605 20 5 EDBDMM C[C@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000820623364 593847484 /nfs/dbraw/zinc/84/74/84/593847484.db2.gz NQPXRVRSPADWLR-IINYFYTJSA-N -1 1 333.352 1.523 20 5 EDBDMM C[C@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC[C@@H]1O ZINC000820623364 593847487 /nfs/dbraw/zinc/84/74/87/593847487.db2.gz NQPXRVRSPADWLR-IINYFYTJSA-N -1 1 333.352 1.523 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N(C)C2CCN(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000824453581 594015659 /nfs/dbraw/zinc/01/56/59/594015659.db2.gz PPLIMCWOKDNMNS-UHFFFAOYSA-N -1 1 339.352 1.656 20 5 EDBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)C(=O)NC(C)(C)C ZINC000824658431 594052094 /nfs/dbraw/zinc/05/20/94/594052094.db2.gz XBRAXNLICOJBSJ-MRVPVSSYSA-N -1 1 333.352 1.490 20 5 EDBDMM C[C@@H](Nc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)C(=O)NC(C)(C)C ZINC000824658431 594052095 /nfs/dbraw/zinc/05/20/95/594052095.db2.gz XBRAXNLICOJBSJ-MRVPVSSYSA-N -1 1 333.352 1.490 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](CO)Cc1ccco1 ZINC000823620968 594222160 /nfs/dbraw/zinc/22/21/60/594222160.db2.gz UXXUXFLSYLWTLS-SECBINFHSA-N -1 1 345.319 1.026 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](CO)Cc1ccco1 ZINC000823620968 594222161 /nfs/dbraw/zinc/22/21/61/594222161.db2.gz UXXUXFLSYLWTLS-SECBINFHSA-N -1 1 345.319 1.026 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCNc1ccccn1 ZINC000823624771 594222543 /nfs/dbraw/zinc/22/25/43/594222543.db2.gz IYEIFHXRVPZTTM-UHFFFAOYSA-N -1 1 341.335 1.479 20 5 EDBDMM C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C(=O)[O-] ZINC000828461948 594426671 /nfs/dbraw/zinc/42/66/71/594426671.db2.gz FRZJYWQPLRFXIW-JOYOIKCWSA-N -1 1 332.316 1.797 20 5 EDBDMM CN1CCO[C@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830964092 594526717 /nfs/dbraw/zinc/52/67/17/594526717.db2.gz HKTLISHQSOKEMA-OLZOCXBDSA-N -1 1 341.751 1.466 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCCOCC2)cc1F ZINC000867060646 594573205 /nfs/dbraw/zinc/57/32/05/594573205.db2.gz OWDSQLYKSRMUPN-JTQLQIEISA-N -1 1 332.353 1.890 20 5 EDBDMM O=c1[nH]nc([C@@H]2CCC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000829438059 594613175 /nfs/dbraw/zinc/61/31/75/594613175.db2.gz ACEHIPBMFZYYHD-DGCLKSJQSA-N -1 1 334.332 1.596 20 5 EDBDMM O=C([O-])c1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)cc([N+](=O)[O-])c1 ZINC000833295976 594822301 /nfs/dbraw/zinc/82/23/01/594822301.db2.gz IFOFNQCPNILUCL-LBPRGKRZSA-N -1 1 330.300 1.824 20 5 EDBDMM CO[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867353885 595330078 /nfs/dbraw/zinc/33/00/78/595330078.db2.gz QNLSGYHQNNHJEL-ZYHUDNBSSA-N -1 1 332.353 1.888 20 5 EDBDMM O=C(NC[C@@]1(O)CCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000109021050 595708950 /nfs/dbraw/zinc/70/89/50/595708950.db2.gz AQYQQEGDXGDKJJ-KRWDZBQOSA-N -1 1 343.339 1.649 20 5 EDBDMM CC(C)C[C@@H](CNC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738812185 602532014 /nfs/dbraw/zinc/53/20/14/602532014.db2.gz PLKJIWBKPZGYHP-VIFPVBQESA-N -1 1 349.347 1.883 20 5 EDBDMM C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCN1CCN(C(=O)[O-])CC1 ZINC000739058804 602874745 /nfs/dbraw/zinc/87/47/45/602874745.db2.gz NLMUIQAWUMWURG-ZDUSSCGKSA-N -1 1 336.392 1.883 20 5 EDBDMM CCC(CC)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000324190350 282119677 /nfs/dbraw/zinc/11/96/77/282119677.db2.gz YYJZJKVSICXZQO-UHFFFAOYSA-N -1 1 348.352 1.903 20 5 EDBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1n[n-]c(C(F)(F)F)n1 ZINC000126584877 138338306 /nfs/dbraw/zinc/33/83/06/138338306.db2.gz FCIMNJABTDPLTI-UHFFFAOYSA-N -1 1 333.230 1.265 20 5 EDBDMM O=C([O-])Cc1ccc(NCCN2CCSCC2)c([N+](=O)[O-])c1 ZINC000565778251 306391401 /nfs/dbraw/zinc/39/14/01/306391401.db2.gz XOBCPRHDKSEYPF-UHFFFAOYSA-N -1 1 325.390 1.683 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000565827466 306392344 /nfs/dbraw/zinc/39/23/44/306392344.db2.gz NNNVOBUICYNYJU-LLVKDONJSA-N -1 1 330.348 1.745 20 5 EDBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000566978785 306434940 /nfs/dbraw/zinc/43/49/40/306434940.db2.gz ZMFSFVOQKBFWII-UHFFFAOYSA-N -1 1 348.764 1.622 20 5 EDBDMM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000416621127 251087579 /nfs/dbraw/zinc/08/75/79/251087579.db2.gz JUXZTWJVJDREBB-QMMMGPOBSA-N -1 1 349.796 1.440 20 5 EDBDMM C[C@H]1CCCN(c2ccc(C(=O)Nc3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000342857234 142762497 /nfs/dbraw/zinc/76/24/97/142762497.db2.gz KPDXNZAZGLTWSD-VIFPVBQESA-N -1 1 331.336 1.597 20 5 EDBDMM C[C@H]1CCCN(c2ccc(C(=O)Nc3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000342857234 142762498 /nfs/dbraw/zinc/76/24/98/142762498.db2.gz KPDXNZAZGLTWSD-VIFPVBQESA-N -1 1 331.336 1.597 20 5 EDBDMM O=C([O-])[C@@H]1C=C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000274936684 268243517 /nfs/dbraw/zinc/24/35/17/268243517.db2.gz DJXMIQYKNFQCEY-HTQZYQBOSA-N -1 1 330.293 1.042 20 5 EDBDMM C[C@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000341765946 278236037 /nfs/dbraw/zinc/23/60/37/278236037.db2.gz AJWDAYPUWVDDQH-JTQLQIEISA-N -1 1 344.327 1.303 20 5 EDBDMM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CCN1C[C@@H](C)O ZINC000187363867 288274099 /nfs/dbraw/zinc/27/40/99/288274099.db2.gz RLBKQWIXIIBHJO-NEPJUHHUSA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CCN1CC(C)(C)O ZINC000188707209 300188643 /nfs/dbraw/zinc/18/86/43/300188643.db2.gz UPMLZMJVFKXQRW-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM CC[C@@H](CO)[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295172898 303183959 /nfs/dbraw/zinc/18/39/59/303183959.db2.gz QHSVRNIGVVGBNL-LURJTMIESA-N -1 1 343.188 1.951 20 5 EDBDMM NC(=O)COc1cccc2c1CCCN2C(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000456244617 447348502 /nfs/dbraw/zinc/34/85/02/447348502.db2.gz PUNOKXRBIHYSDI-UHFFFAOYSA-N -1 1 344.327 1.380 20 5 EDBDMM CN(CCCC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445197433 305257881 /nfs/dbraw/zinc/25/78/81/305257881.db2.gz UCSRPBUBVBDZIY-UHFFFAOYSA-N -1 1 339.348 1.889 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2C1 ZINC000525185326 305823349 /nfs/dbraw/zinc/82/33/49/305823349.db2.gz ACEKTSUUTTUSFM-ZDUSSCGKSA-N -1 1 333.369 1.826 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)on1 ZINC000546640961 306094379 /nfs/dbraw/zinc/09/43/79/306094379.db2.gz LPYNMGPMONLVOB-UHFFFAOYSA-N -1 1 331.375 1.994 20 5 EDBDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000045095922 440950109 /nfs/dbraw/zinc/95/01/09/440950109.db2.gz JYQNUPGBYTWRJH-UHFFFAOYSA-N -1 1 335.341 1.803 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C ZINC000045816114 441043775 /nfs/dbraw/zinc/04/37/75/441043775.db2.gz ODZZCXJUWHZWTM-SSDOTTSWSA-N -1 1 335.769 1.003 20 5 EDBDMM Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000016499221 441226622 /nfs/dbraw/zinc/22/66/22/441226622.db2.gz RKHVTOVFLNKKQY-UHFFFAOYSA-N -1 1 342.355 1.966 20 5 EDBDMM Cn1c(CCNC(=O)CCc2cccc([N+](=O)[O-])c2)n[n-]c1=S ZINC000087301934 441485922 /nfs/dbraw/zinc/48/59/22/441485922.db2.gz DCMNFZSPEOEDHN-UHFFFAOYSA-N -1 1 335.389 1.677 20 5 EDBDMM CCc1cc(=O)[n-]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000041626555 441664369 /nfs/dbraw/zinc/66/43/69/441664369.db2.gz USJWDCJMYJNILW-UHFFFAOYSA-N -1 1 334.357 1.971 20 5 EDBDMM COCCOCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000147490056 441907986 /nfs/dbraw/zinc/90/79/86/441907986.db2.gz PSWASIQYTYXENP-UHFFFAOYSA-N -1 1 338.769 1.190 20 5 EDBDMM CC(C)(C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000128778642 442287709 /nfs/dbraw/zinc/28/77/09/442287709.db2.gz RARABIPLHMYBRA-VIFPVBQESA-N -1 1 334.369 1.809 20 5 EDBDMM Cc1ccc([C@H]2COCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)o1 ZINC000187102541 442653285 /nfs/dbraw/zinc/65/32/85/442653285.db2.gz FESMTSBFVJUFDZ-GFCCVEGCSA-N -1 1 333.300 1.811 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000193836046 442795930 /nfs/dbraw/zinc/79/59/30/442795930.db2.gz ICKCGJUGEYSTLI-AWEZNQCLSA-N -1 1 343.339 1.779 20 5 EDBDMM C[C@@H]1OCC[C@]12CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279180686 443527073 /nfs/dbraw/zinc/52/70/73/443527073.db2.gz BRDZFKQIDLTNTH-FTGAXOIBSA-N -1 1 337.332 1.104 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](CO)c1ccsc1 ZINC000546734019 320817327 /nfs/dbraw/zinc/81/73/27/320817327.db2.gz GZADSNBVQIACJG-SECBINFHSA-N -1 1 329.359 1.063 20 5 EDBDMM CC[C@H](O)CN1CCN(c2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000563623933 321112314 /nfs/dbraw/zinc/11/23/14/321112314.db2.gz JKKNTHYBGMHTSR-ZDUSSCGKSA-N -1 1 337.376 1.494 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])n1 ZINC000331739969 444485657 /nfs/dbraw/zinc/48/56/57/444485657.db2.gz ACSKJDNAWPTCRM-IEBDPFPHSA-N -1 1 346.409 1.149 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)n[nH]2)c([N+](=O)[O-])n1 ZINC000611028830 450414306 /nfs/dbraw/zinc/41/43/06/450414306.db2.gz QKJJJWFMGGFAPT-UHFFFAOYSA-N -1 1 342.381 1.633 20 5 EDBDMM NC(=O)c1cc([C@H]2CCCN(Cc3cc([O-])ccc3[N+](=O)[O-])C2)n[nH]1 ZINC000339016283 444987122 /nfs/dbraw/zinc/98/71/22/444987122.db2.gz ITLUWKXXMQCOGN-JTQLQIEISA-N -1 1 345.359 1.502 20 5 EDBDMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])[n-]1 ZINC000354732449 445355314 /nfs/dbraw/zinc/35/53/14/445355314.db2.gz SEYMMBSMAOYEQG-UHFFFAOYSA-N -1 1 345.724 1.022 20 5 EDBDMM CS(=O)(=O)c1nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[n-]1 ZINC000354732449 445355315 /nfs/dbraw/zinc/35/53/15/445355315.db2.gz SEYMMBSMAOYEQG-UHFFFAOYSA-N -1 1 345.724 1.022 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000366360355 446172697 /nfs/dbraw/zinc/17/26/97/446172697.db2.gz FDHSUHAJVJRGMP-CQSZACIVSA-N -1 1 345.311 1.615 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Cc2ccncc2)C1 ZINC000370690641 446389202 /nfs/dbraw/zinc/38/92/02/446389202.db2.gz NBSURKGHKZSPIK-LBPRGKRZSA-N -1 1 328.328 1.795 20 5 EDBDMM CC(C)[C@@H](CO)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(C)C ZINC000452964501 446519543 /nfs/dbraw/zinc/51/95/43/446519543.db2.gz PXVXKEYOQBKGFZ-YPMHNXCESA-N -1 1 325.365 1.714 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccc(F)cc2)s1 ZINC000443285078 447025800 /nfs/dbraw/zinc/02/58/00/447025800.db2.gz NQDRNDDBRVCYRG-JTQLQIEISA-N -1 1 346.361 1.807 20 5 EDBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](C)C(=O)OCC ZINC000444677411 447120071 /nfs/dbraw/zinc/12/00/71/447120071.db2.gz PPBFCFBEIRMTBM-VIFPVBQESA-N -1 1 325.321 1.499 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000416578550 447652253 /nfs/dbraw/zinc/65/22/53/447652253.db2.gz GYQMBRKZLJEHHX-NEPJUHHUSA-N -1 1 342.421 1.916 20 5 EDBDMM COc1ccc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c(C)c1 ZINC000531941297 448174445 /nfs/dbraw/zinc/17/44/45/448174445.db2.gz CHLWAGRFAUTBGA-UHFFFAOYSA-N -1 1 337.357 1.785 20 5 EDBDMM C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000571999960 448259010 /nfs/dbraw/zinc/25/90/10/448259010.db2.gz CUSKHRYMAMYMHS-FZMZJTMJSA-N -1 1 347.371 1.527 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc2[nH]ccc2c1 ZINC000517214658 448552052 /nfs/dbraw/zinc/55/20/52/448552052.db2.gz WLRPZRXQWOOINS-UHFFFAOYSA-N -1 1 346.368 1.992 20 5 EDBDMM O=C([O-])C[C@@H]1CSCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000582306687 449063370 /nfs/dbraw/zinc/06/33/70/449063370.db2.gz ZWFHKWNTZQSRKZ-LLVKDONJSA-N -1 1 326.374 1.866 20 5 EDBDMM CC(C)N(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000595878516 449227126 /nfs/dbraw/zinc/22/71/26/449227126.db2.gz YWEFBPNISFACCB-CQSZACIVSA-N -1 1 335.360 1.491 20 5 EDBDMM CCC[C@@H](C(=O)OCC)n1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000598107329 449240462 /nfs/dbraw/zinc/24/04/62/449240462.db2.gz BDRRUXIFQFNUKY-NSHDSACASA-N -1 1 349.347 2.276 20 5 EDBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)OC(C)(C)C ZINC000594423060 449508068 /nfs/dbraw/zinc/50/80/68/449508068.db2.gz PZRFEHCREAPMRY-MRVPVSSYSA-N -1 1 325.321 1.403 20 5 EDBDMM CCc1cnccc1[C@H](C)[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594766483 449678905 /nfs/dbraw/zinc/67/89/05/449678905.db2.gz CKEJRLUQUVTBNH-JTQLQIEISA-N -1 1 336.373 1.987 20 5 EDBDMM COc1cccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599228089 449814884 /nfs/dbraw/zinc/81/48/84/449814884.db2.gz YZXFGZZRDTYNPL-SECBINFHSA-N -1 1 340.361 1.376 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cccc(F)c1F ZINC000610263632 450173507 /nfs/dbraw/zinc/17/35/07/450173507.db2.gz KAXKKELAWPNMEW-UHFFFAOYSA-N -1 1 343.311 1.789 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000739376821 579198060 /nfs/dbraw/zinc/19/80/60/579198060.db2.gz YEDYBFHNUMVZEK-DTWKUNHWSA-N -1 1 339.352 1.389 20 5 EDBDMM Cc1n[nH]c(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740029266 579282301 /nfs/dbraw/zinc/28/23/01/579282301.db2.gz BIVQKDVDLQWXJW-SSDOTTSWSA-N -1 1 325.325 1.135 20 5 EDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000747616991 579650887 /nfs/dbraw/zinc/65/08/87/579650887.db2.gz KRGHLHVXEQYXNM-UHFFFAOYSA-N -1 1 339.333 1.007 20 5 EDBDMM O=C(NN1CCc2ccccc2C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770682234 580267541 /nfs/dbraw/zinc/26/75/41/580267541.db2.gz MBAQLGRKVHNSLX-UHFFFAOYSA-N -1 1 328.284 1.039 20 5 EDBDMM COc1ccc([O-])c(S(=O)(=O)NN=c2[nH]cccc2[N+](=O)[O-])c1 ZINC000775677023 580396962 /nfs/dbraw/zinc/39/69/62/580396962.db2.gz QTKRHJLBRPXCAQ-UHFFFAOYSA-N -1 1 340.317 1.009 20 5 EDBDMM CCOc1cc(OS(=O)(=O)c2c[n-]nc2C)ccc1[N+](=O)[O-] ZINC000790925554 580781412 /nfs/dbraw/zinc/78/14/12/580781412.db2.gz TXWABVPCZWWSPO-UHFFFAOYSA-N -1 1 327.318 1.793 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC(N(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000737892124 592950239 /nfs/dbraw/zinc/95/02/39/592950239.db2.gz RRKRSBAUAACICU-UHFFFAOYSA-N -1 1 325.325 1.095 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCc2nnc[nH]2)cc1Cl ZINC000809824668 593362522 /nfs/dbraw/zinc/36/25/22/593362522.db2.gz FLMLBTDFQGOARM-UHFFFAOYSA-N -1 1 349.731 1.026 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccno2)cc1Cl ZINC000809833778 593363587 /nfs/dbraw/zinc/36/35/87/593363587.db2.gz YWRAEVICWMXZOK-UHFFFAOYSA-N -1 1 335.700 1.854 20 5 EDBDMM C[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019120 593609937 /nfs/dbraw/zinc/60/99/37/593609937.db2.gz CVZWGVODXSVGKR-RQJHMYQMSA-N -1 1 340.760 1.683 20 5 EDBDMM CCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCOCC1 ZINC000820967260 593930817 /nfs/dbraw/zinc/93/08/17/593930817.db2.gz MXSMBLITQISEOW-UHFFFAOYSA-N -1 1 333.352 1.789 20 5 EDBDMM CCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCOCC1 ZINC000820967260 593930820 /nfs/dbraw/zinc/93/08/20/593930820.db2.gz MXSMBLITQISEOW-UHFFFAOYSA-N -1 1 333.352 1.789 20 5 EDBDMM COc1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c(OC)c1 ZINC000821837371 593951376 /nfs/dbraw/zinc/95/13/76/593951376.db2.gz CWARWZUDBYBDAG-UHFFFAOYSA-N -1 1 343.303 1.931 20 5 EDBDMM COc1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c(OC)c1 ZINC000821837371 593951377 /nfs/dbraw/zinc/95/13/77/593951377.db2.gz CWARWZUDBYBDAG-UHFFFAOYSA-N -1 1 343.303 1.931 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H]2CN(C)C(=O)[O-])c1[N+](=O)[O-] ZINC000824453257 594015629 /nfs/dbraw/zinc/01/56/29/594015629.db2.gz IRNUCWPXWAERSU-VIFPVBQESA-N -1 1 339.352 1.656 20 5 EDBDMM Cc1noc(C)c1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822523743 594062207 /nfs/dbraw/zinc/06/22/07/594062207.db2.gz SWBLNOQXAPGQJT-UHFFFAOYSA-N -1 1 330.308 1.429 20 5 EDBDMM Cc1noc(C)c1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822523743 594062210 /nfs/dbraw/zinc/06/22/10/594062210.db2.gz SWBLNOQXAPGQJT-UHFFFAOYSA-N -1 1 330.308 1.429 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCc2ccc(F)cc2C1 ZINC000823619775 594221985 /nfs/dbraw/zinc/22/19/85/594221985.db2.gz AZXDBYIQBAWOPF-UHFFFAOYSA-N -1 1 341.306 1.872 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCc2ccc(F)cc2C1 ZINC000823619775 594221986 /nfs/dbraw/zinc/22/19/86/594221986.db2.gz AZXDBYIQBAWOPF-UHFFFAOYSA-N -1 1 341.306 1.872 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@H](n2ccnc2)C1 ZINC000823620833 594222070 /nfs/dbraw/zinc/22/20/70/594222070.db2.gz QSSRJRLEQYISKK-JTQLQIEISA-N -1 1 341.335 1.208 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826423555 594470215 /nfs/dbraw/zinc/47/02/15/594470215.db2.gz UZOZROZWRHUTGG-UHFFFAOYSA-N -1 1 340.299 1.456 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826423555 594470216 /nfs/dbraw/zinc/47/02/16/594470216.db2.gz UZOZROZWRHUTGG-UHFFFAOYSA-N -1 1 340.299 1.456 20 5 EDBDMM C[C@H]1CN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCN1CCC(=O)[O-] ZINC000833618249 594887003 /nfs/dbraw/zinc/88/70/03/594887003.db2.gz MORQDDIPBVYSIS-LVDDQXARSA-N -1 1 347.371 1.615 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCOC[C@@H]2C)cc1F ZINC000867263059 594914670 /nfs/dbraw/zinc/91/46/70/594914670.db2.gz DKFORYYXZYDZTL-WDEREUQCSA-N -1 1 346.380 1.993 20 5 EDBDMM CO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000841548442 594920666 /nfs/dbraw/zinc/92/06/66/594920666.db2.gz IWXFQXGSFCVILK-NEPJUHHUSA-N -1 1 344.364 1.970 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCC1(CO)CCC1 ZINC000846017384 595123713 /nfs/dbraw/zinc/12/37/13/595123713.db2.gz CLHNRLHYBHKUIL-UHFFFAOYSA-N -1 1 332.353 1.565 20 5 EDBDMM COC(=O)[C@H](CCF)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846423651 595226454 /nfs/dbraw/zinc/22/64/54/595226454.db2.gz CTFRECIOKBONAI-JTQLQIEISA-N -1 1 334.250 1.704 20 5 EDBDMM COCC1([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCC1 ZINC000867245276 595260565 /nfs/dbraw/zinc/26/05/65/595260565.db2.gz JZOBVCSUSLSHON-UHFFFAOYSA-N -1 1 332.353 1.890 20 5 EDBDMM CC1(C)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851817405 595933666 /nfs/dbraw/zinc/93/36/66/595933666.db2.gz UWADRUHFKHIELF-JTQLQIEISA-N -1 1 347.780 1.051 20 5 EDBDMM C[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCN1C(=O)[O-] ZINC000739182412 603359785 /nfs/dbraw/zinc/35/97/85/603359785.db2.gz NQHIJTQARHTIJZ-LLVKDONJSA-N -1 1 336.348 1.608 20 5 EDBDMM Cc1noc(CC[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000101575510 219141151 /nfs/dbraw/zinc/14/11/51/219141151.db2.gz VAGUVRMTWQTAKU-UHFFFAOYSA-N -1 1 346.752 1.461 20 5 EDBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000566750357 306427676 /nfs/dbraw/zinc/42/76/76/306427676.db2.gz FROXJFLDZRSQSL-CYBMUJFWSA-N -1 1 329.378 1.209 20 5 EDBDMM COCC(COC)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000451890143 305372114 /nfs/dbraw/zinc/37/21/14/305372114.db2.gz OQHZGYNLDVTOPB-UHFFFAOYSA-N -1 1 338.769 1.188 20 5 EDBDMM Cn1cnc(S(=O)(=O)[N-]Cc2cccc([N+](=O)[O-])c2)c1Cl ZINC000049948297 214037315 /nfs/dbraw/zinc/03/73/15/214037315.db2.gz GFWHJUFAKPIEEZ-UHFFFAOYSA-N -1 1 330.753 1.460 20 5 EDBDMM C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1 ZINC000263088431 139321688 /nfs/dbraw/zinc/32/16/88/139321688.db2.gz SMDYNMBLVUZXNS-PELKAZGASA-N -1 1 332.316 1.796 20 5 EDBDMM C[C@@H](O)C[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000119432543 221319113 /nfs/dbraw/zinc/31/91/13/221319113.db2.gz XEYHEEGVXWRIEW-YPMHNXCESA-N -1 1 345.355 1.980 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000272054231 140393436 /nfs/dbraw/zinc/39/34/36/140393436.db2.gz NPSOQUGWKGKNSK-MWLCHTKSSA-N -1 1 332.353 1.970 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000360864921 152234278 /nfs/dbraw/zinc/23/42/78/152234278.db2.gz LZBAGDUREFTAPA-MNOVXSKESA-N -1 1 344.393 1.047 20 5 EDBDMM C[C@@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000371790439 156106548 /nfs/dbraw/zinc/10/65/48/156106548.db2.gz XNAJIJZUQLMPBF-ZJUUUORDSA-N -1 1 348.338 1.757 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])cc1NS(=O)(=O)[C@@H]1CCCOC1 ZINC000274890793 268231177 /nfs/dbraw/zinc/23/11/77/268231177.db2.gz FWDPGQGKRGQWNX-SECBINFHSA-N -1 1 330.318 1.214 20 5 EDBDMM C[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275049754 268270997 /nfs/dbraw/zinc/27/09/97/268270997.db2.gz SFDYPBZCOFNAFH-MRVPVSSYSA-N -1 1 334.325 1.513 20 5 EDBDMM Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275563659 268360866 /nfs/dbraw/zinc/36/08/66/268360866.db2.gz HPGOKJIKEILAQR-JQWIXIFHSA-N -1 1 347.331 1.079 20 5 EDBDMM C[S@@](=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187135874 272948639 /nfs/dbraw/zinc/94/86/39/272948639.db2.gz ZXGJUIUBFVOKIG-FNODVLLQSA-N -1 1 349.368 1.545 20 5 EDBDMM CC(C)(CCC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000262544639 278600728 /nfs/dbraw/zinc/60/07/28/278600728.db2.gz RQDJKZHZRBIFPH-UHFFFAOYSA-N -1 1 334.325 1.656 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292107965 289262889 /nfs/dbraw/zinc/26/28/89/289262889.db2.gz VCJPEQTXQDGIEU-UHFFFAOYSA-N -1 1 340.361 1.687 20 5 EDBDMM O=c1[n-]nc(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000295340113 303206681 /nfs/dbraw/zinc/20/66/81/303206681.db2.gz MYVDUUSDSOWCCF-ZDUSSCGKSA-N -1 1 334.332 1.184 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCCO[C@@H]1CCOC1 ZINC000268269478 304797817 /nfs/dbraw/zinc/79/78/17/304797817.db2.gz SLLMUROEDRJKAO-SNVBAGLBSA-N -1 1 348.352 1.208 20 5 EDBDMM CCc1n[nH]c([N-]S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000438246612 305183851 /nfs/dbraw/zinc/18/38/51/305183851.db2.gz HRQWXZOUDHGILV-UHFFFAOYSA-N -1 1 340.361 1.998 20 5 EDBDMM CSc1nnc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000445699098 305259717 /nfs/dbraw/zinc/25/97/17/305259717.db2.gz HMWZQONBUXRYLF-UHFFFAOYSA-N -1 1 346.415 1.647 20 5 EDBDMM O=C1NCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000047265884 441170748 /nfs/dbraw/zinc/17/07/48/441170748.db2.gz HINUTIJWUFFPNI-VIFPVBQESA-N -1 1 347.780 1.195 20 5 EDBDMM CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000106447083 441343859 /nfs/dbraw/zinc/34/38/59/441343859.db2.gz RIPPPWBHPURJMO-JTQLQIEISA-N -1 1 349.796 1.427 20 5 EDBDMM CCC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)OC ZINC000066327614 441520822 /nfs/dbraw/zinc/52/08/22/441520822.db2.gz MAOSOKJZIBJDGZ-LLVKDONJSA-N -1 1 336.391 1.666 20 5 EDBDMM CC[C@H](CCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000121487375 441716306 /nfs/dbraw/zinc/71/63/06/441716306.db2.gz SBVYQOVPLVNLOQ-SECBINFHSA-N -1 1 336.797 1.935 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)on1 ZINC000143488387 441873206 /nfs/dbraw/zinc/87/32/06/441873206.db2.gz IEOHYCBSQAAFAG-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM O=C(C=Cc1ccccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000129512815 442320558 /nfs/dbraw/zinc/32/05/58/442320558.db2.gz NSMYKZMHZQWOQY-GUOLPTJISA-N -1 1 328.332 1.527 20 5 EDBDMM O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)[N-]CCCF ZINC000134519912 442490293 /nfs/dbraw/zinc/49/02/93/442490293.db2.gz SFLFLBQHDQIOPR-UHFFFAOYSA-N -1 1 341.158 1.995 20 5 EDBDMM COc1ncccc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000156606687 442501408 /nfs/dbraw/zinc/50/14/08/442501408.db2.gz AYJJPXDHAYMLNH-UHFFFAOYSA-N -1 1 337.357 1.983 20 5 EDBDMM CCn1nc(C)c(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000172904601 442566487 /nfs/dbraw/zinc/56/64/87/442566487.db2.gz HRTARMZSIRULNF-UHFFFAOYSA-N -1 1 340.361 1.934 20 5 EDBDMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187133247 442655195 /nfs/dbraw/zinc/65/51/95/442655195.db2.gz ANYNGXXGBJXJHE-MRVPVSSYSA-N -1 1 333.348 1.407 20 5 EDBDMM CCc1nc([C@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CCO2)n[nH]1 ZINC000266150026 443036065 /nfs/dbraw/zinc/03/60/65/443036065.db2.gz WSRVGJYXJNTLGL-GFCCVEGCSA-N -1 1 347.331 1.195 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000282733689 443419442 /nfs/dbraw/zinc/41/94/42/443419442.db2.gz ZYDXFSNJVKMCEE-STQMWFEESA-N -1 1 347.302 1.783 20 5 EDBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2[nH]nnc2C1 ZINC000283609254 443672691 /nfs/dbraw/zinc/67/26/91/443672691.db2.gz YYLGUPGEUJQIIO-ZCFIWIBFSA-N -1 1 337.723 1.816 20 5 EDBDMM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H]1CCc2nn[nH]c2C1 ZINC000283609254 443672693 /nfs/dbraw/zinc/67/26/93/443672693.db2.gz YYLGUPGEUJQIIO-ZCFIWIBFSA-N -1 1 337.723 1.816 20 5 EDBDMM COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000340643715 444469657 /nfs/dbraw/zinc/46/96/57/444469657.db2.gz WAWVMTOXPCHYEM-UHFFFAOYSA-N -1 1 349.299 1.979 20 5 EDBDMM O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000344017380 444730099 /nfs/dbraw/zinc/73/00/99/444730099.db2.gz WRDPGWQEVNCNIR-UHFFFAOYSA-N -1 1 346.274 1.968 20 5 EDBDMM CO[C@@H]1[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1(C)C ZINC000342993062 444994240 /nfs/dbraw/zinc/99/42/40/444994240.db2.gz WWSRULMEZZSNBS-WHGOUJPWSA-N -1 1 334.419 1.994 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2(CC(C)C)CC2)c([N+](=O)[O-])n1 ZINC000339042281 445003567 /nfs/dbraw/zinc/00/35/67/445003567.db2.gz SGNYQADAJMLHPB-UHFFFAOYSA-N -1 1 330.410 1.916 20 5 EDBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339042318 445004120 /nfs/dbraw/zinc/00/41/20/445004120.db2.gz KUYKOOAEZDRATE-ZJUUUORDSA-N -1 1 348.450 1.764 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC(C)(C)[C@@H](O)C(C)C)c([N+](=O)[O-])n1 ZINC000339050788 445009592 /nfs/dbraw/zinc/00/95/92/445009592.db2.gz URHGLRBMCOLYGP-NSHDSACASA-N -1 1 348.425 1.133 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000339192477 445081309 /nfs/dbraw/zinc/08/13/09/445081309.db2.gz GDLVXBRMLLGUSI-UHFFFAOYSA-N -1 1 334.288 1.409 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000330831745 445157946 /nfs/dbraw/zinc/15/79/46/445157946.db2.gz HFMMUFWHWWAQEB-HBNTYKKESA-N -1 1 330.410 1.914 20 5 EDBDMM O=C(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NCc1ccccc1 ZINC000351742856 445303625 /nfs/dbraw/zinc/30/36/25/445303625.db2.gz WYETUPUPSHNRJM-UHFFFAOYSA-N -1 1 344.327 1.132 20 5 EDBDMM CCNC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000360161494 445603050 /nfs/dbraw/zinc/60/30/50/445603050.db2.gz IGEUDIBUFGWFJJ-UHFFFAOYSA-N -1 1 344.327 1.375 20 5 EDBDMM CC(C)[C@@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000399575334 325748737 /nfs/dbraw/zinc/74/87/37/325748737.db2.gz JYNSBAJHOGCPTK-LDYMZIIASA-N -1 1 348.352 1.758 20 5 EDBDMM Cc1cnn(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)c1 ZINC000369250486 446021547 /nfs/dbraw/zinc/02/15/47/446021547.db2.gz PEEJBUZLXZWGGV-UHFFFAOYSA-N -1 1 331.332 1.678 20 5 EDBDMM COC(=O)c1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361909541 446058302 /nfs/dbraw/zinc/05/83/02/446058302.db2.gz ZXBQOHUAESTGJY-UHFFFAOYSA-N -1 1 331.284 1.412 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 ZINC000361914257 446061642 /nfs/dbraw/zinc/06/16/42/446061642.db2.gz AUQSKAMLLMVPQJ-QMMMGPOBSA-N -1 1 331.284 1.915 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cn2ccsc2n1 ZINC000534316313 448444961 /nfs/dbraw/zinc/44/49/61/448444961.db2.gz VTSJAHQABSNXBU-UHFFFAOYSA-N -1 1 339.358 1.178 20 5 EDBDMM C[C@H]1COCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000590388861 449143821 /nfs/dbraw/zinc/14/38/21/449143821.db2.gz OTOOOFXUKQBPJW-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM C[C@H](C(=O)[O-])C1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593272806 449200981 /nfs/dbraw/zinc/20/09/81/449200981.db2.gz CDGDCUDTYLHWIJ-SSDOTTSWSA-N -1 1 332.309 1.266 20 5 EDBDMM O=C(NC[C@@H]1C[C@H](c2ccccc2)CO1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598203368 449294003 /nfs/dbraw/zinc/29/40/03/449294003.db2.gz BXACUGKPGICJTO-KBPBESRZSA-N -1 1 343.339 1.998 20 5 EDBDMM O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000594384552 449483367 /nfs/dbraw/zinc/48/33/67/449483367.db2.gz DCNAVGFVZGUNKZ-NSHDSACASA-N -1 1 333.304 1.200 20 5 EDBDMM COC[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594479340 449543793 /nfs/dbraw/zinc/54/37/93/449543793.db2.gz SGLNSMLDJWSFSX-JTQLQIEISA-N -1 1 331.394 1.719 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594485662 449549255 /nfs/dbraw/zinc/54/92/55/449549255.db2.gz BIRBQHKPMJTECK-MNOVXSKESA-N -1 1 329.378 1.616 20 5 EDBDMM O=C(NCc1cccnc1N1CCCC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598748669 449579602 /nfs/dbraw/zinc/57/96/02/449579602.db2.gz NEQSAWOCZLFXJW-UHFFFAOYSA-N -1 1 343.343 1.621 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)C1CCC1 ZINC000594801403 449713013 /nfs/dbraw/zinc/71/30/13/449713013.db2.gz NAAAOBKUOFTZML-SNVBAGLBSA-N -1 1 334.781 1.688 20 5 EDBDMM CC(C)c1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599217264 449806111 /nfs/dbraw/zinc/80/61/11/449806111.db2.gz BJEARNCZIOYJMH-UHFFFAOYSA-N -1 1 338.389 1.930 20 5 EDBDMM CSc1ccc(C[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599219216 449808453 /nfs/dbraw/zinc/80/84/53/449808453.db2.gz WYZIVTUTZIDLKF-UHFFFAOYSA-N -1 1 342.402 1.529 20 5 EDBDMM Cc1cc(C)cc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])c1 ZINC000599228625 449815412 /nfs/dbraw/zinc/81/54/12/449815412.db2.gz JCISHJGTCBECNB-NSHDSACASA-N -1 1 338.389 1.985 20 5 EDBDMM CC1(C)CNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000595351657 450064864 /nfs/dbraw/zinc/06/48/64/450064864.db2.gz MUFDLYVBYGGHMH-SNVBAGLBSA-N -1 1 347.780 1.051 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)C[C@H](C)C(=O)[O-] ZINC000737906200 579138612 /nfs/dbraw/zinc/13/86/12/579138612.db2.gz XSHMCAGMSJXJSB-VIFPVBQESA-N -1 1 325.321 1.194 20 5 EDBDMM COCc1nsc([N-]C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC000784479031 580621970 /nfs/dbraw/zinc/62/19/70/580621970.db2.gz FFLNVJPLPGEJMC-UHFFFAOYSA-N -1 1 339.289 1.753 20 5 EDBDMM CC(C)C[C@@H](CCO)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820055593 593786846 /nfs/dbraw/zinc/78/68/46/593786846.db2.gz IKZBVLGNBDVUSP-SNVBAGLBSA-N -1 1 335.368 1.627 20 5 EDBDMM CC(C)C[C@@H](CCO)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820055593 593786847 /nfs/dbraw/zinc/78/68/47/593786847.db2.gz IKZBVLGNBDVUSP-SNVBAGLBSA-N -1 1 335.368 1.627 20 5 EDBDMM CC(C)COC[C@@H](O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820103195 593791404 /nfs/dbraw/zinc/79/14/04/593791404.db2.gz PDCQRUAUQOOBRB-NSHDSACASA-N -1 1 336.352 1.220 20 5 EDBDMM COC(=O)CCCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821660008 593901478 /nfs/dbraw/zinc/90/14/78/593901478.db2.gz CFMPDGHAXZFGDP-UHFFFAOYSA-N -1 1 335.324 1.315 20 5 EDBDMM COC(=O)CCCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821660008 593901480 /nfs/dbraw/zinc/90/14/80/593901480.db2.gz CFMPDGHAXZFGDP-UHFFFAOYSA-N -1 1 335.324 1.315 20 5 EDBDMM CCOC(=O)[C@@H](CC)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821321114 594015468 /nfs/dbraw/zinc/01/54/68/594015468.db2.gz TVYLNZDAVPRQRT-SECBINFHSA-N -1 1 338.349 1.604 20 5 EDBDMM Cc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000822236303 594016270 /nfs/dbraw/zinc/01/62/70/594016270.db2.gz SXNOYJBBQCYRQB-UHFFFAOYSA-N -1 1 326.320 1.528 20 5 EDBDMM O=C(Nc1ncc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000823379634 594194539 /nfs/dbraw/zinc/19/45/39/594194539.db2.gz BMTQUQFHGDPIMS-UHFFFAOYSA-N -1 1 335.280 1.623 20 5 EDBDMM O=C(Nc1ncc(-c2nn[n-]n2)s1)c1ccc([N+](=O)[O-])cc1F ZINC000823379634 594194540 /nfs/dbraw/zinc/19/45/40/594194540.db2.gz BMTQUQFHGDPIMS-UHFFFAOYSA-N -1 1 335.280 1.623 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823620517 594221785 /nfs/dbraw/zinc/22/17/85/594221785.db2.gz MPHWGNMBMCOBGX-FBIMIBRVSA-N -1 1 331.336 1.539 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823620517 594221786 /nfs/dbraw/zinc/22/17/86/594221786.db2.gz MPHWGNMBMCOBGX-FBIMIBRVSA-N -1 1 331.336 1.539 20 5 EDBDMM CN(C(=O)[O-])[C@@H]1CCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000827883091 594297295 /nfs/dbraw/zinc/29/72/95/594297295.db2.gz VYUXMOXHYFURGE-CHWSQXEVSA-N -1 1 339.348 1.019 20 5 EDBDMM CC[C@@H](C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828075495 594335511 /nfs/dbraw/zinc/33/55/11/594335511.db2.gz BVPJFMAZBANTRZ-NXEZZACHSA-N -1 1 334.369 1.809 20 5 EDBDMM CC[C@@H](C)C[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000828075498 594336073 /nfs/dbraw/zinc/33/60/73/594336073.db2.gz BVPJFMAZBANTRZ-ZJUUUORDSA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CO1 ZINC000828288615 594383816 /nfs/dbraw/zinc/38/38/16/594383816.db2.gz NVWVVRCJQMUDQV-RQJHMYQMSA-N -1 1 338.744 1.843 20 5 EDBDMM Cc1nn(Cc2ccnc(-c3nnn[n-]3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000826334903 594431220 /nfs/dbraw/zinc/43/12/20/594431220.db2.gz OKSIZYBFMYJQPH-UHFFFAOYSA-N -1 1 336.315 1.876 20 5 EDBDMM Cc1nn(Cc2ccnc(-c3nn[n-]n3)c2)c2ccc([N+](=O)[O-])cc12 ZINC000826334903 594431222 /nfs/dbraw/zinc/43/12/22/594431222.db2.gz OKSIZYBFMYJQPH-UHFFFAOYSA-N -1 1 336.315 1.876 20 5 EDBDMM O=C([N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl)c1ncccn1 ZINC000826451016 594480851 /nfs/dbraw/zinc/48/08/51/594480851.db2.gz MJGDFCFZMSNHKM-UHFFFAOYSA-N -1 1 346.694 1.471 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826496568 594501157 /nfs/dbraw/zinc/50/11/57/594501157.db2.gz ABNLBXNQZYBSCE-ZJUUUORDSA-N -1 1 331.336 1.033 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000826496568 594501158 /nfs/dbraw/zinc/50/11/58/594501158.db2.gz ABNLBXNQZYBSCE-ZJUUUORDSA-N -1 1 331.336 1.033 20 5 EDBDMM CN1CCN(C)[C@H](CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830951089 594521662 /nfs/dbraw/zinc/52/16/62/594521662.db2.gz UCZOMUAVLYMSLY-SECBINFHSA-N -1 1 342.783 1.604 20 5 EDBDMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000829257607 594588913 /nfs/dbraw/zinc/58/89/13/594588913.db2.gz NOBIOSSQRRSQET-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000843836686 595197691 /nfs/dbraw/zinc/19/76/91/595197691.db2.gz XBGBNSPAJRNASV-SECBINFHSA-N -1 1 334.311 1.575 20 5 EDBDMM C[C@H]([N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1)c1ncn(C)n1 ZINC000848592927 595412299 /nfs/dbraw/zinc/41/22/99/595412299.db2.gz RVONJNASXCWLPQ-QMMMGPOBSA-N -1 1 341.274 1.572 20 5 EDBDMM O=C([N-][C@@H](CO)CC(F)F)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848592983 595412491 /nfs/dbraw/zinc/41/24/91/595412491.db2.gz UNEMSAAHZRWESD-SSDOTTSWSA-N -1 1 340.229 1.699 20 5 EDBDMM Cc1cc(F)c(S(=O)(=O)[N-]N=c2[nH]cccc2[N+](=O)[O-])cc1F ZINC000121811925 596544177 /nfs/dbraw/zinc/54/41/77/596544177.db2.gz LQSNNYHKBQHBAE-UHFFFAOYSA-N -1 1 344.299 1.882 20 5 EDBDMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1C(=O)[O-] ZINC000739174413 602809142 /nfs/dbraw/zinc/80/91/42/602809142.db2.gz NDACLRAXIBOJLT-DTORHVGOSA-N -1 1 347.331 1.684 20 5 EDBDMM C[C@H]1COC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000921498250 700158922 /nfs/dbraw/zinc/15/89/22/700158922.db2.gz CBIMLCIFLOUPCF-IMTBSYHQSA-N -1 1 338.744 1.701 20 5 EDBDMM C[C@H]([C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000558685705 306244018 /nfs/dbraw/zinc/24/40/18/306244018.db2.gz PHVDADFWEYUVHB-CPCISQLKSA-N -1 1 346.336 1.512 20 5 EDBDMM C[C@@H](CO)[N-]S(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000038105359 213202146 /nfs/dbraw/zinc/20/21/46/213202146.db2.gz RHSJIWJYRAGZOH-LURJTMIESA-N -1 1 339.167 1.016 20 5 EDBDMM C[C@]1(C(=O)[O-])CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000263320199 139335697 /nfs/dbraw/zinc/33/56/97/139335697.db2.gz NHURANBNOZCVSH-HNNXBMFYSA-N -1 1 332.316 1.798 20 5 EDBDMM CCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263649605 139349962 /nfs/dbraw/zinc/34/99/62/139349962.db2.gz AWOUKMURRHXJAD-SSDOTTSWSA-N -1 1 335.769 1.051 20 5 EDBDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000492238210 255164332 /nfs/dbraw/zinc/16/43/32/255164332.db2.gz GZWLXEUEXJKLOG-DGMVEKRQSA-N -1 1 328.332 1.527 20 5 EDBDMM C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000271309925 140275650 /nfs/dbraw/zinc/27/56/50/140275650.db2.gz YKXVDHMCXVNMFE-UWVGGRQHSA-N -1 1 332.353 1.827 20 5 EDBDMM Cc1nc(C[N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)no1 ZINC000416408992 304316556 /nfs/dbraw/zinc/31/65/56/304316556.db2.gz SYSANXMVNGSYSK-UHFFFAOYSA-N -1 1 326.334 1.382 20 5 EDBDMM C[C@H](CC(=O)OC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000346204627 143178687 /nfs/dbraw/zinc/17/86/87/143178687.db2.gz LRTBOTUBIZBRIS-MRVPVSSYSA-N -1 1 325.321 1.546 20 5 EDBDMM C[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000416559829 304331500 /nfs/dbraw/zinc/33/15/00/304331500.db2.gz KLQJEMPUYGHJGK-LLVKDONJSA-N -1 1 345.396 1.744 20 5 EDBDMM CCc1nc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000357346724 151003440 /nfs/dbraw/zinc/00/34/40/151003440.db2.gz AUSHZHQXZHMVMG-UHFFFAOYSA-N -1 1 332.363 1.123 20 5 EDBDMM CN(C[C@H]1CCn2ccnc2C1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369515806 155066251 /nfs/dbraw/zinc/06/62/51/155066251.db2.gz BCOSXISFMZGDPW-JTQLQIEISA-N -1 1 331.332 1.227 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@@H]2CCCOC2)CC1 ZINC000378576196 158212955 /nfs/dbraw/zinc/21/29/55/158212955.db2.gz YMLCZNBICGFKQB-GFCCVEGCSA-N -1 1 335.360 1.974 20 5 EDBDMM O=C(NCCc1ccc2c(c1)OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274922178 268239111 /nfs/dbraw/zinc/23/91/11/268239111.db2.gz XSJGUCPMJLESIM-UHFFFAOYSA-N -1 1 345.311 1.439 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280680464 273384964 /nfs/dbraw/zinc/38/49/64/273384964.db2.gz CJZHKPGZABJBFT-TXEJJXNPSA-N -1 1 337.376 1.530 20 5 EDBDMM CCc1ccc([C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000289474834 288709069 /nfs/dbraw/zinc/70/90/69/288709069.db2.gz XKGTUPKMZYOEKX-AWEZNQCLSA-N -1 1 331.328 1.721 20 5 EDBDMM O=C([N-]C[C@H]1CCCN(c2ncccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000290813247 288957401 /nfs/dbraw/zinc/95/74/01/288957401.db2.gz ZXCRGBJJVRLRIH-SECBINFHSA-N -1 1 332.282 1.885 20 5 EDBDMM CCC[C@](C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000298960146 303573371 /nfs/dbraw/zinc/57/33/71/303573371.db2.gz GOWNFQHTFNNJOK-ZDUSSCGKSA-N -1 1 348.352 1.744 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c([N+](=O)[O-])n1 ZINC000435937021 305149765 /nfs/dbraw/zinc/14/97/65/305149765.db2.gz NRFIFUQFRYIXEG-UHFFFAOYSA-N -1 1 328.354 1.459 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000436555690 305160632 /nfs/dbraw/zinc/16/06/32/305160632.db2.gz NBWAMKSJMNTDMT-QMMMGPOBSA-N -1 1 334.288 1.409 20 5 EDBDMM CNC(=O)C[C@@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451956587 305373979 /nfs/dbraw/zinc/37/39/79/305373979.db2.gz OFXVWKVGSFPNFU-SSDOTTSWSA-N -1 1 335.769 1.051 20 5 EDBDMM O=C(NCc1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000014409190 441184930 /nfs/dbraw/zinc/18/49/30/441184930.db2.gz FBVDCBYDINHAJF-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000060850196 441259172 /nfs/dbraw/zinc/25/91/72/441259172.db2.gz NPLXTQRDDABZAO-AOOOYVTPSA-N -1 1 345.363 1.843 20 5 EDBDMM C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)Nc3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000060850196 441259175 /nfs/dbraw/zinc/25/91/75/441259175.db2.gz NPLXTQRDDABZAO-AOOOYVTPSA-N -1 1 345.363 1.843 20 5 EDBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000107310395 441408756 /nfs/dbraw/zinc/40/87/56/441408756.db2.gz SVNAQHFMZACVGR-UHFFFAOYSA-N -1 1 331.375 1.782 20 5 EDBDMM O=C(NCCc1ccccc1[N+](=O)[O-])c1nc2ccccc2c(=O)[n-]1 ZINC000075503361 441529027 /nfs/dbraw/zinc/52/90/27/441529027.db2.gz CCPQLEDVHYOSMD-UHFFFAOYSA-N -1 1 338.323 1.804 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)s1 ZINC000125875146 442057846 /nfs/dbraw/zinc/05/78/46/442057846.db2.gz TUTCHEUCOYUWQD-LLVKDONJSA-N -1 1 342.398 1.538 20 5 EDBDMM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000162843172 442126865 /nfs/dbraw/zinc/12/68/65/442126865.db2.gz IEVFSVORHAAVNX-CQSZACIVSA-N -1 1 343.339 1.939 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nccn2C(F)F)s1 ZINC000175836560 442131584 /nfs/dbraw/zinc/13/15/84/442131584.db2.gz XIUVNDKLDOOLST-UHFFFAOYSA-N -1 1 338.317 1.726 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@@H](C)O1 ZINC000184619791 443050306 /nfs/dbraw/zinc/05/03/06/443050306.db2.gz DANXJEVNJVNXSX-VXGBXAGGSA-N -1 1 337.376 1.530 20 5 EDBDMM C[C@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C[C@@H](C)O2 ZINC000279136241 443518854 /nfs/dbraw/zinc/51/88/54/443518854.db2.gz AIASPOVDOHWWEW-IQMDTDKHSA-N -1 1 337.332 1.104 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(c2nc[nH]n2)CCC1 ZINC000281242091 443857345 /nfs/dbraw/zinc/85/73/45/443857345.db2.gz TYHLHCDKADJEQD-UHFFFAOYSA-N -1 1 341.324 1.210 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000277719022 444030940 /nfs/dbraw/zinc/03/09/40/444030940.db2.gz XYLFLFHNOUQSKI-GMSGAONNSA-N -1 1 349.265 1.471 20 5 EDBDMM O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278287558 444129695 /nfs/dbraw/zinc/12/96/95/444129695.db2.gz ZOFQUHBWUYIMRG-LLVKDONJSA-N -1 1 349.318 1.416 20 5 EDBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000342810888 444876270 /nfs/dbraw/zinc/87/62/70/444876270.db2.gz XRQQWRPTJPTITR-UHFFFAOYSA-N -1 1 338.297 1.799 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCCc3occc32)c([N+](=O)[O-])n1 ZINC000339043478 445004838 /nfs/dbraw/zinc/00/48/38/445004838.db2.gz LMRBFIUZWDYTLE-JTQLQIEISA-N -1 1 340.361 1.760 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@@H]2O)c([N+](=O)[O-])n1 ZINC000339045482 445005765 /nfs/dbraw/zinc/00/57/65/445005765.db2.gz PMHOBQYPPUQZOP-WCQYABFASA-N -1 1 346.409 1.031 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(=O)Nc1ccccc1 ZINC000351739599 445301087 /nfs/dbraw/zinc/30/10/87/445301087.db2.gz FRHJKWCLJKCRLY-SECBINFHSA-N -1 1 330.300 1.452 20 5 EDBDMM C[C@@H]1C[C@@H]1[N@H+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000583324594 326050977 /nfs/dbraw/zinc/05/09/77/326050977.db2.gz AUHOANCECZIHQO-LOWVWBTDSA-N -1 1 334.376 1.855 20 5 EDBDMM O=C(Nc1n[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc([O-])cc1 ZINC000436703156 446736200 /nfs/dbraw/zinc/73/62/00/446736200.db2.gz CXKSMVQGNMSCHS-UHFFFAOYSA-N -1 1 326.268 1.998 20 5 EDBDMM CNc1nc(C(=O)[N-]c2nnc(C(C)(C)C)s2)ccc1[N+](=O)[O-] ZINC000454940639 447010929 /nfs/dbraw/zinc/01/09/29/447010929.db2.gz JFRNPWFZYQPVKQ-UHFFFAOYSA-N -1 1 336.377 2.433 20 5 EDBDMM Cc1n[nH]cc1-c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000368736726 447075722 /nfs/dbraw/zinc/07/57/22/447075722.db2.gz WTYKZFYCPJYZKG-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000445000821 447155576 /nfs/dbraw/zinc/15/55/76/447155576.db2.gz PJNWWGMVCGUODM-GFCCVEGCSA-N -1 1 337.332 1.106 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000421775819 447248326 /nfs/dbraw/zinc/24/83/26/447248326.db2.gz YMPLVEXAQVBFAN-UHFFFAOYSA-N -1 1 330.348 1.924 20 5 EDBDMM CC(C)[C@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533122800 448363369 /nfs/dbraw/zinc/36/33/69/448363369.db2.gz WDTYWNXPQQLTMB-NSHDSACASA-N -1 1 331.394 1.311 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000533178308 448369525 /nfs/dbraw/zinc/36/95/25/448369525.db2.gz DRDFIWJLTCYLNN-ZYHUDNBSSA-N -1 1 349.368 1.833 20 5 EDBDMM Cc1noc(C)c1[C@H](C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533555297 448416336 /nfs/dbraw/zinc/41/63/36/448416336.db2.gz DPVVFJYCXJENCQ-MRVPVSSYSA-N -1 1 340.361 1.677 20 5 EDBDMM O=C(NCc1nc2ccccc2c(=O)[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000578654506 448605773 /nfs/dbraw/zinc/60/57/73/448605773.db2.gz QHQCMMWQUTVTDQ-UHFFFAOYSA-N -1 1 341.283 1.274 20 5 EDBDMM C[C@@H]1CN(CCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000567981778 448791981 /nfs/dbraw/zinc/79/19/81/448791981.db2.gz YNJAKRYHPYLNIK-GHMZBOCLSA-N -1 1 338.364 1.599 20 5 EDBDMM CO[C@@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(F)(F)F ZINC000593580839 449088516 /nfs/dbraw/zinc/08/85/16/449088516.db2.gz DDHHNZBXOJRXHO-QMMMGPOBSA-N -1 1 343.283 1.236 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000592976020 449091119 /nfs/dbraw/zinc/09/11/19/449091119.db2.gz PHDKWDVILOXXQN-CYBMUJFWSA-N -1 1 349.387 1.842 20 5 EDBDMM CC(C)CCc1cc([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])n[nH]1 ZINC000600667069 449481332 /nfs/dbraw/zinc/48/13/32/449481332.db2.gz REHLNWQFHRIBJN-UHFFFAOYSA-N -1 1 342.381 1.441 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)s1 ZINC000598608345 449490614 /nfs/dbraw/zinc/49/06/14/449490614.db2.gz ROCWGKNFRHHINI-UHFFFAOYSA-N -1 1 342.402 1.850 20 5 EDBDMM COc1nc(C)cc(C)c1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598779624 449596982 /nfs/dbraw/zinc/59/69/82/449596982.db2.gz ILEJBGPKUJTAER-UHFFFAOYSA-N -1 1 346.343 1.988 20 5 EDBDMM CC(C)c1nnc([C@@H](C)[N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])[nH]1 ZINC000594766033 449679024 /nfs/dbraw/zinc/67/90/24/449679024.db2.gz JGFUGARUURXAFI-MRVPVSSYSA-N -1 1 340.365 1.271 20 5 EDBDMM COc1c(C)cccc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599336913 449903024 /nfs/dbraw/zinc/90/30/24/449903024.db2.gz PEFOMPNHYFAZSF-UHFFFAOYSA-N -1 1 340.361 1.124 20 5 EDBDMM CCc1cc(NCc2nn[n-]n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000609496733 450038926 /nfs/dbraw/zinc/03/89/26/450038926.db2.gz OZGLCWREUWYSKG-UHFFFAOYSA-N -1 1 326.320 1.161 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1OCCc2ccccc21 ZINC000610263618 450173597 /nfs/dbraw/zinc/17/35/97/450173597.db2.gz HATLMSYNMDQKHG-ZDUSSCGKSA-N -1 1 349.368 1.582 20 5 EDBDMM COc1ccccc1OCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618374091 450182781 /nfs/dbraw/zinc/18/27/81/450182781.db2.gz FYSMEEOATSZKGW-UHFFFAOYSA-N -1 1 347.327 1.903 20 5 EDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2n[nH]nc2c1 ZINC000619467881 450482002 /nfs/dbraw/zinc/48/20/02/450482002.db2.gz KMHCTIKYBMDJAI-UHFFFAOYSA-N -1 1 349.328 1.676 20 5 EDBDMM COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2nn[nH]c2c1 ZINC000619467881 450482003 /nfs/dbraw/zinc/48/20/03/450482003.db2.gz KMHCTIKYBMDJAI-UHFFFAOYSA-N -1 1 349.328 1.676 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc2C1 ZINC000741756532 579427327 /nfs/dbraw/zinc/42/73/27/579427327.db2.gz LLYLWOACFZGCTM-LLVKDONJSA-N -1 1 349.368 1.519 20 5 EDBDMM O=C([N-]N1CCCC1=O)c1cccc([N+](=O)[O-])c1Br ZINC000760873332 580040325 /nfs/dbraw/zinc/04/03/25/580040325.db2.gz LDMIHRYVLLYJNE-UHFFFAOYSA-N -1 1 328.122 1.625 20 5 EDBDMM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000739583998 579221572 /nfs/dbraw/zinc/22/15/72/579221572.db2.gz IDOYQUBXAYLCKS-JTQLQIEISA-N -1 1 347.331 1.686 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CCO)c1cccs1 ZINC000751433855 579806456 /nfs/dbraw/zinc/80/64/56/579806456.db2.gz AXVKYGWNOFQAJK-VIFPVBQESA-N -1 1 343.386 1.453 20 5 EDBDMM CC(=CC(=O)N1CCO[C@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000752105013 579838590 /nfs/dbraw/zinc/83/85/90/579838590.db2.gz SIULOMFDYVDAGH-FROQITRMSA-N -1 1 344.331 1.111 20 5 EDBDMM C[C@@H]1CN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000769047982 580226394 /nfs/dbraw/zinc/22/63/94/580226394.db2.gz LNYOKISZYVQNOG-AOOOYVTPSA-N -1 1 338.316 1.093 20 5 EDBDMM Nc1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cc1[N+](=O)[O-] ZINC000773315230 580333748 /nfs/dbraw/zinc/33/37/48/580333748.db2.gz OYKUQKQYMXKLPF-SECBINFHSA-N -1 1 333.304 1.285 20 5 EDBDMM O=C(Oc1ccc2c(c1)NC(=O)CC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000781147087 580543165 /nfs/dbraw/zinc/54/31/65/580543165.db2.gz NJGPQSNKBSHZGV-UHFFFAOYSA-N -1 1 329.268 1.799 20 5 EDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000792521652 580822269 /nfs/dbraw/zinc/82/22/69/580822269.db2.gz HKWCDMHAYDMEAE-MRVPVSSYSA-N -1 1 340.336 1.338 20 5 EDBDMM Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C(C)C)N(C)C)ccc1[N+](=O)[O-] ZINC000798830015 581009975 /nfs/dbraw/zinc/00/99/75/581009975.db2.gz SKSATNQQFHLDSZ-ZDUSSCGKSA-N -1 1 343.405 1.294 20 5 EDBDMM O=C(OCc1ccc(Br)c([N+](=O)[O-])c1)c1cn[n-]n1 ZINC000805605580 593112223 /nfs/dbraw/zinc/11/22/23/593112223.db2.gz KVWSAEKFEFCBHV-UHFFFAOYSA-N -1 1 327.094 1.832 20 5 EDBDMM Cc1ccc([C@H](O)[C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000804478079 593418132 /nfs/dbraw/zinc/41/81/32/593418132.db2.gz BDCNIGQMDZCDBN-IINYFYTJSA-N -1 1 331.328 1.856 20 5 EDBDMM CCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815011815 593609319 /nfs/dbraw/zinc/60/93/19/593609319.db2.gz AYVHLDDWFHCRAN-UHFFFAOYSA-N -1 1 340.716 1.229 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])C(C)(C)O ZINC000815015765 593609693 /nfs/dbraw/zinc/60/96/93/593609693.db2.gz PVCXTKWUZVAQKL-ZCFIWIBFSA-N -1 1 340.760 1.825 20 5 EDBDMM CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000823968015 593896489 /nfs/dbraw/zinc/89/64/89/593896489.db2.gz TXLYJPQUMJUZIJ-UHFFFAOYSA-N -1 1 345.363 1.222 20 5 EDBDMM CC(=O)N(C)C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000823968015 593896490 /nfs/dbraw/zinc/89/64/90/593896490.db2.gz TXLYJPQUMJUZIJ-UHFFFAOYSA-N -1 1 345.363 1.222 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823620520 594221894 /nfs/dbraw/zinc/22/18/94/594221894.db2.gz MPHWGNMBMCOBGX-JMJZKYOTSA-N -1 1 331.336 1.539 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823620520 594221895 /nfs/dbraw/zinc/22/18/95/594221895.db2.gz MPHWGNMBMCOBGX-JMJZKYOTSA-N -1 1 331.336 1.539 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCO[C@H](c2ccco2)C1 ZINC000823620960 594222080 /nfs/dbraw/zinc/22/20/80/594222080.db2.gz UQPUNMODUKWCTO-NSHDSACASA-N -1 1 343.303 1.341 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCO[C@H](c2ccco2)C1 ZINC000823620960 594222081 /nfs/dbraw/zinc/22/20/81/594222081.db2.gz UQPUNMODUKWCTO-NSHDSACASA-N -1 1 343.303 1.341 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1nccn1C(F)F ZINC000823624909 594222553 /nfs/dbraw/zinc/22/25/53/594222553.db2.gz KFIDEJBPTMTKAV-UHFFFAOYSA-N -1 1 337.250 1.374 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1nccn1C(F)F ZINC000823624909 594222554 /nfs/dbraw/zinc/22/25/54/594222554.db2.gz KFIDEJBPTMTKAV-UHFFFAOYSA-N -1 1 337.250 1.374 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000828020812 594323899 /nfs/dbraw/zinc/32/38/99/594323899.db2.gz XEOMONQFYLAHQK-MLGOLLRUSA-N -1 1 347.327 1.023 20 5 EDBDMM O=[N+]([O-])c1cccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)c1 ZINC000826499640 594503424 /nfs/dbraw/zinc/50/34/24/594503424.db2.gz QPTBCFAPTVWTBS-UHFFFAOYSA-N -1 1 338.331 1.734 20 5 EDBDMM O=[N+]([O-])c1cccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)c1 ZINC000826499640 594503426 /nfs/dbraw/zinc/50/34/26/594503426.db2.gz QPTBCFAPTVWTBS-UHFFFAOYSA-N -1 1 338.331 1.734 20 5 EDBDMM Cc1c(NC(=O)[C@H](C)N2C[C@H](C)[C@H](C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000832857504 594781436 /nfs/dbraw/zinc/78/14/36/594781436.db2.gz QJSOKOQGEVLNER-ZMLRMANQSA-N -1 1 335.360 1.883 20 5 EDBDMM Cc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)c2)ccc1[N+](=O)[O-] ZINC000832903506 594784068 /nfs/dbraw/zinc/78/40/68/594784068.db2.gz KJBQPNNEKUNTDR-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000841534606 594917028 /nfs/dbraw/zinc/91/70/28/594917028.db2.gz KOPRKWUAVZCMTK-GFCCVEGCSA-N -1 1 342.373 1.008 20 5 EDBDMM CN(C[C@]1(O)CCc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000843962122 595227155 /nfs/dbraw/zinc/22/71/55/595227155.db2.gz WYSKNLGZUMZBGB-QGZVFWFLSA-N -1 1 343.339 1.601 20 5 EDBDMM C[C@@](CNC(=O)[O-])(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000738922726 602441036 /nfs/dbraw/zinc/44/10/36/602441036.db2.gz CDYKXGPGQQREAJ-HNNXBMFYSA-N -1 1 347.331 1.637 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCCCCC2)ccc1[O-] ZINC000914746877 695638800 /nfs/dbraw/zinc/63/88/00/695638800.db2.gz GWZQQDZTBJHNIQ-UHFFFAOYSA-N -1 1 343.405 1.455 20 5 EDBDMM CC(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000559616273 306257055 /nfs/dbraw/zinc/25/70/55/306257055.db2.gz PJSXQZLAQPKPGR-AAEUAGOBSA-N -1 1 343.405 1.719 20 5 EDBDMM Nc1ccc(C(=O)NCCc2n[n-]c(=S)n2C2CC2)cc1[N+](=O)[O-] ZINC000067093893 215113410 /nfs/dbraw/zinc/11/34/10/215113410.db2.gz VSQPUUARNNKBMG-UHFFFAOYSA-N -1 1 348.388 1.738 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CCC(=O)[O-] ZINC000262626311 139291162 /nfs/dbraw/zinc/29/11/62/139291162.db2.gz FYMUFMHBEJIOCF-VIFPVBQESA-N -1 1 325.321 1.337 20 5 EDBDMM C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H](C(=O)[O-])C1 ZINC000263088435 139321752 /nfs/dbraw/zinc/32/17/52/139321752.db2.gz SMDYNMBLVUZXNS-UFBFGSQYSA-N -1 1 332.316 1.796 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(CC(F)F)CC1 ZINC000153662960 224138555 /nfs/dbraw/zinc/13/85/55/224138555.db2.gz QNTZCFXGXUAJHI-UHFFFAOYSA-N -1 1 330.291 1.108 20 5 EDBDMM O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000299062571 140636051 /nfs/dbraw/zinc/63/60/51/140636051.db2.gz CRKUCEUYOSFDLV-LLVKDONJSA-N -1 1 348.359 1.074 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000345486285 143097045 /nfs/dbraw/zinc/09/70/45/143097045.db2.gz RLSPGQFTEUCMGS-UHFFFAOYSA-N -1 1 342.319 1.184 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc2ccccc2[nH]1 ZINC000573146589 306613264 /nfs/dbraw/zinc/61/32/64/306613264.db2.gz NFQQPYSTGVVUCU-UHFFFAOYSA-N -1 1 332.341 1.950 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000352713771 149125653 /nfs/dbraw/zinc/12/56/53/149125653.db2.gz PVFSWJKDZIIZCF-QMMMGPOBSA-N -1 1 326.334 1.634 20 5 EDBDMM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278124609 273248276 /nfs/dbraw/zinc/24/82/76/273248276.db2.gz SXMBUTLHNSNSQB-MRVPVSSYSA-N -1 1 340.336 1.338 20 5 EDBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000193702546 278543412 /nfs/dbraw/zinc/54/34/12/278543412.db2.gz AYLKNOHRHCUBIJ-ZWNOBZJWSA-N -1 1 331.332 1.615 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1=CCCOC1 ZINC000287121432 288160814 /nfs/dbraw/zinc/16/08/14/288160814.db2.gz ATGPFUSNUCBIHY-UHFFFAOYSA-N -1 1 332.765 1.873 20 5 EDBDMM O=C(NCCCc1nnc2ccccn21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445186747 305257644 /nfs/dbraw/zinc/25/76/44/305257644.db2.gz PKMDMFYYAFPFME-UHFFFAOYSA-N -1 1 342.315 1.101 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](c2ncc[nH]2)C(C)C)c([N+](=O)[O-])n1 ZINC000451549662 305352718 /nfs/dbraw/zinc/35/27/18/305352718.db2.gz PZMJUXQCNSJUQV-JTQLQIEISA-N -1 1 342.381 1.210 20 5 EDBDMM Cc1cnc(C(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c([O-])c1 ZINC000548627560 306133025 /nfs/dbraw/zinc/13/30/25/306133025.db2.gz OTUVYSJKUNMJNQ-UHFFFAOYSA-N -1 1 343.343 1.361 20 5 EDBDMM O=C(NCCOc1ccc(Cl)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028813120 441438466 /nfs/dbraw/zinc/43/84/66/441438466.db2.gz QUUMWECBGISDIB-UHFFFAOYSA-N -1 1 337.719 1.745 20 5 EDBDMM CCn1c(CNC(=O)COc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000066636893 441555798 /nfs/dbraw/zinc/55/57/98/441555798.db2.gz IVNIIATXXYOSPR-UHFFFAOYSA-N -1 1 337.361 1.564 20 5 EDBDMM COc1ccc(OC)c([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000138243981 441786800 /nfs/dbraw/zinc/78/68/00/441786800.db2.gz FSFODYPFJXMLSI-VIFPVBQESA-N -1 1 347.327 1.791 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)N(C)C ZINC000146811516 441900930 /nfs/dbraw/zinc/90/09/30/441900930.db2.gz OPNZTRIUNUMRLY-ZETCQYMHSA-N -1 1 335.769 1.003 20 5 EDBDMM C[C@@H](N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1)C(F)(F)F ZINC000175428101 442060982 /nfs/dbraw/zinc/06/09/82/442060982.db2.gz LXPMFPKFEBPUKA-MRVPVSSYSA-N -1 1 348.281 1.404 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2cccc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000130358818 442344337 /nfs/dbraw/zinc/34/43/37/442344337.db2.gz HMFLOQVWCKPYKF-TXEJJXNPSA-N -1 1 337.376 1.530 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000129398081 442314661 /nfs/dbraw/zinc/31/46/61/442314661.db2.gz UPYVOQACSLFMGK-FZKGZDJFSA-N -1 1 328.332 1.527 20 5 EDBDMM Cc1c(C(=O)Nc2ncccc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000192522048 442657228 /nfs/dbraw/zinc/65/72/28/442657228.db2.gz VFTCCCUDPZSWQZ-UHFFFAOYSA-N -1 1 340.299 1.837 20 5 EDBDMM O=C(NC1CCN(CC(F)(F)F)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193482873 442747212 /nfs/dbraw/zinc/74/72/12/442747212.db2.gz ZLLKJIKUBGHKPC-UHFFFAOYSA-N -1 1 348.281 1.452 20 5 EDBDMM CC(C)Oc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000413692495 319288342 /nfs/dbraw/zinc/28/83/42/319288342.db2.gz XBQAPFVEERJCRY-SNVBAGLBSA-N -1 1 348.363 1.771 20 5 EDBDMM C[C@@H]1OCC[C@@]12CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C[C@@H](C)O2 ZINC000279180690 443527083 /nfs/dbraw/zinc/52/70/83/443527083.db2.gz BRDZFKQIDLTNTH-HFBDOXOYSA-N -1 1 337.332 1.104 20 5 EDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC2(CCOCC2)O1 ZINC000279218429 443539249 /nfs/dbraw/zinc/53/92/49/443539249.db2.gz NJGUKHAPYRTCMY-SNVBAGLBSA-N -1 1 337.332 1.106 20 5 EDBDMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000279274250 443547942 /nfs/dbraw/zinc/54/79/42/443547942.db2.gz ZNYLLZAVAQRXBI-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM C[C@H](CO)[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000283529377 443654677 /nfs/dbraw/zinc/65/46/77/443654677.db2.gz MBQJOTARSLIZNR-RXMQYKEDSA-N -1 1 329.161 1.561 20 5 EDBDMM COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000448738627 320155639 /nfs/dbraw/zinc/15/56/39/320155639.db2.gz PQJGOVLXGBVXOC-XWIASGKRSA-N -1 1 349.343 1.642 20 5 EDBDMM O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])[n-]1 ZINC000299072770 443946577 /nfs/dbraw/zinc/94/65/77/443946577.db2.gz RJLVGLSCTHKIMK-UHFFFAOYSA-N -1 1 344.327 1.648 20 5 EDBDMM O=c1nc([C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)[nH][n-]1 ZINC000285821791 444119622 /nfs/dbraw/zinc/11/96/22/444119622.db2.gz ZLWVDJDFVUOOLP-SNVBAGLBSA-N -1 1 340.343 1.938 20 5 EDBDMM CO[C@H](C)c1nc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cs1 ZINC000278283537 444128893 /nfs/dbraw/zinc/12/88/93/444128893.db2.gz ZFDJYRYWKRDRPE-SSDOTTSWSA-N -1 1 338.345 1.789 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000289601148 444179324 /nfs/dbraw/zinc/17/93/24/444179324.db2.gz WOQSLSXFAWZYDM-ZETCQYMHSA-N -1 1 326.334 1.513 20 5 EDBDMM COC(=O)CNC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340590204 444452097 /nfs/dbraw/zinc/45/20/97/444452097.db2.gz BHMRRXCYLAFEFD-UHFFFAOYSA-N -1 1 346.299 1.078 20 5 EDBDMM Cc1sc(S(=O)(=O)[N-]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000342500012 444718298 /nfs/dbraw/zinc/71/82/98/444718298.db2.gz OVQZCPMTZTUOID-MRVPVSSYSA-N -1 1 348.324 1.556 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2(CC)CCOCC2)c([N+](=O)[O-])n1 ZINC000330530818 445020766 /nfs/dbraw/zinc/02/07/66/445020766.db2.gz MHGXWOYDXNXFEH-UHFFFAOYSA-N -1 1 332.382 1.049 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1CCN(C2CC2)C1 ZINC000339042008 445003424 /nfs/dbraw/zinc/00/34/24/445003424.db2.gz WUZQQJWRGPPIQS-SECBINFHSA-N -1 1 345.808 1.763 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000339045484 445006144 /nfs/dbraw/zinc/00/61/44/445006144.db2.gz PMHOBQYPPUQZOP-YPMHNXCESA-N -1 1 346.409 1.031 20 5 EDBDMM CC(C)(NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000354789686 445389401 /nfs/dbraw/zinc/38/94/01/445389401.db2.gz SFESEWQUVMFLOU-UHFFFAOYSA-N -1 1 331.336 1.347 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2ncc(C)o2)c([N+](=O)[O-])n1 ZINC000352089398 445484941 /nfs/dbraw/zinc/48/49/41/445484941.db2.gz LLNDYTFOZHQLNO-QMMMGPOBSA-N -1 1 329.338 1.147 20 5 EDBDMM CCn1nnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000348936315 445448286 /nfs/dbraw/zinc/44/82/86/445448286.db2.gz SIXZHDFZVWURDW-UHFFFAOYSA-N -1 1 327.304 1.849 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-]Cc1cccc([N+](=O)[O-])c1C ZINC000349447733 445589759 /nfs/dbraw/zinc/58/97/59/445589759.db2.gz HSNDPCFHXIBVMU-UHFFFAOYSA-N -1 1 326.334 1.260 20 5 EDBDMM CCc1nc([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)no1 ZINC000373100516 446025841 /nfs/dbraw/zinc/02/58/41/446025841.db2.gz SBSAHEJVTXUWJH-VIFPVBQESA-N -1 1 347.331 1.661 20 5 EDBDMM CC(=O)Nc1cccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000361905660 446054664 /nfs/dbraw/zinc/05/46/64/446054664.db2.gz ATXAKGLICBLEMR-UHFFFAOYSA-N -1 1 330.300 1.584 20 5 EDBDMM COc1cccc2c1C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000412412680 446951738 /nfs/dbraw/zinc/95/17/38/446951738.db2.gz CXPIMKXPGMBXQI-SNVBAGLBSA-N -1 1 329.312 1.601 20 5 EDBDMM O=C(N[C@@H](CO)c1c(F)cccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445148568 447173714 /nfs/dbraw/zinc/17/37/14/447173714.db2.gz BVIFKKWPBYOFTL-JTQLQIEISA-N -1 1 339.254 1.437 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(=O)N(Cc2ccccc2)C1 ZINC000445145567 447173934 /nfs/dbraw/zinc/17/39/34/447173934.db2.gz VKXKCQVYVLHEJY-UHFFFAOYSA-N -1 1 342.311 1.138 20 5 EDBDMM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445176435 447178023 /nfs/dbraw/zinc/17/80/23/447178023.db2.gz UUXCLEGXHRVQKZ-LLVKDONJSA-N -1 1 336.348 1.072 20 5 EDBDMM CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1 ZINC000593580008 449087218 /nfs/dbraw/zinc/08/72/18/449087218.db2.gz IDKOKFBMUAAMKX-UHFFFAOYSA-N -1 1 327.284 1.999 20 5 EDBDMM Nc1nccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000548714430 449087691 /nfs/dbraw/zinc/08/76/91/449087691.db2.gz IRUJIXIWWCDRBY-UHFFFAOYSA-N -1 1 343.328 1.738 20 5 EDBDMM O=C([O-])CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000598659582 449524652 /nfs/dbraw/zinc/52/46/52/449524652.db2.gz XXUTWYSMMXQOEA-UHFFFAOYSA-N -1 1 332.316 1.941 20 5 EDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000609850579 450105122 /nfs/dbraw/zinc/10/51/22/450105122.db2.gz DFCHJYDDNLTUMA-GFCCVEGCSA-N -1 1 344.389 1.602 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000610337771 450196047 /nfs/dbraw/zinc/19/60/47/450196047.db2.gz VUDGNVUHOOVIMU-HNNXBMFYSA-N -1 1 338.327 1.556 20 5 EDBDMM CC(C)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccnn1C ZINC000616026602 450303498 /nfs/dbraw/zinc/30/34/98/450303498.db2.gz JHARIYOABWSTGU-GFCCVEGCSA-N -1 1 333.348 1.599 20 5 EDBDMM Cc1nn(Cc2c(F)cccc2[N+](=O)[O-])c(=O)c(-c2nn[n-]n2)c1C ZINC000737523696 579105562 /nfs/dbraw/zinc/10/55/62/579105562.db2.gz RLXRUHQBRGIEDI-UHFFFAOYSA-N -1 1 345.294 1.136 20 5 EDBDMM O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000751275551 579799951 /nfs/dbraw/zinc/79/99/51/579799951.db2.gz ALNFHAXGSQVFFS-UHFFFAOYSA-N -1 1 340.273 1.404 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2c(C)cccc2C)c([N+](=O)[O-])n1 ZINC000754808317 579912976 /nfs/dbraw/zinc/91/29/76/579912976.db2.gz GCFPGJTWFLPVKC-UHFFFAOYSA-N -1 1 338.389 1.907 20 5 EDBDMM O=C(OCc1nnnn1-c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769048906 580226484 /nfs/dbraw/zinc/22/64/84/580226484.db2.gz SZNBTDSUGPETIH-UHFFFAOYSA-N -1 1 341.283 1.633 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563123 580420870 /nfs/dbraw/zinc/42/08/70/580420870.db2.gz GWTPFOUJQYELKD-RYBZSIHZSA-N -1 1 346.372 1.438 20 5 EDBDMM CC(=O)c1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1c[n-]nc1C ZINC000758404917 593403250 /nfs/dbraw/zinc/40/32/50/593403250.db2.gz NNAUYPCKBVZWBH-UHFFFAOYSA-N -1 1 325.302 1.597 20 5 EDBDMM CC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815047129 593611812 /nfs/dbraw/zinc/61/18/12/593611812.db2.gz BLLAXNIUZOEVLR-LURJTMIESA-N -1 1 326.733 1.437 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCc1cn[nH]c1 ZINC000820711868 593868379 /nfs/dbraw/zinc/86/83/79/593868379.db2.gz PZYNULIGYUMXGY-UHFFFAOYSA-N -1 1 330.753 1.492 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N(C)CC(C)(C)CNC(=O)[O-])c1[N+](=O)[O-] ZINC000824453458 594015699 /nfs/dbraw/zinc/01/56/99/594015699.db2.gz LIFODFFOJCOIGH-UHFFFAOYSA-N -1 1 341.368 1.807 20 5 EDBDMM CCC1(CO)CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825176021 594142005 /nfs/dbraw/zinc/14/20/05/594142005.db2.gz CIYMBIBGXRWXJO-UHFFFAOYSA-N -1 1 333.352 1.159 20 5 EDBDMM CCC1(CO)CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825176021 594142006 /nfs/dbraw/zinc/14/20/06/594142006.db2.gz CIYMBIBGXRWXJO-UHFFFAOYSA-N -1 1 333.352 1.159 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823621025 594222125 /nfs/dbraw/zinc/22/21/25/594222125.db2.gz VSBLODSBVORMLY-BMIGLBTASA-N -1 1 345.363 1.301 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000823621025 594222126 /nfs/dbraw/zinc/22/21/26/594222126.db2.gz VSBLODSBVORMLY-BMIGLBTASA-N -1 1 345.363 1.301 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2c(c1)COC2 ZINC000823625593 594222593 /nfs/dbraw/zinc/22/25/93/594222593.db2.gz YVGGLZVADISBRG-UHFFFAOYSA-N -1 1 339.315 1.812 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc2c(c1)COC2 ZINC000823625593 594222594 /nfs/dbraw/zinc/22/25/94/594222594.db2.gz YVGGLZVADISBRG-UHFFFAOYSA-N -1 1 339.315 1.812 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000828020813 594323623 /nfs/dbraw/zinc/32/36/23/594323623.db2.gz XEOMONQFYLAHQK-WBMJQRKESA-N -1 1 347.327 1.023 20 5 EDBDMM CN(C[C@@H]1CCCN(C(=O)c2cc(O)cc([N+](=O)[O-])c2)C1)C(=O)[O-] ZINC000828181400 594360215 /nfs/dbraw/zinc/36/02/15/594360215.db2.gz SXGYVIRAYULXIZ-JTQLQIEISA-N -1 1 337.332 1.762 20 5 EDBDMM COc1cc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)ccn1 ZINC000826179247 594364578 /nfs/dbraw/zinc/36/45/78/594364578.db2.gz GNWZEPWVVXNOJY-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM COc1cc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)ccn1 ZINC000826179247 594364581 /nfs/dbraw/zinc/36/45/81/594364581.db2.gz GNWZEPWVVXNOJY-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1OCc1ccnc(-c2nnn[n-]2)c1 ZINC000826212050 594380867 /nfs/dbraw/zinc/38/08/67/594380867.db2.gz FBUJVYBOWNTMKE-UHFFFAOYSA-N -1 1 328.288 1.758 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1OCc1ccnc(-c2nn[n-]n2)c1 ZINC000826212050 594380870 /nfs/dbraw/zinc/38/08/70/594380870.db2.gz FBUJVYBOWNTMKE-UHFFFAOYSA-N -1 1 328.288 1.758 20 5 EDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)c1ccco1 ZINC000826437799 594476708 /nfs/dbraw/zinc/47/67/08/594476708.db2.gz BNCXJMYHGQNGEU-UHFFFAOYSA-N -1 1 343.303 1.210 20 5 EDBDMM O=C(NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)c1ccco1 ZINC000826437799 594476710 /nfs/dbraw/zinc/47/67/10/594476710.db2.gz BNCXJMYHGQNGEU-UHFFFAOYSA-N -1 1 343.303 1.210 20 5 EDBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)cn1 ZINC000832559492 594759304 /nfs/dbraw/zinc/75/93/04/594759304.db2.gz FYINRYASENVKEM-QMMMGPOBSA-N -1 1 330.391 1.912 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CO)CCF ZINC000846013632 595122371 /nfs/dbraw/zinc/12/23/71/595122371.db2.gz MDSFDPYYSOJECG-MRVPVSSYSA-N -1 1 326.733 1.247 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1COC2(CCC2)C1 ZINC000849449274 595531528 /nfs/dbraw/zinc/53/15/28/595531528.db2.gz BBSVHZSZPOIKDP-SECBINFHSA-N -1 1 330.337 1.724 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000872558465 596964139 /nfs/dbraw/zinc/96/41/39/596964139.db2.gz NAJKGZPRACKJAG-JFGNBEQYSA-N -1 1 344.364 1.970 20 5 EDBDMM O=C(N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000412381425 304004035 /nfs/dbraw/zinc/00/40/35/304004035.db2.gz UCKHRUVQPSBLGR-RISCZKNCSA-N -1 1 344.327 1.741 20 5 EDBDMM Cn1nccc1[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000412394650 304005216 /nfs/dbraw/zinc/00/52/16/304005216.db2.gz QZALOODEVXFJMR-NOZJJQNGSA-N -1 1 347.331 1.079 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2nccs2)CC1 ZINC000010270381 211159023 /nfs/dbraw/zinc/15/90/23/211159023.db2.gz UJSCRFQUFQFDEZ-UHFFFAOYSA-N -1 1 335.345 1.114 20 5 EDBDMM COc1ccc(NC(=O)[C@@H](C)N(C)CCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000262684737 139296192 /nfs/dbraw/zinc/29/61/92/139296192.db2.gz XKFLXXXTKLMPFD-SECBINFHSA-N -1 1 325.321 1.337 20 5 EDBDMM O=C([O-])[C@@H](CC(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000263011078 139317572 /nfs/dbraw/zinc/31/75/72/139317572.db2.gz NBCLFKXPWSUKOW-MRVPVSSYSA-N -1 1 328.231 1.309 20 5 EDBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263218467 139328992 /nfs/dbraw/zinc/32/89/92/139328992.db2.gz ONXIUWKTABQQAI-BDAKNGLRSA-N -1 1 332.316 1.796 20 5 EDBDMM CC[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C[C@@H](C)O ZINC000119079357 221239001 /nfs/dbraw/zinc/23/90/01/221239001.db2.gz HTQVNNIQEOWGRH-YPMHNXCESA-N -1 1 337.376 1.218 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000346576966 143218153 /nfs/dbraw/zinc/21/81/53/143218153.db2.gz KRIOLUDFJQSSSB-VHSXEESVSA-N -1 1 332.382 1.047 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000346576960 143218244 /nfs/dbraw/zinc/21/82/44/143218244.db2.gz KRIOLUDFJQSSSB-NXEZZACHSA-N -1 1 332.382 1.047 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)no2)[n-]1 ZINC000347500629 143329280 /nfs/dbraw/zinc/32/92/80/143329280.db2.gz JTGYTGGBGOZXMM-UHFFFAOYSA-N -1 1 334.313 1.947 20 5 EDBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000358092797 151267328 /nfs/dbraw/zinc/26/73/28/151267328.db2.gz WASVIZROAKBVRS-LBPRGKRZSA-N -1 1 344.327 1.384 20 5 EDBDMM Cc1nc2sccn2c1CN(C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000359195145 151628631 /nfs/dbraw/zinc/62/86/31/151628631.db2.gz XWCWUSBNNKAVBT-UHFFFAOYSA-N -1 1 347.356 1.985 20 5 EDBDMM O=C(NCc1nccc(C(F)F)n1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000360705586 152161874 /nfs/dbraw/zinc/16/18/74/152161874.db2.gz QQNYKFGMNBOZAY-UHFFFAOYSA-N -1 1 325.231 1.353 20 5 EDBDMM O=C(NCc1cccc(-n2cncn2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365672339 153586735 /nfs/dbraw/zinc/58/67/35/153586735.db2.gz USTJKGRMWFEYDT-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)s1 ZINC000367422792 154114827 /nfs/dbraw/zinc/11/48/27/154114827.db2.gz NHKBDIRNFLMSPP-JOYOIKCWSA-N -1 1 348.402 1.273 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000123336248 222259797 /nfs/dbraw/zinc/25/97/97/222259797.db2.gz AROOFMLVXWIXAW-DTWKUNHWSA-N -1 1 335.238 1.223 20 5 EDBDMM C[C@@H](O)C[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123633032 222308522 /nfs/dbraw/zinc/30/85/22/222308522.db2.gz FZWUXVNVYLRJBH-ZCFIWIBFSA-N -1 1 339.167 1.016 20 5 EDBDMM CC(C)C(=O)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274888244 268230243 /nfs/dbraw/zinc/23/02/43/268230243.db2.gz LCKWPACWSAMFNY-UHFFFAOYSA-N -1 1 336.348 1.072 20 5 EDBDMM NC(=O)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CCCCC1 ZINC000274979265 268255544 /nfs/dbraw/zinc/25/55/44/268255544.db2.gz XNFDTRQLVSRWAH-LLVKDONJSA-N -1 1 336.348 1.250 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1CC(C)(C)O ZINC000275653369 273116317 /nfs/dbraw/zinc/11/63/17/273116317.db2.gz QICZIIUUWBAZOI-LLVKDONJSA-N -1 1 337.376 1.218 20 5 EDBDMM O=c1nc([C@H]2CCCCN2C[C@H](O)c2cccc([N+](=O)[O-])c2)[nH][n-]1 ZINC000295304898 303202536 /nfs/dbraw/zinc/20/25/36/303202536.db2.gz MQPVUZCLEGQDRK-OLZOCXBDSA-N -1 1 333.348 1.267 20 5 EDBDMM CO[C@@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Cc1ccccc1 ZINC000295889956 303280378 /nfs/dbraw/zinc/28/03/78/303280378.db2.gz YPFIPXIJGASILG-CYBMUJFWSA-N -1 1 331.328 1.683 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2F)c([N+](=O)[O-])n1 ZINC000435800405 305147466 /nfs/dbraw/zinc/14/74/66/305147466.db2.gz PSOOFIVLNHMGDQ-UHFFFAOYSA-N -1 1 328.325 1.429 20 5 EDBDMM CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000451748908 305366745 /nfs/dbraw/zinc/36/67/45/305366745.db2.gz OKFMBVSSEWZXOS-MNOVXSKESA-N -1 1 330.410 1.916 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000514929249 305709902 /nfs/dbraw/zinc/70/99/02/305709902.db2.gz BTEBXPSKZUDGLO-SNVBAGLBSA-N -1 1 343.430 1.801 20 5 EDBDMM CC(C)NC(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000029964340 441480967 /nfs/dbraw/zinc/48/09/67/441480967.db2.gz KTOMGQWGFVNOGG-UHFFFAOYSA-N -1 1 335.769 1.051 20 5 EDBDMM C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000120763976 442128412 /nfs/dbraw/zinc/12/84/12/442128412.db2.gz YWNUDCLHLYDUGH-RKDXNWHRSA-N -1 1 336.797 1.934 20 5 EDBDMM CC1(C)[C@H](O)C[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000188124892 442714203 /nfs/dbraw/zinc/71/42/03/442714203.db2.gz UARRFEBPERDNIQ-NXEZZACHSA-N -1 1 334.781 1.686 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1CCO ZINC000188918508 442842192 /nfs/dbraw/zinc/84/21/92/442842192.db2.gz VGJILADZGURWCQ-MWLCHTKSSA-N -1 1 332.353 1.563 20 5 EDBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](CC)C(=O)OCC ZINC000276782474 443825294 /nfs/dbraw/zinc/82/52/94/443825294.db2.gz IOISLAXJWOLVHN-LLVKDONJSA-N -1 1 339.348 1.889 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000533178307 320685143 /nfs/dbraw/zinc/68/51/43/320685143.db2.gz DRDFIWJLTCYLNN-PWSUYJOCSA-N -1 1 349.368 1.833 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000285523075 444015792 /nfs/dbraw/zinc/01/57/92/444015792.db2.gz ZHYNCERFVAXOET-ZCFIWIBFSA-N -1 1 329.313 1.200 20 5 EDBDMM C[C@H](CCCO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000295354567 444180094 /nfs/dbraw/zinc/18/00/94/444180094.db2.gz RMDMYLVRFCPUIB-SECBINFHSA-N -1 1 336.797 1.935 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000343906732 444660096 /nfs/dbraw/zinc/66/00/96/444660096.db2.gz LUSPLSSGNKXVAH-GHMZBOCLSA-N -1 1 346.409 1.295 20 5 EDBDMM CC(C)(CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000336862493 444808833 /nfs/dbraw/zinc/80/88/33/444808833.db2.gz FDAMVUCTELKMSZ-UHFFFAOYSA-N -1 1 334.325 1.513 20 5 EDBDMM C[C@@H]1CCCN(c2ccc(C(=O)Nc3nnn[n-]3)cc2[N+](=O)[O-])C1 ZINC000342857233 444897161 /nfs/dbraw/zinc/89/71/61/444897161.db2.gz KPDXNZAZGLTWSD-SECBINFHSA-N -1 1 331.336 1.597 20 5 EDBDMM C[C@@H]1CCCN(c2ccc(C(=O)Nc3nn[n-]n3)cc2[N+](=O)[O-])C1 ZINC000342857233 444897163 /nfs/dbraw/zinc/89/71/63/444897163.db2.gz KPDXNZAZGLTWSD-SECBINFHSA-N -1 1 331.336 1.597 20 5 EDBDMM CCO[C@H](CC[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)C ZINC000339042274 445004017 /nfs/dbraw/zinc/00/40/17/445004017.db2.gz SFNSYFMONNQPOM-LLVKDONJSA-N -1 1 348.425 1.541 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2COc3ccccc32)c([N+](=O)[O-])n1 ZINC000339049157 445009279 /nfs/dbraw/zinc/00/92/79/445009279.db2.gz UQKNATQQZDZBRY-JTQLQIEISA-N -1 1 338.345 1.223 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2CCSCC2)c([N+](=O)[O-])n1 ZINC000339049632 445009294 /nfs/dbraw/zinc/00/92/94/445009294.db2.gz TZHNGGOUPICETL-UHFFFAOYSA-N -1 1 334.423 1.233 20 5 EDBDMM CC(C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000359787458 445428837 /nfs/dbraw/zinc/42/88/37/445428837.db2.gz LYIDGXABNYNHKA-UHFFFAOYSA-N -1 1 345.363 1.373 20 5 EDBDMM CC(C)N(CCc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1)S(C)(=O)=O ZINC000356131945 445638627 /nfs/dbraw/zinc/63/86/27/445638627.db2.gz UUYRFIBPQVMTFA-UHFFFAOYSA-N -1 1 343.365 1.185 20 5 EDBDMM O=C(N[C@@H]1CCN(c2cccnc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000365205764 446078087 /nfs/dbraw/zinc/07/80/87/446078087.db2.gz DGTLHMDZGKQTDX-SNVBAGLBSA-N -1 1 329.316 1.099 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@]2(CCCOC2)O1 ZINC000366468355 446226808 /nfs/dbraw/zinc/22/68/08/446226808.db2.gz SHFSHWBAGUJHFY-MEBBXXQBSA-N -1 1 337.332 1.106 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCOC[C@H]1c1ccccc1 ZINC000365633442 446281850 /nfs/dbraw/zinc/28/18/50/446281850.db2.gz DEGAYIAIALFCBJ-AWEZNQCLSA-N -1 1 329.312 1.909 20 5 EDBDMM Cn1nccc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000375008321 446509070 /nfs/dbraw/zinc/50/90/70/446509070.db2.gz MDHAACWBWPEANK-SNVBAGLBSA-N -1 1 331.332 1.449 20 5 EDBDMM CCC1(CC)[C@H](OC)C[C@@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531684878 448128913 /nfs/dbraw/zinc/12/89/13/448128913.db2.gz CAPFHALJSOLNBQ-NWDGAFQWSA-N -1 1 343.405 1.862 20 5 EDBDMM O=C([O-])C[C@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000532711557 448301438 /nfs/dbraw/zinc/30/14/38/448301438.db2.gz GOIYRQRVNGWOBR-DOMZBBRYSA-N -1 1 347.371 1.887 20 5 EDBDMM COC(=O)[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000592076355 448662231 /nfs/dbraw/zinc/66/22/31/448662231.db2.gz YVHRYAQBXBEUDH-VIFPVBQESA-N -1 1 345.377 1.246 20 5 EDBDMM NC(=O)c1ccnc([N-]c2cnn(C[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000589561281 449033450 /nfs/dbraw/zinc/03/34/50/449033450.db2.gz KQTGXWKGRZCPCK-JTQLQIEISA-N -1 1 332.320 1.208 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)s1 ZINC000593576426 449083504 /nfs/dbraw/zinc/08/35/04/449083504.db2.gz QLHVGCYAVIALCW-ZCFIWIBFSA-N -1 1 329.363 1.189 20 5 EDBDMM CC(C)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000590356319 449137300 /nfs/dbraw/zinc/13/73/00/449137300.db2.gz DSXPNKZXYLQUGI-IUCAKERBSA-N -1 1 337.254 1.373 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000611083604 449161424 /nfs/dbraw/zinc/16/14/24/449161424.db2.gz MNRWWYFWGSLQIN-WCQGTBRESA-N -1 1 339.373 1.226 20 5 EDBDMM C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600703314 449503407 /nfs/dbraw/zinc/50/34/07/449503407.db2.gz QGVPTTXATRPNTD-IJLUTSLNSA-N -1 1 335.360 1.964 20 5 EDBDMM Cc1c(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000600869182 449577487 /nfs/dbraw/zinc/57/74/87/449577487.db2.gz LFIIUFFZVZMKNY-LLVKDONJSA-N -1 1 335.360 1.524 20 5 EDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C)CO1 ZINC000594816421 449724783 /nfs/dbraw/zinc/72/47/83/449724783.db2.gz HUFVRNGBKFLDQV-NXEZZACHSA-N -1 1 349.434 1.044 20 5 EDBDMM C[C@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000594816422 449724901 /nfs/dbraw/zinc/72/49/01/449724901.db2.gz HUFVRNGBKFLDQV-UWVGGRQHSA-N -1 1 349.434 1.044 20 5 EDBDMM CC[N@H+]1CCC[C@@H](NS(=O)(=O)c2cc(C)sc2[N+](=O)[O-])C1 ZINC000601314101 449823715 /nfs/dbraw/zinc/82/37/15/449823715.db2.gz YRZKOTBXRMOJDE-SNVBAGLBSA-N -1 1 333.435 1.727 20 5 EDBDMM CC1(C(=O)C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCCC1 ZINC000599472791 450002343 /nfs/dbraw/zinc/00/23/43/450002343.db2.gz QLJPJADFNPEZNW-UHFFFAOYSA-N -1 1 327.362 1.418 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2(O)CCC(C)CC2)c([N+](=O)[O-])n1 ZINC000595412254 450124822 /nfs/dbraw/zinc/12/48/22/450124822.db2.gz XAHNYGHACSVPAC-UHFFFAOYSA-N -1 1 346.409 1.031 20 5 EDBDMM CC(C)[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccnn1C ZINC000616021857 450300930 /nfs/dbraw/zinc/30/09/30/450300930.db2.gz YUFHPRDKNCITBA-NSHDSACASA-N -1 1 333.348 1.599 20 5 EDBDMM CC(C)C[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158417459 528344804 /nfs/dbraw/zinc/34/48/04/528344804.db2.gz SLBLEWIUGZIQOG-JTQLQIEISA-N -1 1 336.797 1.934 20 5 EDBDMM CCc1[nH]nc(C(=O)N2C[C@H](C)N(C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000739540301 579216600 /nfs/dbraw/zinc/21/66/00/579216600.db2.gz RQAJAEZZPMGCBE-YUMQZZPRSA-N -1 1 325.325 1.093 20 5 EDBDMM COC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOCC1 ZINC000746700704 579607144 /nfs/dbraw/zinc/60/71/44/579607144.db2.gz VOJYSFCLDXZQAC-UHFFFAOYSA-N -1 1 348.352 1.208 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2[C@H](C)CCC[C@H]2C)c([N+](=O)[O-])n1 ZINC000754804565 579912868 /nfs/dbraw/zinc/91/28/68/579912868.db2.gz HBSBBHCWHFWXNE-NXEZZACHSA-N -1 1 330.410 1.914 20 5 EDBDMM O=C([O-])c1ccc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)o1 ZINC000776580263 580422006 /nfs/dbraw/zinc/42/20/06/580422006.db2.gz UZYCTEMDVFIHPE-UHFFFAOYSA-N -1 1 332.315 1.426 20 5 EDBDMM O=C([O-])c1csc(CNS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000776639753 580425083 /nfs/dbraw/zinc/42/50/83/580425083.db2.gz DDVVHUZNIDLZBM-UHFFFAOYSA-N -1 1 349.371 1.290 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H]1COC[C@H]1C1CC1 ZINC000908415554 592487287 /nfs/dbraw/zinc/48/72/87/592487287.db2.gz SAGBQPPZEHEBHZ-GXSJLCMTSA-N -1 1 346.792 1.952 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CC[C@@H](C3CC3)O2)s1 ZINC000907470117 592651724 /nfs/dbraw/zinc/65/17/24/592651724.db2.gz QRVFZNVKXZIVMH-ZJUUUORDSA-N -1 1 332.403 1.892 20 5 EDBDMM CC(C)N(CCC(=O)[O-])CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000736465801 593010546 /nfs/dbraw/zinc/01/05/46/593010546.db2.gz JNMSSUWNSNSNQQ-UHFFFAOYSA-N -1 1 335.360 1.669 20 5 EDBDMM O=C([N-]C[C@H]1CCCN(Cn2nccc2[N+](=O)[O-])C1)C(F)(F)F ZINC000811784625 593481705 /nfs/dbraw/zinc/48/17/05/593481705.db2.gz DJYPFPGVOWHJNV-SECBINFHSA-N -1 1 335.286 1.139 20 5 EDBDMM CC(=O)Nc1ccc(Oc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000819817352 593770954 /nfs/dbraw/zinc/77/09/54/593770954.db2.gz BNAZWIZDXQEPCA-UHFFFAOYSA-N -1 1 341.287 1.921 20 5 EDBDMM CC(=O)Nc1ccc(Oc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000819817352 593770955 /nfs/dbraw/zinc/77/09/55/593770955.db2.gz BNAZWIZDXQEPCA-UHFFFAOYSA-N -1 1 341.287 1.921 20 5 EDBDMM C[C@@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000820281245 593805769 /nfs/dbraw/zinc/80/57/69/593805769.db2.gz UKVMEMPNJQFPHA-SECBINFHSA-N -1 1 349.351 1.371 20 5 EDBDMM C[C@@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])CC1(C)OCCO1 ZINC000820281245 593805770 /nfs/dbraw/zinc/80/57/70/593805770.db2.gz UKVMEMPNJQFPHA-SECBINFHSA-N -1 1 349.351 1.371 20 5 EDBDMM C[C@@H](CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1nccs1 ZINC000824412819 594006013 /nfs/dbraw/zinc/00/60/13/594006013.db2.gz GJWSJZQODGBYBY-QMMMGPOBSA-N -1 1 346.376 1.866 20 5 EDBDMM C[C@@H](CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1nccs1 ZINC000824412819 594006017 /nfs/dbraw/zinc/00/60/17/594006017.db2.gz GJWSJZQODGBYBY-QMMMGPOBSA-N -1 1 346.376 1.866 20 5 EDBDMM Cn1cc([C@@H]2CCCN2c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000822674305 594083673 /nfs/dbraw/zinc/08/36/73/594083673.db2.gz QCFFQGPUHUQSII-NSHDSACASA-N -1 1 341.335 1.245 20 5 EDBDMM Cn1cc([C@@H]2CCCN2c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000822674305 594083675 /nfs/dbraw/zinc/08/36/75/594083675.db2.gz QCFFQGPUHUQSII-NSHDSACASA-N -1 1 341.335 1.245 20 5 EDBDMM Nc1ccc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000822907503 594120264 /nfs/dbraw/zinc/12/02/64/594120264.db2.gz PQNLBAVYKOJWDC-UHFFFAOYSA-N -1 1 341.287 1.109 20 5 EDBDMM Nc1ccc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000822907503 594120265 /nfs/dbraw/zinc/12/02/65/594120265.db2.gz PQNLBAVYKOJWDC-UHFFFAOYSA-N -1 1 341.287 1.109 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1Cc2ccccc2O1 ZINC000823624897 594222654 /nfs/dbraw/zinc/22/26/54/594222654.db2.gz JURAMFVGKPUTLV-JTQLQIEISA-N -1 1 339.315 1.586 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1Cc2ccccc2O1 ZINC000823624897 594222655 /nfs/dbraw/zinc/22/26/55/594222655.db2.gz JURAMFVGKPUTLV-JTQLQIEISA-N -1 1 339.315 1.586 20 5 EDBDMM O=[N+]([O-])c1cc(NCc2nncn2C2CC2)ccc1-c1nn[n-]n1 ZINC000823634467 594223412 /nfs/dbraw/zinc/22/34/12/594223412.db2.gz GMDGLVOLENQYNS-UHFFFAOYSA-N -1 1 327.308 1.313 20 5 EDBDMM COc1ccc(CNc2ccc(-c3nnn[n-]3)nn2)cc1[N+](=O)[O-] ZINC000826203879 594377112 /nfs/dbraw/zinc/37/71/12/594377112.db2.gz KAYIFJASOUXHLY-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1ccc(CNc2ccc(-c3nn[n-]n3)nn2)cc1[N+](=O)[O-] ZINC000826203879 594377115 /nfs/dbraw/zinc/37/71/15/594377115.db2.gz KAYIFJASOUXHLY-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cn1 ZINC000826203702 594377194 /nfs/dbraw/zinc/37/71/94/594377194.db2.gz CBIUCFWLUCSXJE-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM COc1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cn1 ZINC000826203702 594377196 /nfs/dbraw/zinc/37/71/96/594377196.db2.gz CBIUCFWLUCSXJE-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM C[C@@H]1CN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000828433369 594419086 /nfs/dbraw/zinc/41/90/86/594419086.db2.gz UCUPCRIKMNBFPM-ZWNOBZJWSA-N -1 1 333.344 1.136 20 5 EDBDMM Cn1cc(-c2nnn[n-]2)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000826357905 594442293 /nfs/dbraw/zinc/44/22/93/594442293.db2.gz WBJZEJQRGVCGJC-UHFFFAOYSA-N -1 1 348.710 1.414 20 5 EDBDMM Cn1cc(-c2nn[n-]n2)c(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1 ZINC000826357905 594442295 /nfs/dbraw/zinc/44/22/95/594442295.db2.gz WBJZEJQRGVCGJC-UHFFFAOYSA-N -1 1 348.710 1.414 20 5 EDBDMM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nnn[n-]3)nn2)cc1 ZINC000826497960 594502541 /nfs/dbraw/zinc/50/25/41/594502541.db2.gz APURSAJWBRUZEA-UHFFFAOYSA-N -1 1 340.347 2.000 20 5 EDBDMM O=[N+]([O-])c1ccc(CCCCNc2ccc(-c3nn[n-]n3)nn2)cc1 ZINC000826497960 594502543 /nfs/dbraw/zinc/50/25/43/594502543.db2.gz APURSAJWBRUZEA-UHFFFAOYSA-N -1 1 340.347 2.000 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(F)c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1F ZINC000832125613 594728368 /nfs/dbraw/zinc/72/83/68/594728368.db2.gz FBNZASBTGYAGIH-ZETCQYMHSA-N -1 1 340.290 1.570 20 5 EDBDMM Cc1ccc(O[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)nc1 ZINC000858078973 595695337 /nfs/dbraw/zinc/69/53/37/595695337.db2.gz WPFBXVXWXXOQHX-LBPRGKRZSA-N -1 1 344.327 1.692 20 5 EDBDMM O=C(Cc1ccccc1[N+](=O)[O-])N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000918758033 697206577 /nfs/dbraw/zinc/20/65/77/697206577.db2.gz VBKYAZVIMFAQNZ-HNNXBMFYSA-N -1 1 338.327 1.556 20 5 EDBDMM C[C@H]1COC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000921498252 700158945 /nfs/dbraw/zinc/15/89/45/700158945.db2.gz CBIMLCIFLOUPCF-RCOVLWMOSA-N -1 1 338.744 1.701 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000921611813 703645036 /nfs/dbraw/zinc/64/50/36/703645036.db2.gz KPLOMHJOKSWSSY-AXFHLTTASA-N -1 1 342.348 1.603 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])n1 ZINC000331793411 141081790 /nfs/dbraw/zinc/08/17/90/141081790.db2.gz QGLHTYCBNZGJJT-GXFFZTMASA-N -1 1 346.409 1.293 20 5 EDBDMM CNS(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)ccc1C ZINC000340444964 142394015 /nfs/dbraw/zinc/39/40/15/142394015.db2.gz SFDKBJXMJWEKHH-UHFFFAOYSA-N -1 1 338.345 1.392 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000345558016 143105457 /nfs/dbraw/zinc/10/54/57/143105457.db2.gz YNCZQJJBKPITLU-UHFFFAOYSA-N -1 1 336.739 1.961 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000352713137 149125840 /nfs/dbraw/zinc/12/58/40/149125840.db2.gz NCGDTVYDWUTGIQ-MRVPVSSYSA-N -1 1 326.334 1.634 20 5 EDBDMM Cc1nc([C@](C)(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)no1 ZINC000353351814 149376702 /nfs/dbraw/zinc/37/67/02/149376702.db2.gz OHWZILDETZRBJK-CQSZACIVSA-N -1 1 333.304 1.442 20 5 EDBDMM Cc1c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cccc1N1C(=O)CNC1=O ZINC000358135542 151283856 /nfs/dbraw/zinc/28/38/56/151283856.db2.gz KKVQACZOGPAENM-UHFFFAOYSA-N -1 1 343.299 1.540 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@@H]1C ZINC000275009763 268262897 /nfs/dbraw/zinc/26/28/97/268262897.db2.gz WWBPDCNVPVSJSG-VHSXEESVSA-N -1 1 336.348 1.215 20 5 EDBDMM O=C([O-])c1c(NS(=O)(=O)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000275013977 268264613 /nfs/dbraw/zinc/26/46/13/268264613.db2.gz NSOOGRDZQJCOHC-MRVPVSSYSA-N -1 1 330.318 1.214 20 5 EDBDMM C[C@H]1CN(CCCNC(=O)c2cccc([O-])c2[N+](=O)[O-])C[C@H](C)O1 ZINC000280680460 273384932 /nfs/dbraw/zinc/38/49/32/273384932.db2.gz CJZHKPGZABJBFT-RYUDHWBXSA-N -1 1 337.376 1.530 20 5 EDBDMM O=C([N-]CC1CCN(c2ncccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000281977520 273563194 /nfs/dbraw/zinc/56/31/94/273563194.db2.gz UTALJMROHAHZDL-UHFFFAOYSA-N -1 1 332.282 1.885 20 5 EDBDMM O=C(N[C@H]1CCCN(CC(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293665934 303000744 /nfs/dbraw/zinc/00/07/44/303000744.db2.gz OIRQZVLTVDHWHP-VIFPVBQESA-N -1 1 348.281 1.452 20 5 EDBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](C(F)(F)F)O1 ZINC000293665678 303000777 /nfs/dbraw/zinc/00/07/77/303000777.db2.gz IATXNHZBQJGPDJ-SECBINFHSA-N -1 1 349.265 1.877 20 5 EDBDMM Cc1cc(OCC(=O)NC2(c3nn[n-]n3)CCCC2)ccc1[N+](=O)[O-] ZINC000435705153 305146005 /nfs/dbraw/zinc/14/60/05/305146005.db2.gz HNTNWUHOBZQBIZ-UHFFFAOYSA-N -1 1 346.347 1.381 20 5 EDBDMM CC(C)CN(Cc1cnn(C)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000457339959 305486364 /nfs/dbraw/zinc/48/63/64/305486364.db2.gz GZRSQMIQHXQTKI-UHFFFAOYSA-N -1 1 333.348 1.727 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000064245065 441367024 /nfs/dbraw/zinc/36/70/24/441367024.db2.gz VJYJNFKETGFXFJ-UHFFFAOYSA-N -1 1 348.402 1.811 20 5 EDBDMM CC(C)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCOCC1 ZINC000064242693 441367309 /nfs/dbraw/zinc/36/73/09/441367309.db2.gz ZYKXFGMJZCEIQR-UHFFFAOYSA-N -1 1 349.434 1.045 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nnc3ccccn32)s1 ZINC000088767707 441519484 /nfs/dbraw/zinc/51/94/84/441519484.db2.gz JOLHQUDDXDNDJD-UHFFFAOYSA-N -1 1 339.358 1.178 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000066327612 441520611 /nfs/dbraw/zinc/52/06/11/441520611.db2.gz XQORZTXPONAQND-UHFFFAOYSA-N -1 1 334.375 1.420 20 5 EDBDMM O=C(NCCCCNc1ccccn1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000109628116 441502810 /nfs/dbraw/zinc/50/28/10/441502810.db2.gz OZWQNILBEHYULC-UHFFFAOYSA-N -1 1 331.332 1.713 20 5 EDBDMM CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1=O ZINC000114743268 441681672 /nfs/dbraw/zinc/68/16/72/441681672.db2.gz QMAGGOYJGDWTQN-JTQLQIEISA-N -1 1 345.352 1.022 20 5 EDBDMM COc1cc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)ccc1[N+](=O)[O-] ZINC000151419281 442059091 /nfs/dbraw/zinc/05/90/91/442059091.db2.gz XHTXVRGDEFENJJ-UHFFFAOYSA-N -1 1 326.334 1.744 20 5 EDBDMM CC(C)CN1CCO[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2[O-])C1 ZINC000178450027 442434714 /nfs/dbraw/zinc/43/47/14/442434714.db2.gz WHFAXCQXVQGQQQ-LBPRGKRZSA-N -1 1 337.376 1.387 20 5 EDBDMM COc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000192952679 442701197 /nfs/dbraw/zinc/70/11/97/442701197.db2.gz SZESYAWUNCPLTK-UHFFFAOYSA-N -1 1 343.339 1.945 20 5 EDBDMM O=C(NCc1cnn(-c2ccccc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193380656 442737456 /nfs/dbraw/zinc/73/74/56/442737456.db2.gz SBCCFFQHSKUXMS-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM C[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000193702522 442769585 /nfs/dbraw/zinc/76/95/85/442769585.db2.gz AYLKNOHRHCUBIJ-MFKMUULPSA-N -1 1 331.332 1.615 20 5 EDBDMM CCc1nn(C)c(CC)c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193753364 442779596 /nfs/dbraw/zinc/77/95/96/442779596.db2.gz BNSWURTXSGYSTR-UHFFFAOYSA-N -1 1 333.348 1.484 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000269086453 443193284 /nfs/dbraw/zinc/19/32/84/443193284.db2.gz XTHWWRNCLJQQOU-CYBMUJFWSA-N -1 1 344.327 1.522 20 5 EDBDMM CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269746389 443421690 /nfs/dbraw/zinc/42/16/90/443421690.db2.gz GKEVVKOXVOEMNY-JTQLQIEISA-N -1 1 336.797 1.934 20 5 EDBDMM COCCOc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277991672 444078809 /nfs/dbraw/zinc/07/88/09/444078809.db2.gz WVMNLOJKTDUXTP-UHFFFAOYSA-N -1 1 347.327 1.651 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(O)CCCCCC1 ZINC000611022251 450410507 /nfs/dbraw/zinc/41/05/07/450410507.db2.gz APJLHCGBXSYJSX-UHFFFAOYSA-N -1 1 329.378 1.353 20 5 EDBDMM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000338095395 444515023 /nfs/dbraw/zinc/51/50/23/444515023.db2.gz UXSVBJDEYLTUKY-SNVBAGLBSA-N -1 1 336.348 1.072 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2(CC)CCOCC2)c([N+](=O)[O-])n1 ZINC000339043306 445005144 /nfs/dbraw/zinc/00/51/44/445005144.db2.gz XJVHDUUCTQCDIO-UHFFFAOYSA-N -1 1 346.409 1.296 20 5 EDBDMM C[C@H]1CN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CCN1CC(C)(C)O ZINC000330614771 445062551 /nfs/dbraw/zinc/06/25/51/445062551.db2.gz BLSQJZPUORHBGA-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM CN(C)C(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000343344170 445206287 /nfs/dbraw/zinc/20/62/87/445206287.db2.gz QJPNBNFKCJLQTQ-UHFFFAOYSA-N -1 1 332.316 1.642 20 5 EDBDMM NC(=O)c1ccn(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc2)n1 ZINC000343357596 445208878 /nfs/dbraw/zinc/20/88/78/445208878.db2.gz OLNDGUBQSKUMGN-UHFFFAOYSA-N -1 1 340.299 1.460 20 5 EDBDMM CO[C@@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000348536342 445318387 /nfs/dbraw/zinc/31/83/87/445318387.db2.gz BMPVDROJLIONGV-MWLCHTKSSA-N -1 1 347.331 1.329 20 5 EDBDMM Cc1nc([C@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)no1 ZINC000363100739 445677428 /nfs/dbraw/zinc/67/74/28/445677428.db2.gz NULMONMJTCRSGX-VIFPVBQESA-N -1 1 333.304 1.407 20 5 EDBDMM Cn1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1=O ZINC000353940371 445819148 /nfs/dbraw/zinc/81/91/48/445819148.db2.gz ILODXJRDNYDZLW-UHFFFAOYSA-N -1 1 343.748 1.748 20 5 EDBDMM Cc1nc(C)n(C[C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000373099318 446026458 /nfs/dbraw/zinc/02/64/58/446026458.db2.gz MOBIQQKHPSIUOV-LBPRGKRZSA-N -1 1 346.347 1.209 20 5 EDBDMM O=C(N[C@H]1C[C@@]12CCOc1ccccc12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373114561 446038841 /nfs/dbraw/zinc/03/88/41/446038841.db2.gz AZQBFNAMHIIMPL-WMLDXEAASA-N -1 1 341.323 1.918 20 5 EDBDMM O=C(NCCCN1CCCCCC1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000361862492 446015184 /nfs/dbraw/zinc/01/51/84/446015184.db2.gz NVGSEARONTWPAK-UHFFFAOYSA-N -1 1 336.348 1.218 20 5 EDBDMM O=C(NC[C@@H]1OCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365638477 446283625 /nfs/dbraw/zinc/28/36/25/446283625.db2.gz MGCVZNVHMGHNLB-AWEZNQCLSA-N -1 1 329.312 1.739 20 5 EDBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000431912273 446441691 /nfs/dbraw/zinc/44/16/91/446441691.db2.gz IFEDEQUOPRJEPO-UHFFFAOYSA-N -1 1 334.288 1.077 20 5 EDBDMM O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000375316183 446714818 /nfs/dbraw/zinc/71/48/18/446714818.db2.gz CETRVWLFLCGXRV-LBPRGKRZSA-N -1 1 342.311 1.231 20 5 EDBDMM Cc1ccc2nc(C[N-]S(=O)(=O)c3cccnc3[N+](=O)[O-])[nH]c2c1 ZINC000525819571 448032892 /nfs/dbraw/zinc/03/28/92/448032892.db2.gz AKYAZOYNOMIEIN-UHFFFAOYSA-N -1 1 347.356 1.653 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000532350125 448242067 /nfs/dbraw/zinc/24/20/67/448242067.db2.gz ASRCXTKXYKXJRO-QMMMGPOBSA-N -1 1 326.334 1.634 20 5 EDBDMM CC(C)[C@@H](O)C(C)(C)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533122799 448362797 /nfs/dbraw/zinc/36/27/97/448362797.db2.gz WDTYWNXPQQLTMB-LLVKDONJSA-N -1 1 331.394 1.311 20 5 EDBDMM C[C@@H]1CN(CCCNc2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@H](C)O1 ZINC000567981779 448792595 /nfs/dbraw/zinc/79/25/95/448792595.db2.gz YNJAKRYHPYLNIK-PHIMTYICSA-N -1 1 338.364 1.599 20 5 EDBDMM Cc1cc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc([N+](=O)[O-])c1 ZINC000600868606 449577540 /nfs/dbraw/zinc/57/75/40/449577540.db2.gz IGECTGYRVHAJRA-GFCCVEGCSA-N -1 1 335.360 1.524 20 5 EDBDMM C[C@@H](CN(C)C(=O)c1cc([N+](=O)[O-])ccc1N(C)C)c1nn[n-]n1 ZINC000183448349 533726473 /nfs/dbraw/zinc/72/64/73/533726473.db2.gz KVXWSCGIBOCPBX-VIFPVBQESA-N -1 1 333.352 1.050 20 5 EDBDMM O=C([O-])N1CCC[C@@H]1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000740517856 579355999 /nfs/dbraw/zinc/35/59/99/579355999.db2.gz AOJWDYYDZDFEMI-MRVPVSSYSA-N -1 1 347.324 1.155 20 5 EDBDMM O=C([O-])NC[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000740609846 579368067 /nfs/dbraw/zinc/36/80/67/579368067.db2.gz DBOOAPRVBZNKIS-LLVKDONJSA-N -1 1 333.304 1.247 20 5 EDBDMM Cc1occc1-c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n(CCO)n1 ZINC000727386516 578527885 /nfs/dbraw/zinc/52/78/85/578527885.db2.gz OIUSEFFCMOLXMO-UHFFFAOYSA-N -1 1 345.315 1.932 20 5 EDBDMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000734709383 578833140 /nfs/dbraw/zinc/83/31/40/578833140.db2.gz PPNUVFINMSRRDI-UHFFFAOYSA-N -1 1 338.345 1.362 20 5 EDBDMM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000738143405 579163792 /nfs/dbraw/zinc/16/37/92/579163792.db2.gz AUVDQOCJDWFXBZ-UHFFFAOYSA-N -1 1 329.251 1.561 20 5 EDBDMM O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000738143405 579163793 /nfs/dbraw/zinc/16/37/93/579163793.db2.gz AUVDQOCJDWFXBZ-UHFFFAOYSA-N -1 1 329.251 1.561 20 5 EDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765396221 580141052 /nfs/dbraw/zinc/14/10/52/580141052.db2.gz OBJUXCIGAUSDSV-QMMMGPOBSA-N -1 1 338.345 1.241 20 5 EDBDMM O=C(NC[C@@H](O)c1c(F)cccc1F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770518339 580263161 /nfs/dbraw/zinc/26/31/61/580263161.db2.gz QTLCMWLFPBMRHZ-LLVKDONJSA-N -1 1 339.254 1.437 20 5 EDBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1ccc2n[n-]c(=S)n2c1 ZINC000774463149 580362840 /nfs/dbraw/zinc/36/28/40/580362840.db2.gz SJXYGWLTOOXVAZ-UHFFFAOYSA-N -1 1 343.368 1.899 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)O ZINC000809819419 593361854 /nfs/dbraw/zinc/36/18/54/593361854.db2.gz TVCFFBZTLLXPDU-LURJTMIESA-N -1 1 340.760 1.825 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCOC2)c(Cl)cc1Cl ZINC000809828340 593362875 /nfs/dbraw/zinc/36/28/75/593362875.db2.gz KACIMUPFHOOEES-ZCFIWIBFSA-N -1 1 341.172 1.969 20 5 EDBDMM CC(C)COC1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000820102794 593791356 /nfs/dbraw/zinc/79/13/56/593791356.db2.gz KSYVRQNMOIBCST-UHFFFAOYSA-N -1 1 347.379 1.811 20 5 EDBDMM CC(C)COC1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000820102794 593791357 /nfs/dbraw/zinc/79/13/57/593791357.db2.gz KSYVRQNMOIBCST-UHFFFAOYSA-N -1 1 347.379 1.811 20 5 EDBDMM CN(CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000821602505 593877474 /nfs/dbraw/zinc/87/74/74/593877474.db2.gz GBMOEIJZPGEQPM-UHFFFAOYSA-N -1 1 340.347 1.718 20 5 EDBDMM CN(CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000821602505 593877477 /nfs/dbraw/zinc/87/74/77/593877477.db2.gz GBMOEIJZPGEQPM-UHFFFAOYSA-N -1 1 340.347 1.718 20 5 EDBDMM COC(=O)CCCCCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821660249 593901708 /nfs/dbraw/zinc/90/17/08/593901708.db2.gz KSPZAMUYMWTOER-UHFFFAOYSA-N -1 1 349.351 1.705 20 5 EDBDMM COC(=O)CCCCCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821660249 593901709 /nfs/dbraw/zinc/90/17/09/593901709.db2.gz KSPZAMUYMWTOER-UHFFFAOYSA-N -1 1 349.351 1.705 20 5 EDBDMM CCO[C@@H]1C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC000821358201 594026884 /nfs/dbraw/zinc/02/68/84/594026884.db2.gz IBKLGSWUZACHDK-WDEREUQCSA-N -1 1 345.363 1.930 20 5 EDBDMM CCO[C@@H]1C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC000821358201 594026885 /nfs/dbraw/zinc/02/68/85/594026885.db2.gz IBKLGSWUZACHDK-WDEREUQCSA-N -1 1 345.363 1.930 20 5 EDBDMM O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000823410251 594198865 /nfs/dbraw/zinc/19/88/65/594198865.db2.gz UFFNNXPMWDTURO-UHFFFAOYSA-N -1 1 340.299 1.569 20 5 EDBDMM O=C(OCCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000823410251 594198867 /nfs/dbraw/zinc/19/88/67/594198867.db2.gz UFFNNXPMWDTURO-UHFFFAOYSA-N -1 1 340.299 1.569 20 5 EDBDMM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823443391 594202910 /nfs/dbraw/zinc/20/29/10/594202910.db2.gz BGCWPZGJFBPJMQ-UHFFFAOYSA-N -1 1 330.235 1.528 20 5 EDBDMM O=C(Oc1cc(F)cc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)nc1 ZINC000823443391 594202911 /nfs/dbraw/zinc/20/29/11/594202911.db2.gz BGCWPZGJFBPJMQ-UHFFFAOYSA-N -1 1 330.235 1.528 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@H]1CCc2c1cccc2O ZINC000823620036 594221851 /nfs/dbraw/zinc/22/18/51/594221851.db2.gz HEAAEOHKSKJWLY-NSHDSACASA-N -1 1 339.315 1.975 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@H]1CCc2c1cccc2O ZINC000823620036 594221852 /nfs/dbraw/zinc/22/18/52/594221852.db2.gz HEAAEOHKSKJWLY-NSHDSACASA-N -1 1 339.315 1.975 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc2c1OCO2 ZINC000823624731 594222720 /nfs/dbraw/zinc/22/27/20/594222720.db2.gz HLYMWDQLVSLMIZ-UHFFFAOYSA-N -1 1 341.287 1.511 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc2c1OCO2 ZINC000823624731 594222721 /nfs/dbraw/zinc/22/27/21/594222721.db2.gz HLYMWDQLVSLMIZ-UHFFFAOYSA-N -1 1 341.287 1.511 20 5 EDBDMM CN1CCO[C@@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C[C@H]21 ZINC000830964088 594526418 /nfs/dbraw/zinc/52/64/18/594526418.db2.gz HKTLISHQSOKEMA-CHWSQXEVSA-N -1 1 341.751 1.466 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831148985 594569080 /nfs/dbraw/zinc/56/90/80/594569080.db2.gz GOHQETYRJAQSBM-UHFFFAOYSA-N -1 1 345.277 1.654 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832958580 594787362 /nfs/dbraw/zinc/78/73/62/594787362.db2.gz MDKVGUCUHHQURX-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H](O)C(C)C ZINC000841562159 594923444 /nfs/dbraw/zinc/92/34/44/594923444.db2.gz UKNZVOABLVROIR-ZWNOBZJWSA-N -1 1 334.369 1.808 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2C)cc1F ZINC000867191572 594993022 /nfs/dbraw/zinc/99/30/22/594993022.db2.gz PASNZFYRXMANGF-MWLCHTKSSA-N -1 1 332.353 1.746 20 5 EDBDMM O=C([O-])CN1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000844213880 595303606 /nfs/dbraw/zinc/30/36/06/595303606.db2.gz MIGWVVMVDZTEHB-UHFFFAOYSA-N -1 1 334.254 1.215 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCO[C@H]1CC1(F)F ZINC000849444200 595527263 /nfs/dbraw/zinc/52/72/63/595527263.db2.gz TYJFFXJLHZNJBU-VIFPVBQESA-N -1 1 340.279 1.436 20 5 EDBDMM CC(C)(C)n1cc([N-]c2ncnc(N3CCOCC3)c2[N+](=O)[O-])cn1 ZINC000856725372 596061036 /nfs/dbraw/zinc/06/10/36/596061036.db2.gz KETNUBJCRXOOCN-UHFFFAOYSA-N -1 1 347.379 1.917 20 5 EDBDMM O=C(Nc1ncccc1[O-])c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000067133958 215115937 /nfs/dbraw/zinc/11/59/37/215115937.db2.gz ABFZFROYVHJYBR-UHFFFAOYSA-N -1 1 326.272 1.528 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3OCC[C@H]32)c([N+](=O)[O-])n1 ZINC000331521231 141042191 /nfs/dbraw/zinc/04/21/91/141042191.db2.gz KIYRRMJRJNQWAJ-AXFHLTTASA-N -1 1 344.393 1.047 20 5 EDBDMM O=C(N[C@H]1C[C@@]12CCOc1ccccc12)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000371790152 156105726 /nfs/dbraw/zinc/10/57/26/156105726.db2.gz LGAOMEUOUCOQEO-WMLDXEAASA-N -1 1 341.323 1.918 20 5 EDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CN1C1CC1 ZINC000124111888 287394239 /nfs/dbraw/zinc/39/42/39/287394239.db2.gz FRUXMDCZXKAOPE-RKDXNWHRSA-N -1 1 331.419 1.560 20 5 EDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000273484859 268049200 /nfs/dbraw/zinc/04/92/00/268049200.db2.gz LBSUUSTYACMICB-LBPRGKRZSA-N -1 1 330.362 1.212 20 5 EDBDMM C[C@@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CC(=O)[O-] ZINC000275049757 268270888 /nfs/dbraw/zinc/27/08/88/268270888.db2.gz SFDYPBZCOFNAFH-QMMMGPOBSA-N -1 1 334.325 1.513 20 5 EDBDMM CC1(C)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@]2(CCOC2)O1 ZINC000280523084 273366911 /nfs/dbraw/zinc/36/69/11/273366911.db2.gz RFCOEZOPXVQHSS-OAHLLOKOSA-N -1 1 337.332 1.106 20 5 EDBDMM CNC(=O)c1ccc(N2CCC(c3n[n-]c(=O)o3)CC2)c([N+](=O)[O-])c1 ZINC000285545935 274575791 /nfs/dbraw/zinc/57/57/91/274575791.db2.gz IFFGMNFULAOQJI-UHFFFAOYSA-N -1 1 347.331 1.015 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)C1CCCC1 ZINC000289608795 288742615 /nfs/dbraw/zinc/74/26/15/288742615.db2.gz RZRRTTPNDQILQF-NSHDSACASA-N -1 1 332.353 1.563 20 5 EDBDMM CC(C)C(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290009332 288820929 /nfs/dbraw/zinc/82/09/29/288820929.db2.gz XLALJCOIXBNYSG-UHFFFAOYSA-N -1 1 338.744 1.891 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccccc2F)c([N+](=O)[O-])n1 ZINC000435803234 305147522 /nfs/dbraw/zinc/14/75/22/305147522.db2.gz CRQPRWFCPLLNIB-UHFFFAOYSA-N -1 1 342.352 1.471 20 5 EDBDMM C[C@H](COCC(F)(F)F)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000067430067 441640334 /nfs/dbraw/zinc/64/03/34/441640334.db2.gz SRGXDHXXAYLDLE-ZCFIWIBFSA-N -1 1 348.324 1.902 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(CC2CCOCC2)CC1 ZINC000077028258 441712445 /nfs/dbraw/zinc/71/24/45/441712445.db2.gz WBAYXTKQBJPNNS-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM Cc1sc(S(=O)(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000123876919 441902095 /nfs/dbraw/zinc/90/20/95/441902095.db2.gz STGIVXVEWSTNOU-NSHDSACASA-N -1 1 345.446 1.727 20 5 EDBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000193589944 442756960 /nfs/dbraw/zinc/75/69/60/442756960.db2.gz QCLOYGDHJYEAJP-UHFFFAOYSA-N -1 1 338.323 1.804 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(c2ccccn2)CC1 ZINC000189565973 442979417 /nfs/dbraw/zinc/97/94/17/442979417.db2.gz IEOISHFMPLOSGS-UHFFFAOYSA-N -1 1 343.343 1.443 20 5 EDBDMM CCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000298132998 318792149 /nfs/dbraw/zinc/79/21/49/318792149.db2.gz JVVQGLLLQLINGX-UHFFFAOYSA-N -1 1 336.348 1.074 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCC1 ZINC000269473469 443318152 /nfs/dbraw/zinc/31/81/52/443318152.db2.gz JQIBAQWHRLFHLT-UHFFFAOYSA-N -1 1 332.309 1.108 20 5 EDBDMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000273140592 443548104 /nfs/dbraw/zinc/54/81/04/443548104.db2.gz VOGRZLIJPNIMRS-BDAKNGLRSA-N -1 1 348.352 1.600 20 5 EDBDMM O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]Cc2nnc(C3CC3)o2)c1 ZINC000440085463 320062261 /nfs/dbraw/zinc/06/22/61/320062261.db2.gz ATPYSXKWZHFCDK-UHFFFAOYSA-N -1 1 338.345 1.475 20 5 EDBDMM COc1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000288247325 443818859 /nfs/dbraw/zinc/81/88/59/443818859.db2.gz BGTQKSFXXXZVOH-LURJTMIESA-N -1 1 328.268 1.833 20 5 EDBDMM Cc1ccsc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000536903779 320732450 /nfs/dbraw/zinc/73/24/50/320732450.db2.gz FUDCESOFHXSRST-UHFFFAOYSA-N -1 1 327.387 1.881 20 5 EDBDMM CCNC(=O)C[C@H]1CCCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000285647798 444059454 /nfs/dbraw/zinc/05/94/54/444059454.db2.gz CEKWHTATRXQDHU-LLVKDONJSA-N -1 1 336.348 1.216 20 5 EDBDMM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cccc1[N+](=O)[O-] ZINC000320687222 444331546 /nfs/dbraw/zinc/33/15/46/444331546.db2.gz PQSASODJAGFXNB-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000339046492 445007266 /nfs/dbraw/zinc/00/72/66/445007266.db2.gz AJRDJXSLCNGWBG-QWRGUYRKSA-N -1 1 330.410 1.916 20 5 EDBDMM Cc1ccc(O[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)cn1 ZINC000373182814 446080551 /nfs/dbraw/zinc/08/05/51/446080551.db2.gz LYVBYCNSONHVQQ-ZDUSSCGKSA-N -1 1 344.327 1.692 20 5 EDBDMM COC(=O)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000361984272 446128992 /nfs/dbraw/zinc/12/89/92/446128992.db2.gz SMJYJXIRYKORCW-LBPRGKRZSA-N -1 1 331.284 1.340 20 5 EDBDMM CN(C)c1noc([C@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000373574855 446267369 /nfs/dbraw/zinc/26/73/69/446267369.db2.gz IVNXBDQKMNJDGE-SECBINFHSA-N -1 1 348.319 1.122 20 5 EDBDMM COc1ccc2c(c1)OCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000374791794 446394440 /nfs/dbraw/zinc/39/44/40/446394440.db2.gz HSJFUTQCTDERIV-UHFFFAOYSA-N -1 1 345.311 1.739 20 5 EDBDMM Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000432180993 446454502 /nfs/dbraw/zinc/45/45/02/446454502.db2.gz YLWWTDZVBFLSAR-UHFFFAOYSA-N -1 1 341.301 1.699 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCNCC2(F)F)s1 ZINC000420455701 446633725 /nfs/dbraw/zinc/63/37/25/446633725.db2.gz ZUOMIAZHDUSTQI-ZETCQYMHSA-N -1 1 341.361 1.179 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375594516 446913069 /nfs/dbraw/zinc/91/30/69/446913069.db2.gz AUCPTZAIJCQVLG-SECBINFHSA-N -1 1 345.315 1.586 20 5 EDBDMM CC[C@H](C)[C@H](O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000443279046 447023045 /nfs/dbraw/zinc/02/30/45/447023045.db2.gz FHGIQDOQQMDDLP-GZMMTYOYSA-N -1 1 336.797 1.934 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(CC(C)C)[nH]n2)c([N+](=O)[O-])n1 ZINC000443412146 447048374 /nfs/dbraw/zinc/04/83/74/447048374.db2.gz VFMHSRFXLAFYGD-UHFFFAOYSA-N -1 1 342.381 1.534 20 5 EDBDMM C[C@H]1[C@H](C(=O)[O-])CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576114942 447977215 /nfs/dbraw/zinc/97/72/15/447977215.db2.gz CIXLWTSEBASZOQ-JOYOIKCWSA-N -1 1 332.316 1.940 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)NC1(c2nn[n-]n2)CCCC1 ZINC000491842921 448137350 /nfs/dbraw/zinc/13/73/50/448137350.db2.gz HBIYOGJZVZWOQE-VMPITWQZSA-N -1 1 328.332 1.707 20 5 EDBDMM C[C@@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000571999956 448259277 /nfs/dbraw/zinc/25/92/77/448259277.db2.gz CUSKHRYMAMYMHS-BXUZGUMPSA-N -1 1 347.371 1.527 20 5 EDBDMM CC1(C)CCC[C@]1(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000566750358 448552907 /nfs/dbraw/zinc/55/29/07/448552907.db2.gz FROXJFLDZRSQSL-ZDUSSCGKSA-N -1 1 329.378 1.209 20 5 EDBDMM O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000539326128 448609154 /nfs/dbraw/zinc/60/91/54/448609154.db2.gz NPNJJUMEAHFQDP-SECBINFHSA-N -1 1 342.315 1.874 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2CC(C(F)(F)F)C2)nc1 ZINC000593595528 449096891 /nfs/dbraw/zinc/09/68/91/449096891.db2.gz GGMIULPRXWZDRV-UHFFFAOYSA-N -1 1 325.268 1.609 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nc(C(F)(F)F)no1 ZINC000600030893 449154725 /nfs/dbraw/zinc/15/47/25/449154725.db2.gz HZBZCXGSONMZGX-BYPYZUCNSA-N -1 1 347.209 1.588 20 5 EDBDMM O=[N+]([O-])c1ccc([O-])cc1CN(CCN1CCOCC1)CC1CC1 ZINC000595806693 449178002 /nfs/dbraw/zinc/17/80/02/449178002.db2.gz DZFWWXIMCAEEMJ-UHFFFAOYSA-N -1 1 335.404 1.845 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598603440 449486822 /nfs/dbraw/zinc/48/68/22/449486822.db2.gz SWGLAEHVPLKHCJ-SECBINFHSA-N -1 1 340.361 1.943 20 5 EDBDMM O=C([O-])[C@@H]1CCCCCN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000598657701 449523545 /nfs/dbraw/zinc/52/35/45/449523545.db2.gz DNDOLSHPFJJVMH-LBPRGKRZSA-N -1 1 332.316 1.941 20 5 EDBDMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C)CO1 ZINC000594816423 449725430 /nfs/dbraw/zinc/72/54/30/449725430.db2.gz HUFVRNGBKFLDQV-VHSXEESVSA-N -1 1 349.434 1.044 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])n1 ZINC000594851782 449759994 /nfs/dbraw/zinc/75/99/94/449759994.db2.gz CITRXLRAYPSTRH-VWYCJHECSA-N -1 1 328.394 1.526 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000599245459 449827782 /nfs/dbraw/zinc/82/77/82/449827782.db2.gz VKVUKGMBQUJOIQ-MRVPVSSYSA-N -1 1 326.334 1.073 20 5 EDBDMM Cc1cc(=O)n2[n-]c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)nc2n1 ZINC000608800738 449941463 /nfs/dbraw/zinc/94/14/63/449941463.db2.gz ZPQYSKSKMNMJAE-UHFFFAOYSA-N -1 1 348.706 1.540 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@]2(C)C[C@H]3C[C@H]3C2)c([N+](=O)[O-])n1 ZINC000599481069 450008679 /nfs/dbraw/zinc/00/86/79/450008679.db2.gz GURITLMFHCEFTF-DDFAGTSDSA-N -1 1 328.394 1.526 20 5 EDBDMM O=C(NCc1cc2c([nH]c1=O)CCC2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609599877 450063396 /nfs/dbraw/zinc/06/33/96/450063396.db2.gz LBWKMYVOWCHILC-UHFFFAOYSA-N -1 1 330.300 1.215 20 5 EDBDMM COC(=O)c1cc(C(=O)[N-]c2nc(C3CC3)no2)cc([N+](=O)[O-])c1 ZINC000734877380 578842512 /nfs/dbraw/zinc/84/25/12/578842512.db2.gz YTRKZUBPIANWRD-UHFFFAOYSA-N -1 1 332.272 1.894 20 5 EDBDMM O=C([N-]c1nc(C2CC2)no1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000734879193 578842857 /nfs/dbraw/zinc/84/28/57/578842857.db2.gz XDDSIQGRNJMKOA-UHFFFAOYSA-N -1 1 341.287 1.688 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC(CNC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000739539160 579216490 /nfs/dbraw/zinc/21/64/90/579216490.db2.gz JDRHKVNZZIITQT-UHFFFAOYSA-N -1 1 325.325 1.000 20 5 EDBDMM COc1ccc(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nc1 ZINC000767583651 580193556 /nfs/dbraw/zinc/19/35/56/580193556.db2.gz DBIQUPWQGVCZER-UHFFFAOYSA-N -1 1 329.359 1.538 20 5 EDBDMM O=C(NC[C@@H](O)c1ccccc1Cl)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770518715 580263169 /nfs/dbraw/zinc/26/31/69/580263169.db2.gz ROIWHJTUBZKJCH-GFCCVEGCSA-N -1 1 337.719 1.812 20 5 EDBDMM CN(CC(F)(F)F)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780074669 580511455 /nfs/dbraw/zinc/51/14/55/580511455.db2.gz HONMPJUEPNJZKQ-UHFFFAOYSA-N -1 1 336.222 1.478 20 5 EDBDMM Cc1n[nH]cc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000798222159 580991296 /nfs/dbraw/zinc/99/12/96/580991296.db2.gz JYTLVRFFSIOMBT-UHFFFAOYSA-N -1 1 330.753 1.758 20 5 EDBDMM Cc1cc(N2CCC(N3CCOCC3)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000910358480 592843438 /nfs/dbraw/zinc/84/34/38/592843438.db2.gz XODKFOKPRDJJAM-UHFFFAOYSA-N -1 1 349.387 1.902 20 5 EDBDMM O=c1[n-]c([C@H]2CCCN(C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)n[nH]1 ZINC000808777500 593287591 /nfs/dbraw/zinc/28/75/91/593287591.db2.gz PBKYLVLWOHLZKW-AAEUAGOBSA-N -1 1 333.348 1.332 20 5 EDBDMM C[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019114 593610057 /nfs/dbraw/zinc/61/00/57/593610057.db2.gz CVZWGVODXSVGKR-BQBZGAKWSA-N -1 1 340.760 1.683 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1c(F)cc(F)cc1F ZINC000815077123 593613782 /nfs/dbraw/zinc/61/37/82/593613782.db2.gz ZBBYAIIMHPRQSW-UHFFFAOYSA-N -1 1 347.274 1.886 20 5 EDBDMM CC(C)N1C[C@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1=O ZINC000820128654 593793424 /nfs/dbraw/zinc/79/34/24/593793424.db2.gz SMMZKSPGPJSVLS-SNVBAGLBSA-N -1 1 331.336 1.196 20 5 EDBDMM COc1ccc2c(c1)CCN2c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821849424 593953785 /nfs/dbraw/zinc/95/37/85/593953785.db2.gz HZIRBLFXGFUYQZ-UHFFFAOYSA-N -1 1 339.315 1.873 20 5 EDBDMM COc1ccc2c(c1)CCN2c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821849424 593953788 /nfs/dbraw/zinc/95/37/88/593953788.db2.gz HZIRBLFXGFUYQZ-UHFFFAOYSA-N -1 1 339.315 1.873 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453720 594016180 /nfs/dbraw/zinc/01/61/80/594016180.db2.gz UNLPUJBKFXPREK-QMMMGPOBSA-N -1 1 325.325 1.171 20 5 EDBDMM CCOC(=O)N1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821333834 594020624 /nfs/dbraw/zinc/02/06/24/594020624.db2.gz ARNOFTXIMFFXMN-UHFFFAOYSA-N -1 1 347.335 1.053 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000828028937 594326037 /nfs/dbraw/zinc/32/60/37/594326037.db2.gz INNWUXWCAZXCDX-HNNXBMFYSA-N -1 1 331.332 1.607 20 5 EDBDMM CC[C@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000828048414 594330373 /nfs/dbraw/zinc/33/03/73/594330373.db2.gz BJOOROWAUUYTKW-MRVPVSSYSA-N -1 1 334.325 1.211 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826497115 594502323 /nfs/dbraw/zinc/50/23/23/594502323.db2.gz VCGRXTUHZVVJAF-MNOVXSKESA-N -1 1 345.363 1.423 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000826497115 594502325 /nfs/dbraw/zinc/50/23/25/594502325.db2.gz VCGRXTUHZVVJAF-MNOVXSKESA-N -1 1 345.363 1.423 20 5 EDBDMM CCn1ccnc1[C@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832415738 594748775 /nfs/dbraw/zinc/74/87/75/594748775.db2.gz WARBZIFWNKSPMY-VIFPVBQESA-N -1 1 342.352 1.990 20 5 EDBDMM Cc1nn(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833920617 594965534 /nfs/dbraw/zinc/96/55/34/594965534.db2.gz LZDCSNSIJZDXRV-KOLCDFICSA-N -1 1 348.363 1.583 20 5 EDBDMM Cc1nn(CN2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833920617 594965535 /nfs/dbraw/zinc/96/55/35/594965535.db2.gz LZDCSNSIJZDXRV-KOLCDFICSA-N -1 1 348.363 1.583 20 5 EDBDMM CC[C@]1([N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CCOC1 ZINC000867183927 594984317 /nfs/dbraw/zinc/98/43/17/594984317.db2.gz PHYZWYRWLFDEHB-ZDUSSCGKSA-N -1 1 332.353 1.890 20 5 EDBDMM O=C([O-])N[C@@H]1CCCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000834185432 595046084 /nfs/dbraw/zinc/04/60/84/595046084.db2.gz ZAGMPBJJMLMONI-NEPJUHHUSA-N -1 1 339.348 1.067 20 5 EDBDMM O=C([O-])C[C@H]1CSCCN1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846273688 595193612 /nfs/dbraw/zinc/19/36/12/595193612.db2.gz BZFFUIKGYBQQBX-QWHCGFSZSA-N -1 1 326.374 1.520 20 5 EDBDMM O=C1NCC[C@@H]1[N-]c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000853744779 595869902 /nfs/dbraw/zinc/86/99/02/595869902.db2.gz WDEHJFOWARTGIJ-LURJTMIESA-N -1 1 334.210 1.822 20 5 EDBDMM O=C(NC[C@@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130033218 598043866 /nfs/dbraw/zinc/04/38/66/598043866.db2.gz LIDFMIHLMKCPBQ-GFCCVEGCSA-N -1 1 337.719 1.812 20 5 EDBDMM COc1ccc(NC(=O)[C@@H](C)N(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738024256 600376661 /nfs/dbraw/zinc/37/66/61/600376661.db2.gz AVNIIAITMIMOAR-VHSXEESVSA-N -1 1 339.348 1.583 20 5 EDBDMM COCc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821695749 606698195 /nfs/dbraw/zinc/69/81/95/606698195.db2.gz GYVGIGYPOHYBFR-UHFFFAOYSA-N -1 1 341.331 1.928 20 5 EDBDMM COCc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821695749 606698197 /nfs/dbraw/zinc/69/81/97/606698197.db2.gz GYVGIGYPOHYBFR-UHFFFAOYSA-N -1 1 341.331 1.928 20 5 EDBDMM O=C(Cc1ccccc1[N+](=O)[O-])N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000918758035 697206512 /nfs/dbraw/zinc/20/65/12/697206512.db2.gz VBKYAZVIMFAQNZ-OAHLLOKOSA-N -1 1 338.327 1.556 20 5 EDBDMM CCn1cnnc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000056066519 214355949 /nfs/dbraw/zinc/35/59/49/214355949.db2.gz CJACMROTIRAFQC-UHFFFAOYSA-N -1 1 345.768 1.338 20 5 EDBDMM O=C(NC[C@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000102468935 219204802 /nfs/dbraw/zinc/20/48/02/219204802.db2.gz FYELKMXIKBQJIN-MRVPVSSYSA-N -1 1 348.281 1.309 20 5 EDBDMM CC(C)n1c(CNC(=O)c2ccc(N)c([N+](=O)[O-])c2)n[n-]c1=S ZINC000066639234 215062018 /nfs/dbraw/zinc/06/20/18/215062018.db2.gz AVLNOYLRJRUEOA-UHFFFAOYSA-N -1 1 336.377 1.942 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-]CC(F)(F)CO)c1 ZINC000184301303 235359988 /nfs/dbraw/zinc/35/99/88/235359988.db2.gz AUBWSIOQNHQSCO-UHFFFAOYSA-N -1 1 344.723 1.463 20 5 EDBDMM O=C([O-])C1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000262621203 139290819 /nfs/dbraw/zinc/29/08/19/139290819.db2.gz FAWIRQHUWDCMOC-AWEZNQCLSA-N -1 1 333.344 1.497 20 5 EDBDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000492238212 255164472 /nfs/dbraw/zinc/16/44/72/255164472.db2.gz GZWLXEUEXJKLOG-SYTKJHMZSA-N -1 1 328.332 1.527 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000332273256 141154115 /nfs/dbraw/zinc/15/41/15/141154115.db2.gz GYWSAYHGVLUWBK-UONOGXRCSA-N -1 1 335.360 1.709 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CO)CCC(C)(C)C)c([N+](=O)[O-])n1 ZINC000360540556 152086966 /nfs/dbraw/zinc/08/69/66/152086966.db2.gz AZAVKUBSBBKNJF-JTQLQIEISA-N -1 1 348.425 1.277 20 5 EDBDMM COc1ccc(OCCN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000274860938 268225470 /nfs/dbraw/zinc/22/54/70/268225470.db2.gz AQPVALOLOBPBQL-UHFFFAOYSA-N -1 1 347.327 1.855 20 5 EDBDMM CC(C)(C)OC(=O)NCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274983319 268256272 /nfs/dbraw/zinc/25/62/72/268256272.db2.gz PYXUNORPWYPPCV-UHFFFAOYSA-N -1 1 340.336 1.340 20 5 EDBDMM CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277827370 268585203 /nfs/dbraw/zinc/58/52/03/268585203.db2.gz YWHXUWMIVJIKAR-GXSJLCMTSA-N -1 1 336.348 1.072 20 5 EDBDMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000277925878 273235724 /nfs/dbraw/zinc/23/57/24/273235724.db2.gz QHSOXBMOESYZQM-SCZZXKLOSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C([O-])[C@@H](CC1CC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000287454442 288241695 /nfs/dbraw/zinc/24/16/95/288241695.db2.gz IHUVSYKYYOANIE-SECBINFHSA-N -1 1 332.309 1.266 20 5 EDBDMM Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000289601140 288740878 /nfs/dbraw/zinc/74/08/78/288740878.db2.gz WOQSLSXFAWZYDM-SSDOTTSWSA-N -1 1 326.334 1.513 20 5 EDBDMM Cc1cccc2c1OC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000292033487 289244056 /nfs/dbraw/zinc/24/40/56/289244056.db2.gz QIRYVASIEHMUOV-LBPRGKRZSA-N -1 1 329.312 1.737 20 5 EDBDMM CC(C)(C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000537123847 306026049 /nfs/dbraw/zinc/02/60/49/306026049.db2.gz LFXJHOBDTXPYAH-LLVKDONJSA-N -1 1 344.375 1.792 20 5 EDBDMM COC(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146721248 441899580 /nfs/dbraw/zinc/89/95/80/441899580.db2.gz LBGRXQAIDYPDCN-UHFFFAOYSA-N -1 1 336.753 1.478 20 5 EDBDMM O=C(c1ncccc1[O-])N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000171235655 442332239 /nfs/dbraw/zinc/33/22/39/442332239.db2.gz GBLVAPSUZGQNSI-UHFFFAOYSA-N -1 1 328.328 1.658 20 5 EDBDMM Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cnn1C ZINC000179668430 442487578 /nfs/dbraw/zinc/48/75/78/442487578.db2.gz CZTSKDKTCAFLLC-UHFFFAOYSA-N -1 1 326.334 1.452 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccccn2)s1 ZINC000178910797 442522928 /nfs/dbraw/zinc/52/29/28/442522928.db2.gz YCBSEOXFOHDXLY-UHFFFAOYSA-N -1 1 327.387 1.962 20 5 EDBDMM CN(CCOc1ccc(F)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186799919 442614181 /nfs/dbraw/zinc/61/41/81/442614181.db2.gz YWHXIDPBAOHVGG-UHFFFAOYSA-N -1 1 335.291 1.986 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000194743235 442947293 /nfs/dbraw/zinc/94/72/93/442947293.db2.gz FVMZYWHZWBFHKY-TXEJJXNPSA-N -1 1 337.376 1.530 20 5 EDBDMM O=C(c1cncc([O-])c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296948514 318737896 /nfs/dbraw/zinc/73/78/96/318737896.db2.gz MXPZKIBJXDVPGP-UHFFFAOYSA-N -1 1 329.316 1.053 20 5 EDBDMM CCc1nc([C@H]2CN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CCO2)n[nH]1 ZINC000269362306 443293403 /nfs/dbraw/zinc/29/34/03/443293403.db2.gz UTVLPKMJTJVKHV-LLVKDONJSA-N -1 1 347.331 1.195 20 5 EDBDMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000267383205 443438273 /nfs/dbraw/zinc/43/82/73/443438273.db2.gz VNFBXJCYWHSXOG-VIFPVBQESA-N -1 1 337.332 1.499 20 5 EDBDMM CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000265122493 443540732 /nfs/dbraw/zinc/54/07/32/443540732.db2.gz DSRPNJGXSXDYRE-ZJUUUORDSA-N -1 1 336.348 1.072 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1cc(F)cc(F)c1 ZINC000525699481 320491909 /nfs/dbraw/zinc/49/19/09/320491909.db2.gz HDIJKBRRAGEBHS-UHFFFAOYSA-N -1 1 329.284 1.747 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@@H]1C1CC1 ZINC000541387829 320770565 /nfs/dbraw/zinc/77/05/65/320770565.db2.gz QCYKJPYQXDENHI-NEPJUHHUSA-N -1 1 332.403 1.892 20 5 EDBDMM CCOC(=O)CCC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298963865 443914624 /nfs/dbraw/zinc/91/46/24/443914624.db2.gz HCQOLORJLUXMHA-UHFFFAOYSA-N -1 1 334.325 1.356 20 5 EDBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)N1CCCCC1=O ZINC000337786065 444406322 /nfs/dbraw/zinc/40/63/22/444406322.db2.gz XDVHRUDJHDICQW-VIFPVBQESA-N -1 1 347.418 1.336 20 5 EDBDMM Cc1cc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)ccc1[N+](=O)[O-] ZINC000340364671 444381557 /nfs/dbraw/zinc/38/15/57/444381557.db2.gz CERKVIVDMFHKIS-UHFFFAOYSA-N -1 1 347.356 1.359 20 5 EDBDMM COC(=O)c1coc(S(=O)(=O)[N-]Cc2ccccc2[N+](=O)[O-])c1 ZINC000338215062 444567512 /nfs/dbraw/zinc/56/75/12/444567512.db2.gz SRCYRAYAPWCLCU-UHFFFAOYSA-N -1 1 340.313 1.453 20 5 EDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1 ZINC000341466483 444846549 /nfs/dbraw/zinc/84/65/49/444846549.db2.gz KOGADAXUYMPOEZ-UHFFFAOYSA-N -1 1 339.329 1.657 20 5 EDBDMM CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339188092 445080655 /nfs/dbraw/zinc/08/06/55/445080655.db2.gz OQOOKYNEAYLTGG-GXTWGEPZSA-N -1 1 333.348 1.689 20 5 EDBDMM O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000611072362 450423334 /nfs/dbraw/zinc/42/33/34/450423334.db2.gz QYCYJPLGMFGVEB-MRVPVSSYSA-N -1 1 336.739 1.781 20 5 EDBDMM CCc1nc(S(=O)(=O)Cc2c(F)cc([N+](=O)[O-])cc2F)n[n-]1 ZINC000350183542 445789012 /nfs/dbraw/zinc/78/90/12/445789012.db2.gz HVZFWHPPUNCQFK-UHFFFAOYSA-N -1 1 332.288 1.527 20 5 EDBDMM COC(=O)C(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356517562 445836723 /nfs/dbraw/zinc/83/67/23/445836723.db2.gz XARPHWKWRFPQII-UHFFFAOYSA-N -1 1 336.753 1.478 20 5 EDBDMM CC(C)[C@H](CO)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)C ZINC000452955173 446514489 /nfs/dbraw/zinc/51/44/89/446514489.db2.gz YSTXROIWNNKYPQ-STQMWFEESA-N -1 1 325.365 1.714 20 5 EDBDMM CN(CC(=O)Nc1cccc(F)c1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000444824748 447138660 /nfs/dbraw/zinc/13/86/60/447138660.db2.gz HORZGWCTHLHMDY-UHFFFAOYSA-N -1 1 348.290 1.545 20 5 EDBDMM CCN1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000451863177 447766421 /nfs/dbraw/zinc/76/64/21/447766421.db2.gz HNOZRHCWFFKUJL-QMMMGPOBSA-N -1 1 347.780 1.147 20 5 EDBDMM C[C@H](CN(C)C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000487126209 447827808 /nfs/dbraw/zinc/82/78/08/447827808.db2.gz RCBFGBZLUDWXAB-SSDOTTSWSA-N -1 1 340.290 1.191 20 5 EDBDMM COc1ccccc1-c1nc([N-]C(=O)c2ccc([N+](=O)[O-])cn2)n[nH]1 ZINC000531644039 448122790 /nfs/dbraw/zinc/12/27/90/448122790.db2.gz KBUAQFJZMMNAKI-UHFFFAOYSA-N -1 1 340.299 2.036 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCCC1 ZINC000582595298 448284542 /nfs/dbraw/zinc/28/45/42/448284542.db2.gz SCOFPYOPCXXYHO-GFCCVEGCSA-N -1 1 343.405 1.599 20 5 EDBDMM CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2NC)n[nH]1 ZINC000545199514 448776694 /nfs/dbraw/zinc/77/66/94/448776694.db2.gz JVIWWRIYJQDTNB-UHFFFAOYSA-N -1 1 333.304 1.789 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)CC1CCCC1 ZINC000520614810 448918013 /nfs/dbraw/zinc/91/80/13/448918013.db2.gz OSKFDMLMDGFQHI-LLVKDONJSA-N -1 1 329.378 1.209 20 5 EDBDMM CC[C@H](C(=O)[O-])N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593289193 449208537 /nfs/dbraw/zinc/20/85/37/449208537.db2.gz UBNVPBJOEYFXAF-GFCCVEGCSA-N -1 1 330.362 1.164 20 5 EDBDMM O=C(NC[C@@H](n1cccn1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600832239 449569255 /nfs/dbraw/zinc/56/92/55/449569255.db2.gz SSJGJSVYSUIHTM-SECBINFHSA-N -1 1 345.237 1.425 20 5 EDBDMM COc1cccc([C@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)OC)c1 ZINC000600831447 449569972 /nfs/dbraw/zinc/56/99/72/449569972.db2.gz YGBGMETVXLHFTB-AWEZNQCLSA-N -1 1 347.327 1.822 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594826238 449734012 /nfs/dbraw/zinc/73/40/12/449734012.db2.gz FZDZOZUBCUVKNV-QMMMGPOBSA-N -1 1 334.781 1.688 20 5 EDBDMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000594867058 449782708 /nfs/dbraw/zinc/78/27/08/449782708.db2.gz UKYCEIJUORRKDO-JTQLQIEISA-N -1 1 340.354 1.226 20 5 EDBDMM COc1ccccc1OCCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609202844 449977270 /nfs/dbraw/zinc/97/72/70/449977270.db2.gz YRAWLOUQARLUFW-UHFFFAOYSA-N -1 1 347.327 1.903 20 5 EDBDMM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@@H](N2CCOCC2)CC1 ZINC000597619283 450148730 /nfs/dbraw/zinc/14/87/30/450148730.db2.gz FJSHLCBQYHKWJA-CYBMUJFWSA-N -1 1 349.387 1.627 20 5 EDBDMM COc1ncccc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352592665 536900972 /nfs/dbraw/zinc/90/09/72/536900972.db2.gz HOHQGCQNCVNQFG-UHFFFAOYSA-N -1 1 343.386 1.581 20 5 EDBDMM Cc1[nH]ncc1CCCNC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738248338 578337255 /nfs/dbraw/zinc/33/72/55/578337255.db2.gz BAWSIEXYTKBXNC-UHFFFAOYSA-N -1 1 332.316 1.687 20 5 EDBDMM CCc1[nH]nc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1[N+](=O)[O-] ZINC000737244629 579059516 /nfs/dbraw/zinc/05/95/16/579059516.db2.gz BARDBPZVHCSUCX-UHFFFAOYSA-N -1 1 336.304 1.752 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739376266 579198044 /nfs/dbraw/zinc/19/80/44/579198044.db2.gz MRZIGCMGHCHVML-SECBINFHSA-N -1 1 339.352 1.485 20 5 EDBDMM O=C([O-])N1CCC[C@H](NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000739388964 579199341 /nfs/dbraw/zinc/19/93/41/579199341.db2.gz RJTQFWBOACPSGY-QMMMGPOBSA-N -1 1 333.304 1.343 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCCC[C@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000739541226 579216698 /nfs/dbraw/zinc/21/66/98/579216698.db2.gz ZYSJLIMWTXGQJX-QMMMGPOBSA-N -1 1 325.325 1.143 20 5 EDBDMM COc1ccc(C(=O)[N-]C(=O)COc2ncc(C)cc2[N+](=O)[O-])cc1 ZINC000767203857 580183736 /nfs/dbraw/zinc/18/37/36/580183736.db2.gz BRDQEVOHGKJDLS-UHFFFAOYSA-N -1 1 345.311 1.642 20 5 EDBDMM O=C([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2cncn2c1 ZINC000793110495 580835870 /nfs/dbraw/zinc/83/58/70/580835870.db2.gz MPWZORGSKCKYQV-UHFFFAOYSA-N -1 1 346.324 1.361 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])[nH]n1 ZINC000815016983 593609935 /nfs/dbraw/zinc/60/99/35/593609935.db2.gz TZCQWPFBABHDDV-UHFFFAOYSA-N -1 1 348.743 1.897 20 5 EDBDMM CC(C)(C)OC(=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819927944 593777580 /nfs/dbraw/zinc/77/75/80/593777580.db2.gz CCKKOCPJMNQSFX-UHFFFAOYSA-N -1 1 335.324 1.314 20 5 EDBDMM CC(C)(C)OC(=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819927944 593777581 /nfs/dbraw/zinc/77/75/81/593777581.db2.gz CCKKOCPJMNQSFX-UHFFFAOYSA-N -1 1 335.324 1.314 20 5 EDBDMM CCOc1ncccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821437130 593835039 /nfs/dbraw/zinc/83/50/39/593835039.db2.gz JJMHUDZOFSBMCB-UHFFFAOYSA-N -1 1 342.319 1.576 20 5 EDBDMM CCOc1ncccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821437130 593835041 /nfs/dbraw/zinc/83/50/41/593835041.db2.gz JJMHUDZOFSBMCB-UHFFFAOYSA-N -1 1 342.319 1.576 20 5 EDBDMM O=C([O-])[C@H]1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)C1 ZINC000821511350 593850496 /nfs/dbraw/zinc/85/04/96/593850496.db2.gz INYAZVBNNTUUNQ-NSHDSACASA-N -1 1 334.332 1.201 20 5 EDBDMM COCc1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821695407 593917978 /nfs/dbraw/zinc/91/79/78/593917978.db2.gz YBEKTAZZEVZRPS-UHFFFAOYSA-N -1 1 341.331 1.928 20 5 EDBDMM COCc1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821695407 593917979 /nfs/dbraw/zinc/91/79/79/593917979.db2.gz YBEKTAZZEVZRPS-UHFFFAOYSA-N -1 1 341.331 1.928 20 5 EDBDMM O=C(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])NC1CCCCC1 ZINC000823014331 594137127 /nfs/dbraw/zinc/13/71/27/594137127.db2.gz LBDOILFNMWGDDR-UHFFFAOYSA-N -1 1 346.351 1.031 20 5 EDBDMM O=C(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])NC1CCCCC1 ZINC000823014331 594137129 /nfs/dbraw/zinc/13/71/29/594137129.db2.gz LBDOILFNMWGDDR-UHFFFAOYSA-N -1 1 346.351 1.031 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823620519 594221908 /nfs/dbraw/zinc/22/19/08/594221908.db2.gz MPHWGNMBMCOBGX-IEBDPFPHSA-N -1 1 331.336 1.539 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823620519 594221909 /nfs/dbraw/zinc/22/19/09/594221909.db2.gz MPHWGNMBMCOBGX-IEBDPFPHSA-N -1 1 331.336 1.539 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nnn[n-]2)nn1 ZINC000826212393 594380798 /nfs/dbraw/zinc/38/07/98/594380798.db2.gz OTVKQFGKARQNLL-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNc1ccc(-c2nn[n-]n2)nn1 ZINC000826212393 594380800 /nfs/dbraw/zinc/38/08/00/594380800.db2.gz OTVKQFGKARQNLL-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM Nc1n[nH]c(CCCNc2sccc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000826395385 594458180 /nfs/dbraw/zinc/45/81/80/594458180.db2.gz YRBAJGZQLRCYDU-UHFFFAOYSA-N -1 1 335.353 1.186 20 5 EDBDMM Nc1n[nH]c(CCCNc2sccc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000826395385 594458184 /nfs/dbraw/zinc/45/81/84/594458184.db2.gz YRBAJGZQLRCYDU-UHFFFAOYSA-N -1 1 335.353 1.186 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCCOC[C@H]2CCOC2)cc1-c1nnn[n-]1 ZINC000826499108 594502848 /nfs/dbraw/zinc/50/28/48/594502848.db2.gz WDFXIIUTDMZXGR-LLVKDONJSA-N -1 1 348.363 1.630 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCCOC[C@H]2CCOC2)cc1-c1nn[n-]n1 ZINC000826499108 594502850 /nfs/dbraw/zinc/50/28/50/594502850.db2.gz WDFXIIUTDMZXGR-LLVKDONJSA-N -1 1 348.363 1.630 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC[C@H]2CCOC2)cc1F ZINC000867095086 594870979 /nfs/dbraw/zinc/87/09/79/594870979.db2.gz WYJXYDFMLPLAJD-JTQLQIEISA-N -1 1 332.353 1.747 20 5 EDBDMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000841574961 594925849 /nfs/dbraw/zinc/92/58/49/594925849.db2.gz YYPHQOFXCJQOBT-JCJUMFQOSA-N -1 1 338.744 1.579 20 5 EDBDMM O=C([N-]S(=O)(=O)c1csc2ccccc21)[C@@H]1CC1[N+](=O)[O-] ZINC000842360232 595085867 /nfs/dbraw/zinc/08/58/67/595085867.db2.gz ZIEVERHOOKEARC-RKDXNWHRSA-N -1 1 326.355 1.371 20 5 EDBDMM COCC(C)(C)C[N-]S(=O)(=O)c1cc(F)c(C)cc1[N+](=O)[O-] ZINC000867297992 595108402 /nfs/dbraw/zinc/10/84/02/595108402.db2.gz QQCHZTMRVDIEMO-UHFFFAOYSA-N -1 1 334.369 1.993 20 5 EDBDMM Cn1cnnc1C[N-]C(=O)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848580187 595407862 /nfs/dbraw/zinc/40/78/62/595407862.db2.gz JDSYBRKHPOFKIG-UHFFFAOYSA-N -1 1 327.247 1.011 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H]1C[C@@H](O)C1 ZINC000859362936 596066210 /nfs/dbraw/zinc/06/62/10/596066210.db2.gz BPJQCSKWQOJUBD-KNVOCYPGSA-N -1 1 338.744 1.437 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856751334 596072427 /nfs/dbraw/zinc/07/24/27/596072427.db2.gz YNCULEVRICMRMC-ZETCQYMHSA-N -1 1 340.188 1.852 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000866596517 596264399 /nfs/dbraw/zinc/26/43/99/596264399.db2.gz GPZVVSMOUJYQCG-JTQLQIEISA-N -1 1 343.380 1.557 20 5 EDBDMM O=C(NC[C@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130033462 598043851 /nfs/dbraw/zinc/04/38/51/598043851.db2.gz LIDFMIHLMKCPBQ-LBPRGKRZSA-N -1 1 337.719 1.812 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)s1 ZINC000161066426 138642159 /nfs/dbraw/zinc/64/21/59/138642159.db2.gz FMUOOQSOZUZEMF-LLVKDONJSA-N -1 1 342.398 1.538 20 5 EDBDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000491859196 255152862 /nfs/dbraw/zinc/15/28/62/255152862.db2.gz LJJWNKSZYXYAQJ-SREVYHEPSA-N -1 1 328.332 1.707 20 5 EDBDMM COc1nc(C)cc(C)c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000340281859 142329019 /nfs/dbraw/zinc/32/90/19/142329019.db2.gz FHEBHBDZWQJGAA-UHFFFAOYSA-N -1 1 332.316 1.646 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)C1CC1 ZINC000352586112 149075869 /nfs/dbraw/zinc/07/58/69/149075869.db2.gz MMXOFJPSLAIPQZ-SECBINFHSA-N -1 1 334.781 1.545 20 5 EDBDMM O=C([O-])c1csc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000362812662 152821345 /nfs/dbraw/zinc/82/13/45/152821345.db2.gz JHPHDELPFHBUQK-UHFFFAOYSA-N -1 1 347.312 1.556 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ncn(C)n1 ZINC000275738040 273124221 /nfs/dbraw/zinc/12/42/21/273124221.db2.gz ZAQYBUTZCNRQJJ-SSDOTTSWSA-N -1 1 345.768 1.416 20 5 EDBDMM O=C(NCCOCC(F)(F)C(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277655067 273215350 /nfs/dbraw/zinc/21/53/50/273215350.db2.gz ZIXIIVZQXMDJBK-UHFFFAOYSA-N -1 1 341.217 1.342 20 5 EDBDMM CCC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(C)c1)c1nn[n-]n1 ZINC000280797723 273399663 /nfs/dbraw/zinc/39/96/63/273399663.db2.gz LTHGSWSNZHLBST-LLVKDONJSA-N -1 1 334.336 1.453 20 5 EDBDMM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000248759122 287779981 /nfs/dbraw/zinc/77/99/81/287779981.db2.gz JBGRRXVOWWNOCY-JQLIAFOBSA-N -1 1 341.389 1.505 20 5 EDBDMM CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000369736538 278013971 /nfs/dbraw/zinc/01/39/71/278013971.db2.gz OPNZFZJLCIQLPW-OLZOCXBDSA-N -1 1 348.359 1.311 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C)[S@]1=O ZINC000287609416 288276471 /nfs/dbraw/zinc/27/64/71/288276471.db2.gz YSMWQTMUTPIZCQ-SNLDROCSSA-N -1 1 327.362 1.067 20 5 EDBDMM C[C@@H](CCO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290815616 288957846 /nfs/dbraw/zinc/95/78/46/288957846.db2.gz SOFHCOLIPSKATL-ZETCQYMHSA-N -1 1 340.760 1.684 20 5 EDBDMM CCOc1ccc(NC(=O)CN(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000430652322 305061511 /nfs/dbraw/zinc/06/15/11/305061511.db2.gz HTKCMHBMBCTQMN-UHFFFAOYSA-N -1 1 339.348 1.729 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000436792435 305167276 /nfs/dbraw/zinc/16/72/76/305167276.db2.gz OGEDYOJLZOIFHQ-UHFFFAOYSA-N -1 1 334.288 1.409 20 5 EDBDMM CCOC(=O)CC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000444848095 305253683 /nfs/dbraw/zinc/25/36/83/305253683.db2.gz LELRZPYAYJTSIM-UHFFFAOYSA-N -1 1 337.332 1.501 20 5 EDBDMM CCOc1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000540423990 306039609 /nfs/dbraw/zinc/03/96/09/306039609.db2.gz VKTIIFASUDTHCO-LLVKDONJSA-N -1 1 346.347 1.526 20 5 EDBDMM CNc1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000540425376 306039735 /nfs/dbraw/zinc/03/97/35/306039735.db2.gz XDRUZZZYQDNCTO-JTQLQIEISA-N -1 1 331.336 1.169 20 5 EDBDMM NC(=O)CCCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000542846469 306059468 /nfs/dbraw/zinc/05/94/68/306059468.db2.gz JLHRNTGXQIQIAT-UHFFFAOYSA-N -1 1 335.769 1.182 20 5 EDBDMM COC(=O)c1sc2[n-]c(Cn3nccc3[N+](=O)[O-])nc(=O)c2c1C ZINC000128039622 442241761 /nfs/dbraw/zinc/24/17/61/442241761.db2.gz VWVNGEKSVZGEID-UHFFFAOYSA-N -1 1 349.328 1.233 20 5 EDBDMM COc1ccc(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000170877566 442281561 /nfs/dbraw/zinc/28/15/61/442281561.db2.gz GMJMWCATYZDNJR-UHFFFAOYSA-N -1 1 335.291 1.816 20 5 EDBDMM CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cn1 ZINC000156558920 442494742 /nfs/dbraw/zinc/49/47/42/442494742.db2.gz OVOZMZSGPHMBLN-UHFFFAOYSA-N -1 1 326.334 1.626 20 5 EDBDMM CC(C)(O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000186276794 442502953 /nfs/dbraw/zinc/50/29/53/442502953.db2.gz GVEOVMHYCZHRHD-UHFFFAOYSA-N -1 1 331.328 1.853 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1COc2ccccc21 ZINC000187204642 442660640 /nfs/dbraw/zinc/66/06/40/442660640.db2.gz DEEMBWKDTMKNFV-CABZTGNLSA-N -1 1 329.312 1.990 20 5 EDBDMM CCc1cc(=O)[n-]c(SCc2ccc(C(N)=O)cc2[N+](=O)[O-])n1 ZINC000188116686 442713157 /nfs/dbraw/zinc/71/31/57/442713157.db2.gz KWDZOPQQMBZXHV-UHFFFAOYSA-N -1 1 334.357 1.632 20 5 EDBDMM O=C(N[C@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193753114 442779901 /nfs/dbraw/zinc/77/99/01/442779901.db2.gz SJOHTYWFKVXGTA-DRZSPHRISA-N -1 1 333.344 1.773 20 5 EDBDMM C[C@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195480496 443022843 /nfs/dbraw/zinc/02/28/43/443022843.db2.gz LUJPGQGWPGDMOW-CPCISQLKSA-N -1 1 347.780 1.051 20 5 EDBDMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000195480494 443023127 /nfs/dbraw/zinc/02/31/27/443023127.db2.gz LUJPGQGWPGDMOW-HQJQHLMTSA-N -1 1 347.780 1.051 20 5 EDBDMM Cc1noc([C@@H]2CC[C@H](CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)O2)n1 ZINC000278444672 443333923 /nfs/dbraw/zinc/33/39/23/443333923.db2.gz WSRXTUSTCPMELQ-KOLCDFICSA-N -1 1 349.303 1.037 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278838566 443457560 /nfs/dbraw/zinc/45/75/60/443457560.db2.gz VPYZXGZFGOXHNO-OCCSQVGLSA-N -1 1 344.389 1.208 20 5 EDBDMM O=C(NC[C@]1(CO)C[C@H]1c1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000290959709 443721726 /nfs/dbraw/zinc/72/17/26/443721726.db2.gz PXWOQUICHYSRRI-GUYCJALGSA-N -1 1 343.339 1.591 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2ccco2)CC1 ZINC000277870859 444055128 /nfs/dbraw/zinc/05/51/28/444055128.db2.gz VGBCEQYQQDAWGC-UHFFFAOYSA-N -1 1 332.316 1.246 20 5 EDBDMM CC(=O)c1ccc(N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c([N+](=O)[O-])c1 ZINC000285767231 444101335 /nfs/dbraw/zinc/10/13/35/444101335.db2.gz VVEPUUXYFRPLPV-NSHDSACASA-N -1 1 331.332 1.593 20 5 EDBDMM O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000278138756 444103708 /nfs/dbraw/zinc/10/37/08/444103708.db2.gz NWPDPUCRJQFPHC-HZMBPMFUSA-N -1 1 339.373 1.480 20 5 EDBDMM Cc1ccc(N2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)cc1 ZINC000278146607 444105939 /nfs/dbraw/zinc/10/59/39/444105939.db2.gz WKHKIBUZUUXOCQ-UHFFFAOYSA-N -1 1 342.355 1.966 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccsc2)c([N+](=O)[O-])n1 ZINC000339049503 445009189 /nfs/dbraw/zinc/00/91/89/445009189.db2.gz NFKFDCJAQNWOFQ-UHFFFAOYSA-N -1 1 330.391 1.394 20 5 EDBDMM Cc1cccc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000359793022 445431383 /nfs/dbraw/zinc/43/13/83/445431383.db2.gz AQGMVRFLDGMLJC-UHFFFAOYSA-N -1 1 327.387 1.881 20 5 EDBDMM Cn1c2cc([O-])c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2n(C)c1=O ZINC000359825125 445446683 /nfs/dbraw/zinc/44/66/83/445446683.db2.gz UZQHIQKSVSFBAN-UHFFFAOYSA-N -1 1 342.311 1.743 20 5 EDBDMM Cc1cc(OCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000369162534 445963264 /nfs/dbraw/zinc/96/32/64/445963264.db2.gz HZVSFBLSCBWZMY-NSHDSACASA-N -1 1 346.347 1.201 20 5 EDBDMM COc1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1O ZINC000361907236 446055395 /nfs/dbraw/zinc/05/53/95/446055395.db2.gz OMNWJMJELXMVJD-UHFFFAOYSA-N -1 1 333.300 1.682 20 5 EDBDMM O=C1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]2CCCCN12 ZINC000369320429 446071915 /nfs/dbraw/zinc/07/19/15/446071915.db2.gz XYZLBPQKTYWYGN-IUCAKERBSA-N -1 1 345.402 1.088 20 5 EDBDMM Cc1nc(C)n([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000369351285 446095225 /nfs/dbraw/zinc/09/52/25/446095225.db2.gz BECJDPDIMPJXOR-GFCCVEGCSA-N -1 1 346.347 1.381 20 5 EDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@]2(CCCOC2)O1 ZINC000366468357 446226491 /nfs/dbraw/zinc/22/64/91/446226491.db2.gz SHFSHWBAGUJHFY-ZUZCIYMTSA-N -1 1 337.332 1.106 20 5 EDBDMM CCOC(=O)C1(C)CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000371430845 446850004 /nfs/dbraw/zinc/85/00/04/446850004.db2.gz DCBWKDFTNNTCMZ-UHFFFAOYSA-N -1 1 337.332 1.501 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(=O)NC ZINC000452086763 447813861 /nfs/dbraw/zinc/81/38/61/447813861.db2.gz PBZZSLCXWVRGOP-QMMMGPOBSA-N -1 1 335.769 1.051 20 5 EDBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576114940 447977553 /nfs/dbraw/zinc/97/75/53/447977553.db2.gz CIXLWTSEBASZOQ-BXKDBHETSA-N -1 1 332.316 1.940 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1COc2ccccc21 ZINC000517617635 448599838 /nfs/dbraw/zinc/59/98/38/448599838.db2.gz ZGGKVGZWSVHRHK-SNVBAGLBSA-N -1 1 335.341 1.444 20 5 EDBDMM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597819389 449106179 /nfs/dbraw/zinc/10/61/79/449106179.db2.gz GSYFJJUFXULRBI-NSHDSACASA-N -1 1 344.327 1.202 20 5 EDBDMM C[C@H]1CCCCN1CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603976867 449166381 /nfs/dbraw/zinc/16/63/81/449166381.db2.gz JSZSULLTWSDYHF-NSHDSACASA-N -1 1 343.405 1.453 20 5 EDBDMM C[C@H]1COCCN1C1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000590388848 449144165 /nfs/dbraw/zinc/14/41/65/449144165.db2.gz OPYWPJBNNCDIOQ-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC000600703317 449503450 /nfs/dbraw/zinc/50/34/50/449503450.db2.gz QGVPTTXATRPNTD-WOPDTQHZSA-N -1 1 335.360 1.964 20 5 EDBDMM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000299053033 524961377 /nfs/dbraw/zinc/96/13/77/524961377.db2.gz HZJHJFPAWDDEPZ-VIFPVBQESA-N -1 1 328.325 1.297 20 5 EDBDMM CC[S@@](=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000735081583 578857825 /nfs/dbraw/zinc/85/78/25/578857825.db2.gz SYSYOLPYCRGWMB-LJQANCHMSA-N -1 1 340.810 1.295 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000737039045 579042585 /nfs/dbraw/zinc/04/25/85/579042585.db2.gz NDWABKDJRKWWGR-SECBINFHSA-N -1 1 336.348 1.597 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739376268 579198086 /nfs/dbraw/zinc/19/80/86/579198086.db2.gz MRZIGCMGHCHVML-VIFPVBQESA-N -1 1 339.352 1.485 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccccn1 ZINC000758514305 579984629 /nfs/dbraw/zinc/98/46/29/579984629.db2.gz HCOAFYNXBQLSNR-NSHDSACASA-N -1 1 341.320 1.141 20 5 EDBDMM O=C([O-])c1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)nc2)c1 ZINC000765144751 580136061 /nfs/dbraw/zinc/13/60/61/580136061.db2.gz ZJYFPERBVQXPFE-UHFFFAOYSA-N -1 1 341.276 1.628 20 5 EDBDMM Nc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000773313758 580333507 /nfs/dbraw/zinc/33/35/07/580333507.db2.gz GOJAXXUXTQMCGK-QMMMGPOBSA-N -1 1 333.304 1.285 20 5 EDBDMM O=C(OCc1nnc2n1CCCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000788956893 580733576 /nfs/dbraw/zinc/73/35/76/580733576.db2.gz DKZIWHCFZCLAPN-UHFFFAOYSA-N -1 1 332.316 1.975 20 5 EDBDMM C[C@@H](OC(=O)c1cn[n-]n1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000805605513 593111215 /nfs/dbraw/zinc/11/12/15/593111215.db2.gz JEFCQHMVJOUMLB-SSDOTTSWSA-N -1 1 330.260 1.681 20 5 EDBDMM O=C(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)OC1CCCCC1 ZINC000802659465 593269037 /nfs/dbraw/zinc/26/90/37/593269037.db2.gz UWOPNSNYSDGSPZ-UHFFFAOYSA-N -1 1 337.332 1.691 20 5 EDBDMM CC(C)c1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])on1 ZINC000820187487 593798012 /nfs/dbraw/zinc/79/80/12/593798012.db2.gz DCZXITBSOKDSFE-UHFFFAOYSA-N -1 1 330.308 1.893 20 5 EDBDMM CC(C)c1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])on1 ZINC000820187487 593798013 /nfs/dbraw/zinc/79/80/13/593798013.db2.gz DCZXITBSOKDSFE-UHFFFAOYSA-N -1 1 330.308 1.893 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)[C@H]1CC(c2ccccc2[N+](=O)[O-])=NO1 ZINC000820403177 593816438 /nfs/dbraw/zinc/81/64/38/593816438.db2.gz RMPBRAJPOYMKQI-LLVKDONJSA-N -1 1 331.288 1.464 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453035 594015594 /nfs/dbraw/zinc/01/55/94/594015594.db2.gz FHLNWSVVWMDIOB-SECBINFHSA-N -1 1 339.352 1.656 20 5 EDBDMM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000822472457 594053802 /nfs/dbraw/zinc/05/38/02/594053802.db2.gz UINZHWIHDSVGIA-UHFFFAOYSA-N -1 1 349.332 1.198 20 5 EDBDMM Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000822472457 594053804 /nfs/dbraw/zinc/05/38/04/594053804.db2.gz UINZHWIHDSVGIA-UHFFFAOYSA-N -1 1 349.332 1.198 20 5 EDBDMM COCCOCCCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000826160733 594355285 /nfs/dbraw/zinc/35/52/85/594355285.db2.gz DCAYJTFWRLBOML-UHFFFAOYSA-N -1 1 336.352 1.630 20 5 EDBDMM COCCOCCCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000826160733 594355286 /nfs/dbraw/zinc/35/52/86/594355286.db2.gz DCAYJTFWRLBOML-UHFFFAOYSA-N -1 1 336.352 1.630 20 5 EDBDMM O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501689 594504141 /nfs/dbraw/zinc/50/41/41/594504141.db2.gz CBPDWSAVRUNOLP-UHFFFAOYSA-N -1 1 339.271 1.126 20 5 EDBDMM O=c1oc2ccc([N+](=O)[O-])cc2n1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501689 594504143 /nfs/dbraw/zinc/50/41/43/594504143.db2.gz CBPDWSAVRUNOLP-UHFFFAOYSA-N -1 1 339.271 1.126 20 5 EDBDMM O=C([O-])C[C@@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833211817 594805180 /nfs/dbraw/zinc/80/51/80/594805180.db2.gz NUBFIIIXMCHMJW-LBPRGKRZSA-N -1 1 331.332 1.750 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833211817 594805181 /nfs/dbraw/zinc/80/51/81/594805181.db2.gz NUBFIIIXMCHMJW-LBPRGKRZSA-N -1 1 331.332 1.750 20 5 EDBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C(=O)O1 ZINC000841525496 594915398 /nfs/dbraw/zinc/91/53/98/594915398.db2.gz SACSMRQNAREQGL-SVRRBLITSA-N -1 1 334.737 1.231 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000849414103 595523475 /nfs/dbraw/zinc/52/34/75/595523475.db2.gz AAHSMCMGQUTBDG-KOLCDFICSA-N -1 1 348.352 1.064 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COC2(CCC2)C1 ZINC000849449275 595531463 /nfs/dbraw/zinc/53/14/63/595531463.db2.gz BBSVHZSZPOIKDP-VIFPVBQESA-N -1 1 330.337 1.724 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)cs1 ZINC000120277798 596395742 /nfs/dbraw/zinc/39/57/42/596395742.db2.gz LFZVKTSBHXMGMQ-UHFFFAOYSA-N -1 1 325.331 1.728 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCOCC2)s1 ZINC000867881544 596599680 /nfs/dbraw/zinc/59/96/80/596599680.db2.gz DUJCOCSIVNYQOD-VHSXEESVSA-N -1 1 332.403 1.750 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000874961043 597223964 /nfs/dbraw/zinc/22/39/64/597223964.db2.gz QKDBMULGYZTHIX-KBPBESRZSA-N -1 1 340.339 1.799 20 5 EDBDMM CC(C)[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000738795968 602776067 /nfs/dbraw/zinc/77/60/67/602776067.db2.gz ZPGPUTRGDJOYCJ-LLVKDONJSA-N -1 1 335.320 1.493 20 5 EDBDMM COc1ccccc1OCCN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445171858 697280066 /nfs/dbraw/zinc/28/00/66/697280066.db2.gz IDWJUNQLFSWHSN-UHFFFAOYSA-N -1 1 347.327 1.855 20 5 EDBDMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263649607 535404292 /nfs/dbraw/zinc/40/42/92/535404292.db2.gz AWOUKMURRHXJAD-ZETCQYMHSA-N -1 1 335.769 1.051 20 5 EDBDMM C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000340450666 299329975 /nfs/dbraw/zinc/32/99/75/299329975.db2.gz WLQIJCKEAIAGNG-BYPYZUCNSA-N -1 1 343.144 1.653 20 5 EDBDMM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCCN1C1CCOCC1 ZINC000092547063 218149965 /nfs/dbraw/zinc/14/99/65/218149965.db2.gz FXBXJULINDCJKW-CQSZACIVSA-N -1 1 335.360 1.882 20 5 EDBDMM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000263389734 139339523 /nfs/dbraw/zinc/33/95/23/139339523.db2.gz YNMOTKUEVHFRPL-RKDXNWHRSA-N -1 1 332.316 1.654 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000151072524 304802437 /nfs/dbraw/zinc/80/24/37/304802437.db2.gz OIQAFTKMQQLNEH-KKZNHRDASA-N -1 1 332.765 1.846 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@H]32)c([N+](=O)[O-])n1 ZINC000331521243 141042529 /nfs/dbraw/zinc/04/25/29/141042529.db2.gz KIYRRMJRJNQWAJ-HBNTYKKESA-N -1 1 344.393 1.047 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ccccn2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000159044942 225134879 /nfs/dbraw/zinc/13/48/79/225134879.db2.gz URKOIJBIGISDPM-SNVBAGLBSA-N -1 1 329.316 1.099 20 5 EDBDMM CCO[C@@H]1C[C@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000278086420 268611489 /nfs/dbraw/zinc/61/14/89/268611489.db2.gz PQHYETAOYVDLIZ-ZOWXZIJZSA-N -1 1 337.332 1.152 20 5 EDBDMM C[S@](=O)C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187135890 272948662 /nfs/dbraw/zinc/94/86/62/272948662.db2.gz ZXGJUIUBFVOKIG-MCFWBGNESA-N -1 1 349.368 1.545 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCO[C@H](c2nccs2)C1 ZINC000277767315 273225363 /nfs/dbraw/zinc/22/53/63/273225363.db2.gz RYWFXKYFYZYIGU-JTQLQIEISA-N -1 1 336.329 1.366 20 5 EDBDMM C[C@@H]1COCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000277925868 273235774 /nfs/dbraw/zinc/23/57/74/273235774.db2.gz QHSOXBMOESYZQM-PSASIEDQSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000281001835 273424497 /nfs/dbraw/zinc/42/44/97/273424497.db2.gz MSZKPSHBQJJDAC-GFCCVEGCSA-N -1 1 335.360 1.095 20 5 EDBDMM C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000292138995 289270943 /nfs/dbraw/zinc/27/09/43/289270943.db2.gz YRZDRFYLLPACRZ-HZGVNTEJSA-N -1 1 338.744 1.843 20 5 EDBDMM C[C@H]1CN(C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)CCO1 ZINC000184766636 300237168 /nfs/dbraw/zinc/23/71/68/300237168.db2.gz WDLCDUWCKAYULM-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM C[C@@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295608978 303241148 /nfs/dbraw/zinc/24/11/48/303241148.db2.gz NRJFCVXLENLSET-ZCFIWIBFSA-N -1 1 343.188 1.951 20 5 EDBDMM CC(C)(NC(=O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)c1nn[n-]n1 ZINC000438037581 305180692 /nfs/dbraw/zinc/18/06/92/305180692.db2.gz LKPAHFGOTDZPRZ-UHFFFAOYSA-N -1 1 344.253 1.792 20 5 EDBDMM COCCNc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000445199042 305257915 /nfs/dbraw/zinc/25/79/15/305257915.db2.gz XBKGDUUPMCOJKJ-UHFFFAOYSA-N -1 1 346.343 1.684 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)on1 ZINC000531578904 305962041 /nfs/dbraw/zinc/96/20/41/305962041.db2.gz VIKCWLSMWOCCRU-UHFFFAOYSA-N -1 1 341.345 1.632 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC[C@H]1CCCCO1 ZINC000546182503 306092037 /nfs/dbraw/zinc/09/20/37/306092037.db2.gz DURWVMFPFGNRAP-LLVKDONJSA-N -1 1 329.378 1.617 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2CO)s1 ZINC000159765891 441836683 /nfs/dbraw/zinc/83/66/83/441836683.db2.gz HOHJNJCJIKNBOA-UHFFFAOYSA-N -1 1 328.371 1.627 20 5 EDBDMM C[C@H](N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1)C(F)(F)F ZINC000175428078 442061135 /nfs/dbraw/zinc/06/11/35/442061135.db2.gz LXPMFPKFEBPUKA-QMMMGPOBSA-N -1 1 348.281 1.404 20 5 EDBDMM O=C(NCCc1cn2ccccc2n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186840096 442620032 /nfs/dbraw/zinc/62/00/32/442620032.db2.gz BJNXPCIVGVJGMS-UHFFFAOYSA-N -1 1 327.300 1.316 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnc2ccccn21 ZINC000188139275 442715379 /nfs/dbraw/zinc/71/53/79/442715379.db2.gz XQFMVJVKRKDUKZ-MRVPVSSYSA-N -1 1 328.288 1.229 20 5 EDBDMM O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193753103 442779329 /nfs/dbraw/zinc/77/93/29/442779329.db2.gz SJOHTYWFKVXGTA-UHTWSYAYSA-N -1 1 333.344 1.773 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H]2COc3ccccc3C2)s1 ZINC000194403017 442890336 /nfs/dbraw/zinc/89/03/36/442890336.db2.gz IDEVYYKTEKCDPI-SNVBAGLBSA-N -1 1 340.382 1.938 20 5 EDBDMM O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000269133206 443207912 /nfs/dbraw/zinc/20/79/12/443207912.db2.gz IUPVEDUXQDNOIY-LKFCYVNXSA-N -1 1 339.373 1.480 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000185827804 443265024 /nfs/dbraw/zinc/26/50/24/443265024.db2.gz CHJODVDUEFEARF-SNVBAGLBSA-N -1 1 347.306 1.238 20 5 EDBDMM C[C@@H]1OCC[C@@]12CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C[C@@H](C)O2 ZINC000279136239 443518966 /nfs/dbraw/zinc/51/89/66/443518966.db2.gz AIASPOVDOHWWEW-HFBDOXOYSA-N -1 1 337.332 1.104 20 5 EDBDMM CCOc1ccc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c1 ZINC000283219374 443563806 /nfs/dbraw/zinc/56/38/06/443563806.db2.gz SDXWCQLWGHVQPT-VIFPVBQESA-N -1 1 334.336 1.382 20 5 EDBDMM O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc([O-])cc1 ZINC000530665197 320634542 /nfs/dbraw/zinc/63/45/42/320634542.db2.gz NQEHNSVAEIXNHP-UHFFFAOYSA-N -1 1 326.264 1.779 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000281258962 443861924 /nfs/dbraw/zinc/86/19/24/443861924.db2.gz DEDSIKAFKXFGEM-YRGRVCCFSA-N -1 1 335.360 1.851 20 5 EDBDMM COc1ccc(OC)c(CCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000299075384 443947094 /nfs/dbraw/zinc/94/70/94/443947094.db2.gz CZMYWXXMVGMCMG-UHFFFAOYSA-N -1 1 347.327 1.685 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2cccc(O)c2)CC1 ZINC000281641137 443966971 /nfs/dbraw/zinc/96/69/71/443966971.db2.gz REIQLDCLEPGKDA-UHFFFAOYSA-N -1 1 344.327 1.363 20 5 EDBDMM COCC1(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])CC1 ZINC000566312610 321226868 /nfs/dbraw/zinc/22/68/68/321226868.db2.gz AGHXNACZROTBTP-UHFFFAOYSA-N -1 1 330.318 1.214 20 5 EDBDMM O=C(NCc1cccc2c1CCCN2)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000567836326 321260656 /nfs/dbraw/zinc/26/06/56/321260656.db2.gz RXWMTVUASYLBPP-UHFFFAOYSA-N -1 1 328.328 1.984 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000290670090 444308618 /nfs/dbraw/zinc/30/86/18/444308618.db2.gz UZFXYWCTWGIHIH-GFCCVEGCSA-N -1 1 349.265 1.615 20 5 EDBDMM CC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000580181266 322019106 /nfs/dbraw/zinc/01/91/06/322019106.db2.gz UZDJLFYRACTBEK-SECBINFHSA-N -1 1 325.321 1.546 20 5 EDBDMM COc1cccc(COCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000339010001 444983016 /nfs/dbraw/zinc/98/30/16/444983016.db2.gz MMICQJHQCRTFJL-UHFFFAOYSA-N -1 1 347.327 1.651 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](SC)C2)c([N+](=O)[O-])n1 ZINC000330458504 444989209 /nfs/dbraw/zinc/98/92/09/444989209.db2.gz RXLSDSPWIZRNQI-UWVGGRQHSA-N -1 1 348.450 1.764 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000339192096 445081817 /nfs/dbraw/zinc/08/18/17/445081817.db2.gz KIDLKDRPQPHEMS-UHFFFAOYSA-N -1 1 332.316 1.632 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCCC2(C)C)c([N+](=O)[O-])n1 ZINC000339108404 445036415 /nfs/dbraw/zinc/03/64/15/445036415.db2.gz GKWWUTATKLCRAX-SNVBAGLBSA-N -1 1 330.410 1.916 20 5 EDBDMM O=C(CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)NCc1ccccc1 ZINC000354091541 445896750 /nfs/dbraw/zinc/89/67/50/445896750.db2.gz LLENFRDNFQAINV-UHFFFAOYSA-N -1 1 344.327 1.132 20 5 EDBDMM COc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)n1 ZINC000359572517 446298257 /nfs/dbraw/zinc/29/82/57/446298257.db2.gz ROCZMTFHVVHNKY-UHFFFAOYSA-N -1 1 334.288 1.038 20 5 EDBDMM CC(C)(C)OC(=O)CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007459 447155608 /nfs/dbraw/zinc/15/56/08/447155608.db2.gz YMAMQMBMAKXZFE-UHFFFAOYSA-N -1 1 325.321 1.547 20 5 EDBDMM O=C(NCc1nccn1CC(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445172519 447177291 /nfs/dbraw/zinc/17/72/91/447177291.db2.gz KTSVYRYOSLHLAJ-UHFFFAOYSA-N -1 1 345.237 1.384 20 5 EDBDMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000531367914 448071857 /nfs/dbraw/zinc/07/18/57/448071857.db2.gz PBSXWHQGSCERIH-ZJUUUORDSA-N -1 1 331.419 1.942 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1nc(C2CC2)cs1 ZINC000532451004 448261746 /nfs/dbraw/zinc/26/17/46/448261746.db2.gz XHXYDBMXTXNBJL-UHFFFAOYSA-N -1 1 340.386 1.802 20 5 EDBDMM CC(C)OCCN1CCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000592976438 449091476 /nfs/dbraw/zinc/09/14/76/449091476.db2.gz GHUACZTVXABUOX-UHFFFAOYSA-N -1 1 337.376 1.840 20 5 EDBDMM CC(C)CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000593743788 449175418 /nfs/dbraw/zinc/17/54/18/449175418.db2.gz FZBPBSQQVCYWIQ-UHFFFAOYSA-N -1 1 344.389 1.411 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc(Cl)cn1 ZINC000611416234 449285314 /nfs/dbraw/zinc/28/53/14/449285314.db2.gz LHKOPFLOUUMBKV-UHFFFAOYSA-N -1 1 328.737 1.517 20 5 EDBDMM O=C(N[C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000598459101 449406599 /nfs/dbraw/zinc/40/65/99/449406599.db2.gz PCWNUQGQCKSTFP-KWCYVHTRSA-N -1 1 329.287 1.903 20 5 EDBDMM Cc1noc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 ZINC000598603441 449487633 /nfs/dbraw/zinc/48/76/33/449487633.db2.gz SWGLAEHVPLKHCJ-VIFPVBQESA-N -1 1 340.361 1.943 20 5 EDBDMM O=C(N[C@H](c1nn[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000614262742 449533117 /nfs/dbraw/zinc/53/31/17/449533117.db2.gz ODUNZYSBRPDAMG-ZDUSSCGKSA-N -1 1 340.299 1.333 20 5 EDBDMM C[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594799188 449709784 /nfs/dbraw/zinc/70/97/84/449709784.db2.gz PXUSRTVLUPMHMH-XCBNKYQSSA-N -1 1 341.324 1.310 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000612532621 449756722 /nfs/dbraw/zinc/75/67/22/449756722.db2.gz BWAZVCQNNBUDKM-AWEZNQCLSA-N -1 1 349.387 1.627 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](C)O2)c([N+](=O)[O-])n1 ZINC000594851716 449760483 /nfs/dbraw/zinc/76/04/83/449760483.db2.gz KTHXLFWEVVDPOG-VHSXEESVSA-N -1 1 332.382 1.047 20 5 EDBDMM COc1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000618338518 450162191 /nfs/dbraw/zinc/16/21/91/450162191.db2.gz WKWHJQJYAQGNAR-UHFFFAOYSA-N -1 1 347.327 1.985 20 5 EDBDMM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610262230 450174058 /nfs/dbraw/zinc/17/40/58/450174058.db2.gz SICDGHCWYATSQB-RYUDHWBXSA-N -1 1 343.405 1.863 20 5 EDBDMM O=C(N[C@@H]1CCc2cc(O)ccc2C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000618575318 450250448 /nfs/dbraw/zinc/25/04/48/450250448.db2.gz DKNNSVUGVPIOMF-LLVKDONJSA-N -1 1 329.312 1.688 20 5 EDBDMM CCN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000619797931 450336439 /nfs/dbraw/zinc/33/64/39/450336439.db2.gz ZTWIVZXFQJXBPM-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM CCN1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000619797458 450336642 /nfs/dbraw/zinc/33/66/42/450336642.db2.gz FGCOZCFGDGNCGL-VIFPVBQESA-N -1 1 347.780 1.147 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCC[C@@H](N2CCOCC2)CC1 ZINC000619871593 450348149 /nfs/dbraw/zinc/34/81/49/450348149.db2.gz PCYKZENYFWIAQT-CQSZACIVSA-N -1 1 349.387 1.627 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCN(C(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000739376586 578279483 /nfs/dbraw/zinc/27/94/83/578279483.db2.gz TWFDVIAAIMBJES-QMMMGPOBSA-N -1 1 325.325 1.095 20 5 EDBDMM Cn1c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000761052372 580045506 /nfs/dbraw/zinc/04/55/06/580045506.db2.gz CPOVBZUSZAJKOK-UHFFFAOYSA-N -1 1 331.284 1.047 20 5 EDBDMM CC(C)(O)CN1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000736341260 578980261 /nfs/dbraw/zinc/98/02/61/578980261.db2.gz ROJPOTGSQXQKJC-XQRVVYSFSA-N -1 1 349.387 1.586 20 5 EDBDMM CC(C)N(CCC(=O)[O-])Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000736467867 578991382 /nfs/dbraw/zinc/99/13/82/578991382.db2.gz IMCALUMBORNABB-UHFFFAOYSA-N -1 1 333.348 1.996 20 5 EDBDMM C[C@H](CN(C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC000736573449 579001546 /nfs/dbraw/zinc/00/15/46/579001546.db2.gz VZUOFPOLTAFZMO-MRVPVSSYSA-N -1 1 329.740 1.839 20 5 EDBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nccnc1-c1nnn[n-]1 ZINC000736815063 579023434 /nfs/dbraw/zinc/02/34/34/579023434.db2.gz VDEDLFVVTNUYTM-UHFFFAOYSA-N -1 1 346.738 1.855 20 5 EDBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nccnc1-c1nn[n-]n1 ZINC000736815063 579023435 /nfs/dbraw/zinc/02/34/35/579023435.db2.gz VDEDLFVVTNUYTM-UHFFFAOYSA-N -1 1 346.738 1.855 20 5 EDBDMM CCOc1ccc(NC(=O)CN(C)C[C@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000737202792 579056507 /nfs/dbraw/zinc/05/65/07/579056507.db2.gz GAVOESYIIUJIRX-JTQLQIEISA-N -1 1 339.348 1.585 20 5 EDBDMM COc1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C(N)=O)cc1OC ZINC000745980077 579568946 /nfs/dbraw/zinc/56/89/46/579568946.db2.gz FKBZSYGVTWNHSA-UHFFFAOYSA-N -1 1 334.288 1.291 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000751394529 579804566 /nfs/dbraw/zinc/80/45/66/579804566.db2.gz WDZOSMOIOWCPKE-LBPRGKRZSA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000769047430 580226343 /nfs/dbraw/zinc/22/63/43/580226343.db2.gz JIJZSTGVIKFXST-PHIMTYICSA-N -1 1 336.344 1.962 20 5 EDBDMM COc1ccc([C@@H]2C[C@H]2NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000794162551 580878531 /nfs/dbraw/zinc/87/85/31/580878531.db2.gz UAYJAVPWSIACDQ-QWHCGFSZSA-N -1 1 329.312 1.990 20 5 EDBDMM COc1cc(C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc([N+](=O)[O-])c1C ZINC000801702234 581082809 /nfs/dbraw/zinc/08/28/09/581082809.db2.gz XPZOWTDXFYXCTF-UHFFFAOYSA-N -1 1 341.327 1.819 20 5 EDBDMM Cn1ncc([N+](=O)[O-])c1N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000893912891 591136010 /nfs/dbraw/zinc/13/60/10/591136010.db2.gz KZOXNDMBBNXWJB-MRVPVSSYSA-N -1 1 335.286 1.223 20 5 EDBDMM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000817147182 593576696 /nfs/dbraw/zinc/57/66/96/593576696.db2.gz YDJOHPANCZCACO-VHSXEESVSA-N -1 1 332.353 1.970 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000815027453 593610535 /nfs/dbraw/zinc/61/05/35/593610535.db2.gz QXERMSKRNXTQLE-NSHDSACASA-N -1 1 338.744 1.845 20 5 EDBDMM CC(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1 ZINC000824071497 593923310 /nfs/dbraw/zinc/92/33/10/593923310.db2.gz JESLMVPQDQTBHV-UHFFFAOYSA-N -1 1 333.352 1.349 20 5 EDBDMM CC(C)(C)C(=O)NCCNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1 ZINC000824071497 593923312 /nfs/dbraw/zinc/92/33/12/593923312.db2.gz JESLMVPQDQTBHV-UHFFFAOYSA-N -1 1 333.352 1.349 20 5 EDBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nnn[n-]2)c1)CC1(C)OCCO1 ZINC000824436814 594011506 /nfs/dbraw/zinc/01/15/06/594011506.db2.gz VPRMWEUFXWXYLO-JTQLQIEISA-N -1 1 348.363 1.976 20 5 EDBDMM C[C@H](CNc1ccc([N+](=O)[O-])c(-c2nn[n-]n2)c1)CC1(C)OCCO1 ZINC000824436814 594011508 /nfs/dbraw/zinc/01/15/08/594011508.db2.gz VPRMWEUFXWXYLO-JTQLQIEISA-N -1 1 348.363 1.976 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453469 594015567 /nfs/dbraw/zinc/01/55/67/594015567.db2.gz LTKYUUAPGKMRTR-MRVPVSSYSA-N -1 1 325.325 1.266 20 5 EDBDMM CCO[C@@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC000821358194 594026874 /nfs/dbraw/zinc/02/68/74/594026874.db2.gz IBKLGSWUZACHDK-GHMZBOCLSA-N -1 1 345.363 1.930 20 5 EDBDMM CCO[C@@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC000821358194 594026876 /nfs/dbraw/zinc/02/68/76/594026876.db2.gz IBKLGSWUZACHDK-GHMZBOCLSA-N -1 1 345.363 1.930 20 5 EDBDMM O=C([O-])C[C@]1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCOC1 ZINC000823345420 594189844 /nfs/dbraw/zinc/18/98/44/594189844.db2.gz XMBFRKNHFYPELX-OAHLLOKOSA-N -1 1 348.315 1.225 20 5 EDBDMM O=C(OCc1ccnc(-c2nnn[n-]2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823436280 594201674 /nfs/dbraw/zinc/20/16/74/594201674.db2.gz OJUVTQOFJMQHGA-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=C(OCc1ccnc(-c2nn[n-]n2)c1)c1ccc(F)cc1[N+](=O)[O-] ZINC000823436280 594201675 /nfs/dbraw/zinc/20/16/75/594201675.db2.gz OJUVTQOFJMQHGA-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccc(F)cc1 ZINC000823620276 594222034 /nfs/dbraw/zinc/22/20/34/594222034.db2.gz JIXLBBJUWLFBFH-NSHDSACASA-N -1 1 345.294 1.455 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccc(F)cc1 ZINC000823620276 594222035 /nfs/dbraw/zinc/22/20/35/594222035.db2.gz JIXLBBJUWLFBFH-NSHDSACASA-N -1 1 345.294 1.455 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCC[C@@H](O)c1ccccc1 ZINC000823624525 594222498 /nfs/dbraw/zinc/22/24/98/594222498.db2.gz BQLSXYSZRYBYLL-GFCCVEGCSA-N -1 1 341.331 1.706 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCC[C@@H](O)c1ccccc1 ZINC000823624525 594222499 /nfs/dbraw/zinc/22/24/99/594222499.db2.gz BQLSXYSZRYBYLL-GFCCVEGCSA-N -1 1 341.331 1.706 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000828020313 594323100 /nfs/dbraw/zinc/32/31/00/594323100.db2.gz NQXUKWNSQBUUKT-INIZCTEOSA-N -1 1 333.344 1.281 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCSCC(F)(F)F ZINC000826497620 594502145 /nfs/dbraw/zinc/50/21/45/594502145.db2.gz NONROCKVNKTEHA-UHFFFAOYSA-N -1 1 349.298 1.877 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCSCC(F)(F)F ZINC000826497620 594502146 /nfs/dbraw/zinc/50/21/46/594502146.db2.gz NONROCKVNKTEHA-UHFFFAOYSA-N -1 1 349.298 1.877 20 5 EDBDMM O=[N+]([O-])c1ccc(N2CCC(c3cc[nH]n3)CC2)cc1-c1nn[n-]n1 ZINC000826498938 594502873 /nfs/dbraw/zinc/50/28/73/594502873.db2.gz PFHNEVFQNXWUET-UHFFFAOYSA-N -1 1 340.347 1.882 20 5 EDBDMM CC1=C(C(=O)[O-])C[C@@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000833581081 594879707 /nfs/dbraw/zinc/87/97/07/594879707.db2.gz VLYIIOPVFJDFNE-HNNXBMFYSA-N -1 1 347.371 1.864 20 5 EDBDMM C[C@H]1CN(C(=O)Cc2ccccc2[N+](=O)[O-])CCN1CCC(=O)[O-] ZINC000833619408 594887334 /nfs/dbraw/zinc/88/73/34/594887334.db2.gz ASLUBYKBGFUAKE-LBPRGKRZSA-N -1 1 335.360 1.145 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)cc1F ZINC000867355381 595335591 /nfs/dbraw/zinc/33/55/91/595335591.db2.gz WFCZVJQQMUGGQX-CYBMUJFWSA-N -1 1 344.364 1.890 20 5 EDBDMM O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)[N-]CCCF ZINC000134519310 598103729 /nfs/dbraw/zinc/10/37/29/598103729.db2.gz QNKKSFBLKIOIAJ-UHFFFAOYSA-N -1 1 341.158 1.995 20 5 EDBDMM CCOCCC1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000825589333 607729692 /nfs/dbraw/zinc/72/96/92/607729692.db2.gz DWXMVZPSDHXGMZ-UHFFFAOYSA-N -1 1 333.352 1.789 20 5 EDBDMM CCOCCC1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000825589333 607729693 /nfs/dbraw/zinc/72/96/93/607729693.db2.gz DWXMVZPSDHXGMZ-UHFFFAOYSA-N -1 1 333.352 1.789 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@]23C[C@H]2COC32CCC2)s1 ZINC000922107031 709703781 /nfs/dbraw/zinc/70/37/81/709703781.db2.gz VSGOLNHPMJFCHQ-QPUJVOFHSA-N -1 1 330.387 1.646 20 5 EDBDMM CCn1c(CNC(=O)c2ccc([N+](=O)[O-])cc2F)n[n-]c1=S ZINC000066636989 215060346 /nfs/dbraw/zinc/06/03/46/215060346.db2.gz YDKOIOQNRRRADZ-UHFFFAOYSA-N -1 1 325.325 1.938 20 5 EDBDMM O=C([O-])C1CCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000262621204 284447445 /nfs/dbraw/zinc/44/74/45/284447445.db2.gz FAWIRQHUWDCMOC-CQSZACIVSA-N -1 1 333.344 1.497 20 5 EDBDMM CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C[C@H](C)O ZINC000253028514 139205483 /nfs/dbraw/zinc/20/54/83/139205483.db2.gz HWQQQPVFEVRTTC-AAEUAGOBSA-N -1 1 337.376 1.218 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(SCCO)n2)c1 ZINC000270720479 140155338 /nfs/dbraw/zinc/15/53/38/140155338.db2.gz FNGNYRIZBOIGOM-UHFFFAOYSA-N -1 1 339.333 1.058 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c([N+](=O)[O-])n1 ZINC000416509341 304326813 /nfs/dbraw/zinc/32/68/13/304326813.db2.gz FMPBRARIQAWJDU-LBPRGKRZSA-N -1 1 328.394 1.668 20 5 EDBDMM CC(C)(C)c1nc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n[nH]1 ZINC000416538428 304330011 /nfs/dbraw/zinc/33/00/11/304330011.db2.gz ARMTVYPMLWHCOL-UHFFFAOYSA-N -1 1 345.406 1.550 20 5 EDBDMM O=C(NCCSCC(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000355277475 150196155 /nfs/dbraw/zinc/19/61/55/150196155.db2.gz JCBYVXUNXXAIKG-UHFFFAOYSA-N -1 1 325.268 1.721 20 5 EDBDMM C[C@H](CO)[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000122798565 222160875 /nfs/dbraw/zinc/16/08/75/222160875.db2.gz ZIWYBYFXPAZNJB-ZCFIWIBFSA-N -1 1 339.167 1.016 20 5 EDBDMM C[C@@H](CN(C)C(=O)Cn1ccc2cc([N+](=O)[O-])ccc21)c1nn[n-]n1 ZINC000274721775 268191546 /nfs/dbraw/zinc/19/15/46/268191546.db2.gz ATMLIFCPVUACEH-JTQLQIEISA-N -1 1 343.347 1.325 20 5 EDBDMM CC1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])OCCCO1 ZINC000276955166 273172762 /nfs/dbraw/zinc/17/27/62/273172762.db2.gz OSPPRSPGCCLKIZ-UHFFFAOYSA-N -1 1 334.325 1.165 20 5 EDBDMM Cc1cc(N2CCC(NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n[nH]1 ZINC000276117679 273149938 /nfs/dbraw/zinc/14/99/38/273149938.db2.gz YADYXNQATQGGTC-UHFFFAOYSA-N -1 1 346.347 1.126 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNC(=O)C(=O)c1ccc([O-])cc1 ZINC000436913434 305169504 /nfs/dbraw/zinc/16/95/04/305169504.db2.gz GHXZKYHHLDVJCS-UHFFFAOYSA-N -1 1 330.296 1.808 20 5 EDBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cn1 ZINC000452013523 305378243 /nfs/dbraw/zinc/37/82/43/305378243.db2.gz YUQBYNVHSFVHJZ-VIFPVBQESA-N -1 1 342.381 1.067 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2(COC)CCCC2)c([N+](=O)[O-])n1 ZINC000452053927 305380879 /nfs/dbraw/zinc/38/08/79/305380879.db2.gz PWMHTGRMRPWNMY-UHFFFAOYSA-N -1 1 346.409 1.296 20 5 EDBDMM COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c(OC)c1 ZINC000028812887 441437999 /nfs/dbraw/zinc/43/79/99/441437999.db2.gz XJJMBHMJWVVKES-UHFFFAOYSA-N -1 1 347.327 1.573 20 5 EDBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N1CCc2ccccc21 ZINC000029916003 441477897 /nfs/dbraw/zinc/47/78/97/441477897.db2.gz JUGYLTRSMIHZBD-LLVKDONJSA-N -1 1 342.355 1.464 20 5 EDBDMM CCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000136639521 441709727 /nfs/dbraw/zinc/70/97/27/441709727.db2.gz DVKMPKXGZJEPOT-SNVBAGLBSA-N -1 1 335.280 1.287 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H]1CCCOC1 ZINC000146932038 441902034 /nfs/dbraw/zinc/90/20/34/441902034.db2.gz FOUSHXIYYLPNML-VIFPVBQESA-N -1 1 334.781 1.953 20 5 EDBDMM CSc1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000124372126 441922951 /nfs/dbraw/zinc/92/29/51/441922951.db2.gz MMOVGINOHQQUPK-QMMMGPOBSA-N -1 1 336.377 1.706 20 5 EDBDMM COc1ccccc1-c1nc([N-]C(=O)c2c([N+](=O)[O-])cnn2C)n[nH]1 ZINC000163513582 442171412 /nfs/dbraw/zinc/17/14/12/442171412.db2.gz PGRXJKXKRIBZOX-UHFFFAOYSA-N -1 1 343.303 1.374 20 5 EDBDMM CC[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000193784837 442786477 /nfs/dbraw/zinc/78/64/77/442786477.db2.gz JMIKTYJEJPYAHY-JTQLQIEISA-N -1 1 344.318 1.497 20 5 EDBDMM O=c1nc(Cn2cnc([N+](=O)[O-])n2)[n-]c2scc(-c3ccco3)c21 ZINC000193892806 442806792 /nfs/dbraw/zinc/80/67/92/442806792.db2.gz AIBQBSLWOUNIQE-UHFFFAOYSA-N -1 1 344.312 1.793 20 5 EDBDMM C[C@H]1CCNC(=O)[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195476074 443022004 /nfs/dbraw/zinc/02/20/04/443022004.db2.gz DUYDFTBEPNQBIF-WRWORJQWSA-N -1 1 347.780 1.051 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000184493063 443029398 /nfs/dbraw/zinc/02/93/98/443029398.db2.gz ZTFXXXODFLQOJP-KRWDZBQOSA-N -1 1 341.323 1.967 20 5 EDBDMM Cc1cccc(OC[C@@H](O)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000299128404 443963022 /nfs/dbraw/zinc/96/30/22/443963022.db2.gz KSNOVCZILCGZSE-LBPRGKRZSA-N -1 1 347.327 1.174 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000285523073 444015757 /nfs/dbraw/zinc/01/57/57/444015757.db2.gz ZHYNCERFVAXOET-LURJTMIESA-N -1 1 329.313 1.200 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000331244209 444456002 /nfs/dbraw/zinc/45/60/02/444456002.db2.gz ZIVUOWDZDDANOA-OUAUKWLOSA-N -1 1 330.410 1.914 20 5 EDBDMM CCOC(=O)[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344162587 444814768 /nfs/dbraw/zinc/81/47/68/444814768.db2.gz ILKALORXLYBUBX-YUMQZZPRSA-N -1 1 336.391 1.522 20 5 EDBDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000358915465 445846346 /nfs/dbraw/zinc/84/63/46/445846346.db2.gz OGQUCRNAAKDACI-UHFFFAOYSA-N -1 1 338.345 1.475 20 5 EDBDMM O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000366940716 446419698 /nfs/dbraw/zinc/41/96/98/446419698.db2.gz KPRQISDWWNERNC-JDNHERCYSA-N -1 1 344.327 1.798 20 5 EDBDMM C[C@@H]1c2ccccc2O[C@@H]1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000368267639 446748089 /nfs/dbraw/zinc/74/80/89/446748089.db2.gz ZYZQXRLHLGVLQP-YMTOWFKASA-N -1 1 329.312 1.990 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000376983414 446838604 /nfs/dbraw/zinc/83/86/04/446838604.db2.gz TXXJQBOHWBTKRL-VIFPVBQESA-N -1 1 332.320 1.136 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000525702158 448014727 /nfs/dbraw/zinc/01/47/27/448014727.db2.gz MYJUDTNMOIRVGG-IEBDPFPHSA-N -1 1 327.362 1.082 20 5 EDBDMM COc1c(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cccc1[N+](=O)[O-] ZINC000527000929 448135385 /nfs/dbraw/zinc/13/53/85/448135385.db2.gz QVZQXRUJCZKMQR-SECBINFHSA-N -1 1 332.320 1.136 20 5 EDBDMM COc1cccc2c1CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC2 ZINC000591084353 448257746 /nfs/dbraw/zinc/25/77/46/448257746.db2.gz KITAZCQHJUXOCR-UHFFFAOYSA-N -1 1 329.312 1.903 20 5 EDBDMM COC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572609522 448422093 /nfs/dbraw/zinc/42/20/93/448422093.db2.gz SFLAEFXHGLDBBG-INIZCTEOSA-N -1 1 348.359 1.784 20 5 EDBDMM COC[C@]1(C(=O)[O-])CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572609522 448422099 /nfs/dbraw/zinc/42/20/99/448422099.db2.gz SFLAEFXHGLDBBG-INIZCTEOSA-N -1 1 348.359 1.784 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(Cc2ccsc2)CC1 ZINC000573407324 448617655 /nfs/dbraw/zinc/61/76/55/448617655.db2.gz BPTOGTWZLKTRIC-UHFFFAOYSA-N -1 1 348.384 1.715 20 5 EDBDMM COc1ccccc1[C@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000518300579 448662629 /nfs/dbraw/zinc/66/26/29/448662629.db2.gz BQOOSACRJUQDDF-NSHDSACASA-N -1 1 333.300 1.167 20 5 EDBDMM O=C(N[C@H]1CC[C@@](O)(C(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000590764901 449284496 /nfs/dbraw/zinc/28/44/96/449284496.db2.gz VGLXIJXGINEBLV-KGFZYKRKSA-N -1 1 335.238 1.271 20 5 EDBDMM CC1(N2CCOCC2)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000600408995 449360604 /nfs/dbraw/zinc/36/06/04/449360604.db2.gz GDGMVCFLCKOLGO-UHFFFAOYSA-N -1 1 349.387 1.627 20 5 EDBDMM CC(C)(C)N1C[C@@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1=O ZINC000598380691 449372129 /nfs/dbraw/zinc/37/21/29/449372129.db2.gz FFLVGDXLIXPQJQ-SECBINFHSA-N -1 1 336.348 1.072 20 5 EDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598562697 449467141 /nfs/dbraw/zinc/46/71/41/449467141.db2.gz DIMMILXWRWSPHJ-UHLUBPPHSA-N -1 1 331.275 1.580 20 5 EDBDMM COc1ccc([C@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1 ZINC000599224829 449813410 /nfs/dbraw/zinc/81/34/10/449813410.db2.gz NRRLEZDZFREGQZ-VIFPVBQESA-N -1 1 340.361 1.376 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595252204 449978052 /nfs/dbraw/zinc/97/80/52/449978052.db2.gz UWZJWYWXLFLXSL-IAQYHMDHSA-N -1 1 332.316 1.844 20 5 EDBDMM COc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)on1 ZINC000595346279 450060039 /nfs/dbraw/zinc/06/00/39/450060039.db2.gz UAJPAICHBGCKBJ-UHFFFAOYSA-N -1 1 343.317 1.079 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000595376359 450090028 /nfs/dbraw/zinc/09/00/28/450090028.db2.gz JUYTZQPVPJIJKU-GFCCVEGCSA-N -1 1 343.405 1.863 20 5 EDBDMM C[C@@H](Cc1ccsc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610261518 450172868 /nfs/dbraw/zinc/17/28/68/450172868.db2.gz VPRJMADVWORSHW-VIFPVBQESA-N -1 1 327.387 1.961 20 5 EDBDMM O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000166413005 534703912 /nfs/dbraw/zinc/70/39/12/534703912.db2.gz CULXBNDHPRIXEZ-UHFFFAOYSA-N -1 1 344.331 1.429 20 5 EDBDMM CCO[C@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352983962 535642219 /nfs/dbraw/zinc/64/22/19/535642219.db2.gz PFHKSAYCVHODHH-IUCAKERBSA-N -1 1 336.391 1.129 20 5 EDBDMM C[C@@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])CC1(C)OCCO1 ZINC000742301838 579447543 /nfs/dbraw/zinc/44/75/43/579447543.db2.gz NZOHHBGOSXTBPH-SNVBAGLBSA-N -1 1 345.377 1.057 20 5 EDBDMM C[C@@H](CN(Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1)C(=O)[O-] ZINC000736583507 579002916 /nfs/dbraw/zinc/00/29/16/579002916.db2.gz SQBYHHYFIMPNEE-NSHDSACASA-N -1 1 345.359 1.996 20 5 EDBDMM Cc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000738249732 579177688 /nfs/dbraw/zinc/17/76/88/579177688.db2.gz ZZRIPUZBLWPEAX-JTQLQIEISA-N -1 1 346.343 1.989 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739376831 579198042 /nfs/dbraw/zinc/19/80/42/579198042.db2.gz YQCTWCJHPJPDOZ-SECBINFHSA-N -1 1 339.352 1.390 20 5 EDBDMM O=C(O[C@@H]1CCN(CC(F)(F)F)C1=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780075454 580511540 /nfs/dbraw/zinc/51/15/40/580511540.db2.gz OOSZKXXMMDJIRX-SNVBAGLBSA-N -1 1 348.233 1.620 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCc2ccccc2OC1 ZINC000800952940 581062989 /nfs/dbraw/zinc/06/29/89/581062989.db2.gz QXSFZYFFINQPCS-LBPRGKRZSA-N -1 1 349.368 1.662 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCS[C@H](C(F)(F)F)C1 ZINC000900559108 592059482 /nfs/dbraw/zinc/05/94/82/592059482.db2.gz YGHBPCDTLHKARR-QMMMGPOBSA-N -1 1 337.279 1.815 20 5 EDBDMM C[C@H](OC(=O)c1cn[n-]n1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC000805609074 593113056 /nfs/dbraw/zinc/11/30/56/593113056.db2.gz MMLZNDDKLDMTRX-LURJTMIESA-N -1 1 339.695 1.550 20 5 EDBDMM Cn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809832021 593363810 /nfs/dbraw/zinc/36/38/10/593363810.db2.gz FOXWNXYJCAIJQL-UHFFFAOYSA-N -1 1 348.743 1.599 20 5 EDBDMM CCOC(=O)C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)=O ZINC000805502547 593461830 /nfs/dbraw/zinc/46/18/30/593461830.db2.gz JUZRLBWKFDDICO-LBPRGKRZSA-N -1 1 325.273 1.368 20 5 EDBDMM Cc1cc(=O)n2[n-]c(NC(=O)/C=C\c3ccc([N+](=O)[O-])cc3)nc2n1 ZINC000813378897 593530315 /nfs/dbraw/zinc/53/03/15/593530315.db2.gz USFOVKPVEVVFDI-DAXSKMNVSA-N -1 1 340.299 1.286 20 5 EDBDMM CN(C[C@@](C)(O)c1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000819717706 593764798 /nfs/dbraw/zinc/76/47/98/593764798.db2.gz WMZTUMRLBJFQPA-MRXNPFEDSA-N -1 1 331.328 1.675 20 5 EDBDMM CC(C)(C)c1nc(Sc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n[nH]1 ZINC000819971714 593780178 /nfs/dbraw/zinc/78/01/78/593780178.db2.gz RPIFMCHRGHZMDR-UHFFFAOYSA-N -1 1 347.364 1.737 20 5 EDBDMM CC(C)(C)c1nc(Sc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n[nH]1 ZINC000819971714 593780179 /nfs/dbraw/zinc/78/01/79/593780179.db2.gz RPIFMCHRGHZMDR-UHFFFAOYSA-N -1 1 347.364 1.737 20 5 EDBDMM CN(CC(=O)NC(C)(C)C)c1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000821592780 593873072 /nfs/dbraw/zinc/87/30/72/593873072.db2.gz VBPUWDKRJKWUEH-UHFFFAOYSA-N -1 1 333.352 1.126 20 5 EDBDMM CO[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])C(F)(F)F ZINC000821677684 593908102 /nfs/dbraw/zinc/90/81/02/593908102.db2.gz BZFJHYKUBBMRRP-ZCFIWIBFSA-N -1 1 333.230 1.159 20 5 EDBDMM CO[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])C(F)(F)F ZINC000821677684 593908104 /nfs/dbraw/zinc/90/81/04/593908104.db2.gz BZFJHYKUBBMRRP-ZCFIWIBFSA-N -1 1 333.230 1.159 20 5 EDBDMM CC(C)(C)CNS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824093448 593927802 /nfs/dbraw/zinc/92/78/02/593927802.db2.gz ILXNHVFHDGROBS-UHFFFAOYSA-N -1 1 340.365 1.099 20 5 EDBDMM CC(C)[C@@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824193217 593951770 /nfs/dbraw/zinc/95/17/70/593951770.db2.gz VFRSTKLPQPDBIN-MRVPVSSYSA-N -1 1 340.365 1.098 20 5 EDBDMM COc1cccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])n1 ZINC000821867702 593957503 /nfs/dbraw/zinc/95/75/03/593957503.db2.gz KCBITPJDUWEFQQ-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1cccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])n1 ZINC000821867702 593957504 /nfs/dbraw/zinc/95/75/04/593957504.db2.gz KCBITPJDUWEFQQ-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM CC(C)N1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1=O ZINC000824295839 593978410 /nfs/dbraw/zinc/97/84/10/593978410.db2.gz ANRNWOHRIUYCIQ-JTQLQIEISA-N -1 1 331.336 1.196 20 5 EDBDMM CC(C)N1C[C@@H](Nc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1=O ZINC000824295839 593978412 /nfs/dbraw/zinc/97/84/12/593978412.db2.gz ANRNWOHRIUYCIQ-JTQLQIEISA-N -1 1 331.336 1.196 20 5 EDBDMM O=[N+]([O-])c1cc(N2CCN(CC(F)F)CC2)ccc1-c1nn[n-]n1 ZINC000823635486 594223582 /nfs/dbraw/zinc/22/35/82/594223582.db2.gz XUKSHEVVSZPHOI-UHFFFAOYSA-N -1 1 339.306 1.162 20 5 EDBDMM C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C(=O)[O-] ZINC000828462282 594427108 /nfs/dbraw/zinc/42/71/08/594427108.db2.gz IVRRIHZUELDVFK-SKDRFNHKSA-N -1 1 332.316 1.797 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](C)O ZINC000832310298 594742017 /nfs/dbraw/zinc/74/20/17/594742017.db2.gz QUYDOGNBXDHSHW-IMTBSYHQSA-N -1 1 340.760 1.825 20 5 EDBDMM Cc1cccnc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000104753317 595085617 /nfs/dbraw/zinc/08/56/17/595085617.db2.gz ZORUMYMGQCNQQK-UHFFFAOYSA-N -1 1 325.321 1.916 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCC1SCCS1 ZINC000851845555 595945053 /nfs/dbraw/zinc/94/50/53/595945053.db2.gz QASZDUFUSGGXCX-UHFFFAOYSA-N -1 1 335.432 1.464 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H](O)c1ccccc1 ZINC000120818505 596730722 /nfs/dbraw/zinc/73/07/22/596730722.db2.gz FJCKHQOLQSKWCS-LBPRGKRZSA-N -1 1 340.332 1.746 20 5 EDBDMM CO[C@H]1C[C@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000882590893 598000079 /nfs/dbraw/zinc/00/00/79/598000079.db2.gz WQHHZQLXPPDASZ-KYZUINATSA-N -1 1 334.781 1.952 20 5 EDBDMM C[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739183966 602777638 /nfs/dbraw/zinc/77/76/38/602777638.db2.gz IERCUUJDVIPWKM-BXKDBHETSA-N -1 1 336.348 1.172 20 5 EDBDMM O=C(c1ncccc1[O-])N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685363 231005842 /nfs/dbraw/zinc/00/58/42/231005842.db2.gz USDMQMRTBPGYAQ-JTQLQIEISA-N -1 1 329.316 1.417 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000562545176 306301992 /nfs/dbraw/zinc/30/19/92/306301992.db2.gz RLMXEKIANVHNNX-SNVBAGLBSA-N -1 1 349.265 1.471 20 5 EDBDMM CO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000563527946 306337124 /nfs/dbraw/zinc/33/71/24/306337124.db2.gz GGZVFYZGNIUHQV-GHMZBOCLSA-N -1 1 327.362 1.226 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCSCCCO ZINC000228555088 139023152 /nfs/dbraw/zinc/02/31/52/139023152.db2.gz PUQSBCQEZKTECY-UHFFFAOYSA-N -1 1 338.382 1.128 20 5 EDBDMM O=C([O-])c1ccc(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)o1 ZINC000238129486 139069341 /nfs/dbraw/zinc/06/93/41/139069341.db2.gz KVJWVDYVBWPJDQ-UHFFFAOYSA-N -1 1 330.256 1.692 20 5 EDBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@H](C)C[C@@H](C(=O)[O-])C1 ZINC000263371344 139338435 /nfs/dbraw/zinc/33/84/35/139338435.db2.gz VLTVMMOWIINKEX-IJLUTSLNSA-N -1 1 335.360 1.964 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCn1ccnc1 ZINC000119506450 221335189 /nfs/dbraw/zinc/33/51/89/221335189.db2.gz TYZUYPUOLSFXTQ-UHFFFAOYSA-N -1 1 330.753 1.423 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2csc(C)n2)c([N+](=O)[O-])n1 ZINC000339043537 141947153 /nfs/dbraw/zinc/94/71/53/141947153.db2.gz OVHOSIORSLTIOE-SSDOTTSWSA-N -1 1 345.406 1.616 20 5 EDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H](CO)CC(F)(F)F ZINC000339783657 142155164 /nfs/dbraw/zinc/15/51/64/142155164.db2.gz MIFVDYYFDVADGU-SSDOTTSWSA-N -1 1 328.268 1.186 20 5 EDBDMM O=C([O-])[C@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1F ZINC000367779228 154267800 /nfs/dbraw/zinc/26/78/00/154267800.db2.gz MVRMDSSWWLDUET-HNCHTBHHSA-N -1 1 340.282 1.257 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2nccs2)c([N+](=O)[O-])n1 ZINC000352132812 162001672 /nfs/dbraw/zinc/00/16/72/162001672.db2.gz AASPRANVOCUSSA-QMMMGPOBSA-N -1 1 345.406 1.350 20 5 EDBDMM O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274935675 268243647 /nfs/dbraw/zinc/24/36/47/268243647.db2.gz DDFIBRPFRBCAHR-NSHDSACASA-N -1 1 330.300 1.603 20 5 EDBDMM C[C@@H](CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289055251 288620920 /nfs/dbraw/zinc/62/09/20/288620920.db2.gz FUJZTNJLNGVFHJ-ZCFIWIBFSA-N -1 1 343.188 1.808 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000292732382 289424369 /nfs/dbraw/zinc/42/43/69/289424369.db2.gz ZKXRANZWNTVZKD-QWHCGFSZSA-N -1 1 333.344 1.869 20 5 EDBDMM CN(C)C(=O)C1(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000296751913 303336126 /nfs/dbraw/zinc/33/61/26/303336126.db2.gz CDROVUQYOBREOZ-UHFFFAOYSA-N -1 1 336.348 1.216 20 5 EDBDMM NC(=O)c1n[nH]c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])cc21 ZINC000436580711 305161185 /nfs/dbraw/zinc/16/11/85/305161185.db2.gz HKQAEIHYONEXMT-UHFFFAOYSA-N -1 1 341.283 1.528 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCc1cccs1 ZINC000537657951 306028498 /nfs/dbraw/zinc/02/84/98/306028498.db2.gz YXVSOUVNZMQCPO-UHFFFAOYSA-N -1 1 327.387 1.962 20 5 EDBDMM O=C(COc1ccccc1[N+](=O)[O-])NCc1n[n-]c(=S)n1C1CC1 ZINC000066638356 441556108 /nfs/dbraw/zinc/55/61/08/441556108.db2.gz DXIPWLGDMMXLRR-UHFFFAOYSA-N -1 1 349.372 1.879 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000176214202 442192483 /nfs/dbraw/zinc/19/24/83/442192483.db2.gz WUJJHUVIPDGKBY-LBPRGKRZSA-N -1 1 335.360 1.095 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000129256231 442308603 /nfs/dbraw/zinc/30/86/03/442308603.db2.gz BXVOFVZTKRQRBL-YUSALJHKSA-N -1 1 344.364 1.970 20 5 EDBDMM COC(C)(C)CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000414373530 319324475 /nfs/dbraw/zinc/32/44/75/319324475.db2.gz MOQGPWLQUMIYCY-UHFFFAOYSA-N -1 1 332.334 1.460 20 5 EDBDMM CCN(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000185989572 443294577 /nfs/dbraw/zinc/29/45/77/443294577.db2.gz HAUFMWHSXKOFOD-UHFFFAOYSA-N -1 1 335.769 1.005 20 5 EDBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(C(=O)OC)ccc2F)n1 ZINC000191493078 443302361 /nfs/dbraw/zinc/30/23/61/443302361.db2.gz NHCMFEUSBYGMKV-UHFFFAOYSA-N -1 1 336.279 1.989 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ncc(C)s2)c([N+](=O)[O-])n1 ZINC000533177924 320685235 /nfs/dbraw/zinc/68/52/35/320685235.db2.gz MPJZCGWFBZMRDU-UHFFFAOYSA-N -1 1 331.379 1.055 20 5 EDBDMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000276915307 443872978 /nfs/dbraw/zinc/87/29/78/443872978.db2.gz XSXKZLYVXZHGMV-JTQLQIEISA-N -1 1 336.797 1.934 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@H](C)[C@H](OC)C2(C)C)c([N+](=O)[O-])n1 ZINC000331739968 444485872 /nfs/dbraw/zinc/48/58/72/444485872.db2.gz ACSKJDNAWPTCRM-GDPRMGEGSA-N -1 1 346.409 1.149 20 5 EDBDMM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000342779354 444863323 /nfs/dbraw/zinc/86/33/23/444863323.db2.gz CLDBZFBZEAJXDX-UHFFFAOYSA-N -1 1 338.297 1.799 20 5 EDBDMM Cc1nn(Cc2ccc(C(=O)Nc3nnn[n-]3)cc2)c(C)c1[N+](=O)[O-] ZINC000342853008 444893736 /nfs/dbraw/zinc/89/37/36/444893736.db2.gz RQEIYFQDQCQNBT-UHFFFAOYSA-N -1 1 342.319 1.222 20 5 EDBDMM Cc1nn(Cc2ccc(C(=O)Nc3nn[n-]n3)cc2)c(C)c1[N+](=O)[O-] ZINC000342853008 444893741 /nfs/dbraw/zinc/89/37/41/444893741.db2.gz RQEIYFQDQCQNBT-UHFFFAOYSA-N -1 1 342.319 1.222 20 5 EDBDMM Cc1ccncc1N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000337316439 445029791 /nfs/dbraw/zinc/02/97/91/445029791.db2.gz YJVDEQJUCUWDIL-UHFFFAOYSA-N -1 1 343.343 1.361 20 5 EDBDMM CCCC(O)(CCC)C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-] ZINC000339047506 445007760 /nfs/dbraw/zinc/00/77/60/445007760.db2.gz DNZFHLKHPAHYIL-UHFFFAOYSA-N -1 1 348.425 1.421 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCC[C@@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000354723088 445351471 /nfs/dbraw/zinc/35/14/71/445351471.db2.gz XEZJRYPYVJYCCZ-NSHDSACASA-N -1 1 346.409 1.439 20 5 EDBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]1OC ZINC000356222862 445683985 /nfs/dbraw/zinc/68/39/85/445683985.db2.gz PPRKZGAGUVQLDC-VAOFZXAKSA-N -1 1 336.391 1.127 20 5 EDBDMM CO[C@](C)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000452768459 446465161 /nfs/dbraw/zinc/46/51/61/446465161.db2.gz JBFSHMHREJRDEH-MRXNPFEDSA-N -1 1 331.328 1.987 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCOCC2CCCC2)c([N+](=O)[O-])n1 ZINC000416500294 447627437 /nfs/dbraw/zinc/62/74/37/447627437.db2.gz BZFLISBKUSTZNJ-UHFFFAOYSA-N -1 1 346.409 1.296 20 5 EDBDMM COC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451835397 447758546 /nfs/dbraw/zinc/75/85/46/447758546.db2.gz FORIVKBURRYWRD-BDAKNGLRSA-N -1 1 348.402 1.666 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1COc2ccccc2C1 ZINC000525699798 448013665 /nfs/dbraw/zinc/01/36/65/448013665.db2.gz SNUVOTYUIKPRPP-LLVKDONJSA-N -1 1 335.341 1.272 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000576631103 448099813 /nfs/dbraw/zinc/09/98/13/448099813.db2.gz SDANZTMWVJEQTP-UHFFFAOYSA-N -1 1 337.313 1.197 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000532711559 448300856 /nfs/dbraw/zinc/30/08/56/448300856.db2.gz GOIYRQRVNGWOBR-SWLSCSKDSA-N -1 1 347.371 1.887 20 5 EDBDMM CC(C)(NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nn[nH]n1 ZINC000566270038 448432967 /nfs/dbraw/zinc/43/29/67/448432967.db2.gz JWFBOQRCVNNTJR-UHFFFAOYSA-N -1 1 326.700 1.132 20 5 EDBDMM C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518532964 448689781 /nfs/dbraw/zinc/68/97/81/448689781.db2.gz HJVYVMCCQOFAOK-SUNKGSAMSA-N -1 1 335.360 1.964 20 5 EDBDMM C[C@@H](O)CN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000519622994 448802170 /nfs/dbraw/zinc/80/21/70/448802170.db2.gz FWGFXDZVSLPSPO-LLVKDONJSA-N -1 1 331.328 1.719 20 5 EDBDMM CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)Nc1c(C)[n-][nH]c1=O ZINC000590398592 449146106 /nfs/dbraw/zinc/14/61/06/449146106.db2.gz QULMKNMKGXJKDQ-MRVPVSSYSA-N -1 1 337.340 1.203 20 5 EDBDMM COCc1nc(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000598049934 449216037 /nfs/dbraw/zinc/21/60/37/449216037.db2.gz KCMCSKTUPUYLNB-UHFFFAOYSA-N -1 1 341.711 1.148 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1ccn(-c2ccccc2[N+](=O)[O-])n1 ZINC000590565384 449193459 /nfs/dbraw/zinc/19/34/59/449193459.db2.gz MKOCTEGTZNWQSF-UHFFFAOYSA-N -1 1 328.288 1.770 20 5 EDBDMM Cc1cc(N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c2cc([N+](=O)[O-])ccc2n1 ZINC000595971918 449291525 /nfs/dbraw/zinc/29/15/25/449291525.db2.gz IFLIDJOVZGTJOJ-PIGZYNQJSA-N -1 1 343.339 1.989 20 5 EDBDMM O=C([O-])[C@@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000596001803 449308956 /nfs/dbraw/zinc/30/89/56/449308956.db2.gz GPEQTBGXLUCDOA-NSHDSACASA-N -1 1 332.316 1.702 20 5 EDBDMM C[C@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@](C)(C(F)F)O1 ZINC000598562687 449467480 /nfs/dbraw/zinc/46/74/80/449467480.db2.gz DIMMILXWRWSPHJ-CPFSXVBKSA-N -1 1 331.275 1.580 20 5 EDBDMM C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@@H]1C(=O)[O-] ZINC000600799753 449551367 /nfs/dbraw/zinc/55/13/67/449551367.db2.gz GBKUKAKJDMBEAF-PWSUYJOCSA-N -1 1 336.344 1.909 20 5 EDBDMM O=C(NC[C@@H]1CCCO[C@H]1c1cn[nH]c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000600838553 449572311 /nfs/dbraw/zinc/57/23/11/449572311.db2.gz CTMUICIFEXPYGM-TVQRCGJNSA-N -1 1 347.331 1.316 20 5 EDBDMM Cc1cccc2c1CC[C@@H]2[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599231985 449818319 /nfs/dbraw/zinc/81/83/19/449818319.db2.gz GHIYMDQJOKTERL-LBPRGKRZSA-N -1 1 336.373 1.603 20 5 EDBDMM O=C(NCc1n[nH]cc1Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609477972 450034233 /nfs/dbraw/zinc/03/42/33/450034233.db2.gz VOJXXLBMMYRJIX-UHFFFAOYSA-N -1 1 342.109 1.111 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000247005258 535075919 /nfs/dbraw/zinc/07/59/19/535075919.db2.gz QDSYYFLUKWIUDU-ZEGGKSINSA-N -1 1 344.364 1.826 20 5 EDBDMM CC(C)N1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1=O ZINC000263649307 535266447 /nfs/dbraw/zinc/26/64/47/535266447.db2.gz GIPNELBNWGEGFG-SECBINFHSA-N -1 1 345.352 1.022 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1C[C@H](C)O ZINC000253028516 535841967 /nfs/dbraw/zinc/84/19/67/535841967.db2.gz HWQQQPVFEVRTTC-WCQYABFASA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@H]1C[C@H](N(C)C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC[N@H+]1C ZINC000736758212 579018035 /nfs/dbraw/zinc/01/80/35/579018035.db2.gz BZBWJYCFGOLORS-GXFFZTMASA-N -1 1 335.360 1.848 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739538695 579216331 /nfs/dbraw/zinc/21/63/31/579216331.db2.gz GHANMCIYLQVHTP-MRVPVSSYSA-N -1 1 325.325 1.000 20 5 EDBDMM CC(=O)c1ccc([O-])c(CCOC(=O)c2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000744855752 579527113 /nfs/dbraw/zinc/52/71/13/579527113.db2.gz LFWGJEACTVIKRV-UHFFFAOYSA-N -1 1 347.327 1.944 20 5 EDBDMM Cc1n[n-]cc1S(=O)(=O)Oc1cc(N(C)C)ccc1[N+](=O)[O-] ZINC000748653810 579696482 /nfs/dbraw/zinc/69/64/82/579696482.db2.gz SBDLHGLKGNYYRA-UHFFFAOYSA-N -1 1 326.334 1.460 20 5 EDBDMM CC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000748659948 579696709 /nfs/dbraw/zinc/69/67/09/579696709.db2.gz WZIRWFYOJKQIRP-ZDUSSCGKSA-N -1 1 348.352 1.744 20 5 EDBDMM CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751466540 579808663 /nfs/dbraw/zinc/80/86/63/579808663.db2.gz GXMJUYSFTPHOIW-ZJUUUORDSA-N -1 1 334.369 1.809 20 5 EDBDMM Nc1c(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000759075840 579997960 /nfs/dbraw/zinc/99/79/60/579997960.db2.gz NVISXLGVIJZJNF-ZDUSSCGKSA-N -1 1 339.315 1.210 20 5 EDBDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)c[nH]1 ZINC000763085400 580092472 /nfs/dbraw/zinc/09/24/72/580092472.db2.gz IFBBNPGLQAFKKT-UHFFFAOYSA-N -1 1 343.292 1.649 20 5 EDBDMM Cc1nonc1C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000766509416 580168742 /nfs/dbraw/zinc/16/87/42/580168742.db2.gz JZSUDHUMIPGOOT-UHFFFAOYSA-N -1 1 349.328 1.313 20 5 EDBDMM CC1([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)OCCO1 ZINC000790074225 580761642 /nfs/dbraw/zinc/76/16/42/580761642.db2.gz BYRDIWBDQFJRHM-NSHDSACASA-N -1 1 337.332 1.311 20 5 EDBDMM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])[C@H]1CN(C)CCN1C ZINC000910361829 592844070 /nfs/dbraw/zinc/84/40/70/592844070.db2.gz AKSGCUAOUHGGSM-NJOUQJEPSA-N -1 1 348.403 1.739 20 5 EDBDMM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738236296 593111076 /nfs/dbraw/zinc/11/10/76/593111076.db2.gz IQGQPBORLPOQOX-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=C(OCc1c(F)cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738236296 593111078 /nfs/dbraw/zinc/11/10/78/593111078.db2.gz IQGQPBORLPOQOX-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM CC[C@H](CCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809820207 593362032 /nfs/dbraw/zinc/36/20/32/593362032.db2.gz QBAHYPLCUHNLDH-SSDOTTSWSA-N -1 1 340.760 1.827 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)C(C)(C)O ZINC000809819420 593362040 /nfs/dbraw/zinc/36/20/40/593362040.db2.gz TVCFFBZTLLXPDU-ZCFIWIBFSA-N -1 1 340.760 1.825 20 5 EDBDMM CCOC(=O)C[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(C)=O ZINC000805502546 593461890 /nfs/dbraw/zinc/46/18/90/593461890.db2.gz JUZRLBWKFDDICO-GFCCVEGCSA-N -1 1 325.273 1.368 20 5 EDBDMM CC1(C)C[C@@](C)([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C(=O)O1 ZINC000820733851 593875266 /nfs/dbraw/zinc/87/52/66/593875266.db2.gz AFMSTFVZHNAIMZ-CYBMUJFWSA-N -1 1 346.336 1.496 20 5 EDBDMM COC(=O)C1CCC(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000821654901 593898429 /nfs/dbraw/zinc/89/84/29/593898429.db2.gz ADTZHGUEIUWIBW-UHFFFAOYSA-N -1 1 347.335 1.314 20 5 EDBDMM COC(=O)C1CCC(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000821654901 593898432 /nfs/dbraw/zinc/89/84/32/593898432.db2.gz ADTZHGUEIUWIBW-UHFFFAOYSA-N -1 1 347.335 1.314 20 5 EDBDMM CC[C@H](C)N(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825067482 594125063 /nfs/dbraw/zinc/12/50/63/594125063.db2.gz KOYUQCPSBPFYIE-QMMMGPOBSA-N -1 1 340.365 1.194 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](CO)Cc1ccco1 ZINC000823620969 594222182 /nfs/dbraw/zinc/22/21/82/594222182.db2.gz UXXUXFLSYLWTLS-VIFPVBQESA-N -1 1 345.319 1.026 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](CO)Cc1ccco1 ZINC000823620969 594222183 /nfs/dbraw/zinc/22/21/83/594222183.db2.gz UXXUXFLSYLWTLS-VIFPVBQESA-N -1 1 345.319 1.026 20 5 EDBDMM O=c1c(-c2nn[n-]n2)cccn1CCOc1cccc([N+](=O)[O-])c1 ZINC000826501563 594504397 /nfs/dbraw/zinc/50/43/97/594504397.db2.gz VZEJBSHCRGIBQS-UHFFFAOYSA-N -1 1 328.288 1.016 20 5 EDBDMM CN(CCN1CC2(C1)CCOCC2)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000829247595 594587266 /nfs/dbraw/zinc/58/72/66/594587266.db2.gz OITJOPFFOFSFFR-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000827355591 594664045 /nfs/dbraw/zinc/66/40/45/594664045.db2.gz KQMZKOTWQMLDIB-LVDDQXARSA-N -1 1 347.371 1.615 20 5 EDBDMM O=C([O-])C[C@@H]1CSCCN1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000846273687 595193565 /nfs/dbraw/zinc/19/35/65/595193565.db2.gz BZFFUIKGYBQQBX-OLZOCXBDSA-N -1 1 326.374 1.520 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC23CCOCC3)cc1F ZINC000867355383 595335584 /nfs/dbraw/zinc/33/55/84/595335584.db2.gz WFCZVJQQMUGGQX-ZDUSSCGKSA-N -1 1 344.364 1.890 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@H]1CCOC1 ZINC000849414105 595523404 /nfs/dbraw/zinc/52/34/04/595523404.db2.gz AAHSMCMGQUTBDG-ONGXEEELSA-N -1 1 348.352 1.064 20 5 EDBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]N=c2nccc[nH]2)c1F ZINC000120786070 596705109 /nfs/dbraw/zinc/70/51/09/596705109.db2.gz XJXDADCKWFANKI-UHFFFAOYSA-N -1 1 327.297 1.138 20 5 EDBDMM O=C(c1cncc([O-])c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173685227 231005219 /nfs/dbraw/zinc/00/52/19/231005219.db2.gz TVBMNIXSQJATDN-NSHDSACASA-N -1 1 329.316 1.417 20 5 EDBDMM Cc1ncc2c(n1)CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C2 ZINC000373106953 282173105 /nfs/dbraw/zinc/17/31/05/282173105.db2.gz ODMRTPQECSYJKG-NSHDSACASA-N -1 1 329.316 1.081 20 5 EDBDMM Cn1cc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000101572668 219140420 /nfs/dbraw/zinc/14/04/20/219140420.db2.gz PZPAAEMOWJIBNH-UHFFFAOYSA-N -1 1 344.780 1.503 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000248489926 139165995 /nfs/dbraw/zinc/16/59/95/139165995.db2.gz HTQVNNIQEOWGRH-WCQYABFASA-N -1 1 337.376 1.218 20 5 EDBDMM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262963944 139315719 /nfs/dbraw/zinc/31/57/19/139315719.db2.gz MEMDLQGDBALRCR-QMMMGPOBSA-N -1 1 346.221 1.607 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000332412194 141177765 /nfs/dbraw/zinc/17/77/65/141177765.db2.gz RXJPLQRPOJOPNE-NSHDSACASA-N -1 1 332.316 1.632 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000345534996 143102858 /nfs/dbraw/zinc/10/28/58/143102858.db2.gz GPFBIRFZTINJBI-UHFFFAOYSA-N -1 1 334.737 1.232 20 5 EDBDMM O=C(NCc1ccc(OCC2CC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000355111461 150122021 /nfs/dbraw/zinc/12/20/21/150122021.db2.gz RDYJVEQCODZZJO-UHFFFAOYSA-N -1 1 344.327 1.809 20 5 EDBDMM O=C(NCc1nccn1-c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000357421265 151026940 /nfs/dbraw/zinc/02/69/40/151026940.db2.gz KRUHJJQAWAHDST-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM O=C(Cn1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1)NC1CCCC1 ZINC000352443621 162184801 /nfs/dbraw/zinc/18/48/01/162184801.db2.gz OEBUSRWCGKKPFE-UHFFFAOYSA-N -1 1 346.347 1.431 20 5 EDBDMM CCc1cnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000274662851 268178720 /nfs/dbraw/zinc/17/87/20/268178720.db2.gz GSVQIPNGMIHUPH-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM C[C@@H](CCCC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274980658 268255135 /nfs/dbraw/zinc/25/51/35/268255135.db2.gz LMJMDEYEUOLGTQ-QMMMGPOBSA-N -1 1 334.325 1.656 20 5 EDBDMM CN(C)C(=O)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000275182844 268292151 /nfs/dbraw/zinc/29/21/51/268292151.db2.gz YHQRAIGTHPWERM-UHFFFAOYSA-N -1 1 336.348 1.074 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc([C@H]3CN4CCC[C@H]4CO3)no2)cc1[O-] ZINC000277765379 273225031 /nfs/dbraw/zinc/22/50/31/273225031.db2.gz DHSBJTKTJOWLOR-GXFFZTMASA-N -1 1 332.316 1.886 20 5 EDBDMM CC[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000296939825 303348952 /nfs/dbraw/zinc/34/89/52/303348952.db2.gz GPEVTVFXFKXTDU-LURJTMIESA-N -1 1 343.188 1.951 20 5 EDBDMM CCNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000432278360 305090205 /nfs/dbraw/zinc/09/02/05/305090205.db2.gz AEECABYWWHXBSV-JTQLQIEISA-N -1 1 335.407 1.095 20 5 EDBDMM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000451733784 305365699 /nfs/dbraw/zinc/36/56/99/305365699.db2.gz KBAMQRLYQGTVSC-NSHDSACASA-N -1 1 349.434 1.438 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000452596270 305401669 /nfs/dbraw/zinc/40/16/69/305401669.db2.gz SCNXPLPIFRPMBS-BZPMIXESSA-N -1 1 335.360 1.851 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCCOC1 ZINC000146932201 441902210 /nfs/dbraw/zinc/90/22/10/441902210.db2.gz FOUSHXIYYLPNML-SECBINFHSA-N -1 1 334.781 1.953 20 5 EDBDMM Cc1c(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cnn1C ZINC000152614431 442231000 /nfs/dbraw/zinc/23/10/00/442231000.db2.gz BDYCFBBGKKNNQP-UHFFFAOYSA-N -1 1 344.780 1.769 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])on1 ZINC000178315629 442423787 /nfs/dbraw/zinc/42/37/87/442423787.db2.gz GTQBBTSZKDRKKW-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2[N+](=O)[O-])co1 ZINC000179310845 442618432 /nfs/dbraw/zinc/61/84/32/442618432.db2.gz QWFGKWVEMKZALH-UHFFFAOYSA-N -1 1 339.329 1.026 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)OC ZINC000267913061 442785061 /nfs/dbraw/zinc/78/50/61/442785061.db2.gz ORVZBOYMXJVZFN-MRVPVSSYSA-N -1 1 336.753 1.478 20 5 EDBDMM O=c1ccn(Cc2nc(-c3ccc([O-])c(F)c3)no2)cc1[N+](=O)[O-] ZINC000350842425 319073949 /nfs/dbraw/zinc/07/39/49/319073949.db2.gz YWMDUAIYEWERQL-UHFFFAOYSA-N -1 1 332.247 1.700 20 5 EDBDMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279166532 443522105 /nfs/dbraw/zinc/52/21/05/443522105.db2.gz GOVZCOMKVWFXPA-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM O=C([O-])[C@H](CC1CC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000285027664 443828150 /nfs/dbraw/zinc/82/81/50/443828150.db2.gz IHUVSYKYYOANIE-VIFPVBQESA-N -1 1 332.309 1.266 20 5 EDBDMM O=C([N-]CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000281754833 443997698 /nfs/dbraw/zinc/99/76/98/443997698.db2.gz FTTUBKYDFUWNRD-UHFFFAOYSA-N -1 1 332.282 1.885 20 5 EDBDMM CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000277827377 444046238 /nfs/dbraw/zinc/04/62/38/444046238.db2.gz YWHXUWMIVJIKAR-MWLCHTKSSA-N -1 1 336.348 1.072 20 5 EDBDMM CCO[C@@H]1C[C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000278086410 444091276 /nfs/dbraw/zinc/09/12/76/444091276.db2.gz PQHYETAOYVDLIZ-LALPHHSUSA-N -1 1 337.332 1.152 20 5 EDBDMM C[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000570803241 321358226 /nfs/dbraw/zinc/35/82/26/321358226.db2.gz LGLRMKHGYRGDLM-KCJUWKMLSA-N -1 1 332.316 1.654 20 5 EDBDMM CC(C)(O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289655477 444186865 /nfs/dbraw/zinc/18/68/65/444186865.db2.gz BEMZMOXGVNJQET-UHFFFAOYSA-N -1 1 340.760 1.827 20 5 EDBDMM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000315109812 444303881 /nfs/dbraw/zinc/30/38/81/444303881.db2.gz LBSUUSTYACMICB-GFCCVEGCSA-N -1 1 330.362 1.212 20 5 EDBDMM CC1(C)C[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000580299523 322032948 /nfs/dbraw/zinc/03/29/48/322032948.db2.gz VDBUTLYNFFEQOB-SNVBAGLBSA-N -1 1 329.378 1.473 20 5 EDBDMM CCN1CCN([C@@H]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000581729372 322214287 /nfs/dbraw/zinc/21/42/87/322214287.db2.gz UOQBKRGNUUKHDG-CQSZACIVSA-N -1 1 348.403 1.509 20 5 EDBDMM COCCNC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000341510480 444869024 /nfs/dbraw/zinc/86/90/24/444869024.db2.gz MMERJTGWIAAIGW-UHFFFAOYSA-N -1 1 332.316 1.551 20 5 EDBDMM O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339099314 445032075 /nfs/dbraw/zinc/03/20/75/445032075.db2.gz KWTBBGVZEUORFT-VIFPVBQESA-N -1 1 347.293 1.801 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000330451168 444986708 /nfs/dbraw/zinc/98/67/08/444986708.db2.gz JRTKOODPXCDEOO-SECBINFHSA-N -1 1 332.382 1.047 20 5 EDBDMM CO[C@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000345349177 445182932 /nfs/dbraw/zinc/18/29/32/445182932.db2.gz XDCBPRWGJNRUDD-SNVBAGLBSA-N -1 1 342.295 1.841 20 5 EDBDMM CC(C)Oc1cc(C(=O)NC2(c3nn[n-]n3)CC2)ccc1[N+](=O)[O-] ZINC000412268219 446917256 /nfs/dbraw/zinc/91/72/56/446917256.db2.gz IVNOTOYHPRVLQJ-UHFFFAOYSA-N -1 1 332.320 1.314 20 5 EDBDMM O=C(NCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000442704153 446938315 /nfs/dbraw/zinc/93/83/15/446938315.db2.gz CEADHZCXCIUFAJ-UHFFFAOYSA-N -1 1 344.327 1.245 20 5 EDBDMM CCOC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)n[nH]1 ZINC000570197979 447961768 /nfs/dbraw/zinc/96/17/68/447961768.db2.gz GSMPRCGJGDYWAE-UHFFFAOYSA-N -1 1 332.316 2.364 20 5 EDBDMM CC[C@H](C)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000514947371 448232180 /nfs/dbraw/zinc/23/21/80/448232180.db2.gz YGWZEWGQQQKCAY-NSHDSACASA-N -1 1 344.389 1.554 20 5 EDBDMM C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000518532962 448689883 /nfs/dbraw/zinc/68/98/83/448689883.db2.gz HJVYVMCCQOFAOK-GYSYKLTISA-N -1 1 335.360 1.964 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](CO)C2CCCCC2)c([N+](=O)[O-])n1 ZINC000611106671 449170370 /nfs/dbraw/zinc/17/03/70/449170370.db2.gz VZOOOLRQKIBIHC-NSHDSACASA-N -1 1 346.409 1.031 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2c(C)noc2C)c([N+](=O)[O-])n1 ZINC000611107094 449171028 /nfs/dbraw/zinc/17/10/28/449171028.db2.gz ABEZSIKMDZLRLA-QMMMGPOBSA-N -1 1 343.365 1.456 20 5 EDBDMM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000595885674 449232071 /nfs/dbraw/zinc/23/20/71/449232071.db2.gz RQZFOYPEMASDMY-QMTHXVAHSA-N -1 1 326.736 1.781 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCc2ccc(CO)cc2)s1 ZINC000611417099 449285060 /nfs/dbraw/zinc/28/50/60/449285060.db2.gz NIOQEUWHDDUVOM-UHFFFAOYSA-N -1 1 342.398 1.670 20 5 EDBDMM C[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000598764251 449589521 /nfs/dbraw/zinc/58/95/21/449589521.db2.gz OSZOAWUKNBVPGF-HORDHSCTSA-N -1 1 327.362 1.115 20 5 EDBDMM COCCN1CCC[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000609279178 449997730 /nfs/dbraw/zinc/99/77/30/449997730.db2.gz NCMODHHSGHLEED-JTQLQIEISA-N -1 1 349.434 1.045 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCc2ccccc21 ZINC000610263470 450173949 /nfs/dbraw/zinc/17/39/49/450173949.db2.gz QQQNVCWDGRKDKK-LBPRGKRZSA-N -1 1 333.369 1.998 20 5 EDBDMM O=C(NCCCc1nc[nH]n1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000584357727 486291070 /nfs/dbraw/zinc/29/10/70/486291070.db2.gz DYZXIQMOMPYPRJ-UHFFFAOYSA-N -1 1 325.712 1.435 20 5 EDBDMM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCO1 ZINC000420723290 517835276 /nfs/dbraw/zinc/83/52/76/517835276.db2.gz JYPOIGZPVKVGAZ-UWVGGRQHSA-N -1 1 332.382 1.047 20 5 EDBDMM CCN1CCN([C@@H]2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)C2)CC1 ZINC000160287355 529151430 /nfs/dbraw/zinc/15/14/30/529151430.db2.gz VAWZJARGLONABD-CQSZACIVSA-N -1 1 348.403 1.152 20 5 EDBDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000270544653 536153570 /nfs/dbraw/zinc/15/35/70/536153570.db2.gz CZRORFFMMHHJGA-ZETCQYMHSA-N -1 1 343.340 1.454 20 5 EDBDMM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000270544653 536153571 /nfs/dbraw/zinc/15/35/71/536153571.db2.gz CZRORFFMMHHJGA-ZETCQYMHSA-N -1 1 343.340 1.454 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@H]1COc2ccccc2C1 ZINC000741756535 579427391 /nfs/dbraw/zinc/42/73/91/579427391.db2.gz LLYLWOACFZGCTM-NSHDSACASA-N -1 1 349.368 1.519 20 5 EDBDMM CC(C)[C@@H]1C[N@@H+](C)CCN1c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735757309 578920768 /nfs/dbraw/zinc/92/07/68/578920768.db2.gz AMFSZLZXXLWTQL-AWEZNQCLSA-N -1 1 331.380 1.551 20 5 EDBDMM CCC[C@H](NC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000736431520 578988543 /nfs/dbraw/zinc/98/85/43/578988543.db2.gz KBWQZTLTEBHVBY-NSHDSACASA-N -1 1 344.335 1.115 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nnn[n-]2)n1 ZINC000737114007 579048552 /nfs/dbraw/zinc/04/85/52/579048552.db2.gz AYJLHRQNDICVMQ-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNc1cccc(-c2nn[n-]n2)n1 ZINC000737114007 579048553 /nfs/dbraw/zinc/04/85/53/579048553.db2.gz AYJLHRQNDICVMQ-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])s1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776315120 580414777 /nfs/dbraw/zinc/41/47/77/580414777.db2.gz QHXJUVFZSXDSDN-LURJTMIESA-N -1 1 326.363 1.100 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ncccc1O ZINC000795246287 580916704 /nfs/dbraw/zinc/91/67/04/580916704.db2.gz PHTFKZNYMFSRAG-UHFFFAOYSA-N -1 1 343.748 1.827 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1cccnc1F ZINC000795264593 580917057 /nfs/dbraw/zinc/91/70/57/580917057.db2.gz CZYJFQVTMLSLIC-UHFFFAOYSA-N -1 1 329.284 1.747 20 5 EDBDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)N(C)C ZINC000798841452 581010340 /nfs/dbraw/zinc/01/03/40/581010340.db2.gz KEFJKUKEZCWHNM-GFCCVEGCSA-N -1 1 347.368 1.125 20 5 EDBDMM Cc1nc([C@@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000804815252 590780248 /nfs/dbraw/zinc/78/02/48/590780248.db2.gz PTIOIGDNGSTCGH-SSDOTTSWSA-N -1 1 325.275 1.991 20 5 EDBDMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000736160646 592991666 /nfs/dbraw/zinc/99/16/66/592991666.db2.gz AZEUBRDVRLXBKV-UHFFFAOYSA-N -1 1 347.291 1.215 20 5 EDBDMM O=C(CSC1=NCCS1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000839977780 593276209 /nfs/dbraw/zinc/27/62/09/593276209.db2.gz BVDGIHBEDZGXIP-UHFFFAOYSA-N -1 1 325.371 1.687 20 5 EDBDMM COC(=O)CCCO[N-]C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F ZINC000811561170 593473763 /nfs/dbraw/zinc/47/37/63/593473763.db2.gz KADNGJDKICRAFS-VIFPVBQESA-N -1 1 328.296 1.838 20 5 EDBDMM C[C@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000820467341 593820651 /nfs/dbraw/zinc/82/06/51/593820651.db2.gz DQDYGSHJWJOGQY-ZDUSSCGKSA-N -1 1 347.360 1.551 20 5 EDBDMM C[C@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccs1 ZINC000820467341 593820652 /nfs/dbraw/zinc/82/06/52/593820652.db2.gz DQDYGSHJWJOGQY-ZDUSSCGKSA-N -1 1 347.360 1.551 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccccc1 ZINC000820467929 593820878 /nfs/dbraw/zinc/82/08/78/593820878.db2.gz PGYAHBAXAZAFAF-OAHLLOKOSA-N -1 1 341.331 1.490 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccccc1 ZINC000820467929 593820879 /nfs/dbraw/zinc/82/08/79/593820879.db2.gz PGYAHBAXAZAFAF-OAHLLOKOSA-N -1 1 341.331 1.490 20 5 EDBDMM CC1(C)C[C@](C)([N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])C(=O)O1 ZINC000820729739 593873482 /nfs/dbraw/zinc/87/34/82/593873482.db2.gz CYZIGXSNJSNXLL-AWEZNQCLSA-N -1 1 342.373 1.498 20 5 EDBDMM CN(Cc1ccccc1F)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821614503 593881035 /nfs/dbraw/zinc/88/10/35/593881035.db2.gz IXLIZHQTOOGONX-UHFFFAOYSA-N -1 1 329.295 1.945 20 5 EDBDMM CN(Cc1ccccc1F)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821614503 593881038 /nfs/dbraw/zinc/88/10/38/593881038.db2.gz IXLIZHQTOOGONX-UHFFFAOYSA-N -1 1 329.295 1.945 20 5 EDBDMM Cc1cc(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000822184342 594004611 /nfs/dbraw/zinc/00/46/11/594004611.db2.gz SDYGIEDFQZVAEQ-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1cc(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000822184342 594004613 /nfs/dbraw/zinc/00/46/13/594004613.db2.gz SDYGIEDFQZVAEQ-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(OCC2CC2)CC1 ZINC000823620715 594221946 /nfs/dbraw/zinc/22/19/46/594221946.db2.gz OUZKCDYWCKNXNM-UHFFFAOYSA-N -1 1 345.363 1.565 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(OCC2CC2)CC1 ZINC000823620715 594221947 /nfs/dbraw/zinc/22/19/47/594221947.db2.gz OUZKCDYWCKNXNM-UHFFFAOYSA-N -1 1 345.363 1.565 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]1c1ccccn1 ZINC000823620488 594221982 /nfs/dbraw/zinc/22/19/82/594221982.db2.gz LRRRZKFNQJFHIX-GFCCVEGCSA-N -1 1 338.331 1.906 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]1c1ccccn1 ZINC000823620488 594221983 /nfs/dbraw/zinc/22/19/83/594221983.db2.gz LRRRZKFNQJFHIX-GFCCVEGCSA-N -1 1 338.331 1.906 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(n2cccn2)CC1 ZINC000823621057 594222215 /nfs/dbraw/zinc/22/22/15/594222215.db2.gz WCLZPPFOIXCBCL-UHFFFAOYSA-N -1 1 341.335 1.208 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(n2cccn2)CC1 ZINC000823621057 594222216 /nfs/dbraw/zinc/22/22/16/594222216.db2.gz WCLZPPFOIXCBCL-UHFFFAOYSA-N -1 1 341.335 1.208 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823621028 594222230 /nfs/dbraw/zinc/22/22/30/594222230.db2.gz VSBLODSBVORMLY-BONVTDFDSA-N -1 1 345.363 1.301 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000823621028 594222231 /nfs/dbraw/zinc/22/22/31/594222231.db2.gz VSBLODSBVORMLY-BONVTDFDSA-N -1 1 345.363 1.301 20 5 EDBDMM O=[N+]([O-])c1cc(N[C@@H](CO)c2ccccc2)ccc1-c1nn[n-]n1 ZINC000823634978 594223570 /nfs/dbraw/zinc/22/35/70/594223570.db2.gz PCCGYLAREVCLGB-ZDUSSCGKSA-N -1 1 326.316 1.920 20 5 EDBDMM C[C@@H]1CN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C(=O)[O-] ZINC000828466019 594428060 /nfs/dbraw/zinc/42/80/60/594428060.db2.gz ZZZAVXLPGJACFL-SKDRFNHKSA-N -1 1 332.316 1.797 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCOC2)c1Cl ZINC000830935496 594517305 /nfs/dbraw/zinc/51/73/05/594517305.db2.gz FXDLOWTZJHFBGQ-LURJTMIESA-N -1 1 341.172 1.969 20 5 EDBDMM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000832410032 594748422 /nfs/dbraw/zinc/74/84/22/594748422.db2.gz FIMKRJPZAGVWIK-MRVPVSSYSA-N -1 1 330.391 1.912 20 5 EDBDMM CCn1cc([C@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000832560185 594759331 /nfs/dbraw/zinc/75/93/31/594759331.db2.gz WXYACTNLVYZCSV-VIFPVBQESA-N -1 1 342.352 1.990 20 5 EDBDMM Cc1[nH]nc(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c1[N+](=O)[O-] ZINC000832847419 594780729 /nfs/dbraw/zinc/78/07/29/594780729.db2.gz KJPGKDMLOVJQLQ-UHFFFAOYSA-N -1 1 333.304 1.138 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000841527046 594915437 /nfs/dbraw/zinc/91/54/37/594915437.db2.gz ACRMVPNDYKBGHN-LBPRGKRZSA-N -1 1 347.780 1.195 20 5 EDBDMM CCOP(=O)(CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)OCC ZINC000843919345 595216282 /nfs/dbraw/zinc/21/62/82/595216282.db2.gz SABZUICMMNFONS-UHFFFAOYSA-N -1 1 347.264 1.991 20 5 EDBDMM COC(=O)[C@@H](CCF)[N-]C(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000846423653 595226442 /nfs/dbraw/zinc/22/64/42/595226442.db2.gz CTFRECIOKBONAI-SNVBAGLBSA-N -1 1 334.250 1.704 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOc1cccnc1 ZINC000114497857 596042579 /nfs/dbraw/zinc/04/25/79/596042579.db2.gz FJQHJIMYCJPVQF-UHFFFAOYSA-N -1 1 341.320 1.486 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H]2CCCCO2)cc1F ZINC000866601891 596265838 /nfs/dbraw/zinc/26/58/38/596265838.db2.gz TZDMLLDSFFZUFV-SNVBAGLBSA-N -1 1 332.353 1.890 20 5 EDBDMM CN(C)c1ncccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119549786 596631733 /nfs/dbraw/zinc/63/17/33/596631733.db2.gz ZEZROUMBUOVQFD-UHFFFAOYSA-N -1 1 342.402 1.596 20 5 EDBDMM COc1ccc(CN2CC(C[N-]C(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000877776868 597555334 /nfs/dbraw/zinc/55/53/34/597555334.db2.gz DWGALSSQHWCTIS-UHFFFAOYSA-N -1 1 347.293 1.714 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCO1 ZINC000921677003 706557181 /nfs/dbraw/zinc/55/71/81/706557181.db2.gz YDUVZVRKLQAEEG-CYBMUJFWSA-N -1 1 332.353 1.971 20 5 EDBDMM C[C@@H](C(=O)NC1(c2nn[n-]n2)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000559374653 306254533 /nfs/dbraw/zinc/25/45/33/306254533.db2.gz KHAPPBIAHNVFNS-SNVBAGLBSA-N -1 1 330.348 1.797 20 5 EDBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C12CCC2 ZINC000563527948 306337173 /nfs/dbraw/zinc/33/71/73/306337173.db2.gz GGZVFYZGNIUHQV-QWRGUYRKSA-N -1 1 327.362 1.226 20 5 EDBDMM O=C(NCC1([C@H](O)c2ccccc2)CC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187201022 236144223 /nfs/dbraw/zinc/14/42/23/236144223.db2.gz FJUTWNPOBPSJSP-CQSZACIVSA-N -1 1 343.339 1.939 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCCN(c2nccs2)CC1 ZINC000195101302 139007028 /nfs/dbraw/zinc/00/70/28/139007028.db2.gz GYKCRLQEFRZKIE-UHFFFAOYSA-N -1 1 349.372 1.504 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153314486 224086956 /nfs/dbraw/zinc/08/69/56/224086956.db2.gz IFFDWDJVWQFRDE-SECBINFHSA-N -1 1 347.306 1.238 20 5 EDBDMM CO[C@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000345467938 143094526 /nfs/dbraw/zinc/09/45/26/143094526.db2.gz IJBYXPRYKYOXCJ-ONGXEEELSA-N -1 1 333.304 1.021 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000346576969 143218079 /nfs/dbraw/zinc/21/80/79/143218079.db2.gz KRIOLUDFJQSSSB-ZJUUUORDSA-N -1 1 332.382 1.047 20 5 EDBDMM CCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000352983957 149240351 /nfs/dbraw/zinc/24/03/51/149240351.db2.gz PFHKSAYCVHODHH-DTWKUNHWSA-N -1 1 336.391 1.129 20 5 EDBDMM C[C@H](c1ccccc1)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(N)=O ZINC000355675136 150356698 /nfs/dbraw/zinc/35/66/98/150356698.db2.gz CUOCQPRBMZKTLG-NOZJJQNGSA-N -1 1 344.327 1.083 20 5 EDBDMM O=C(N[C@H]1CCO[C@@H]1c1ccc(=O)[nH]c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000357648066 151100410 /nfs/dbraw/zinc/10/04/10/151100410.db2.gz QYNRANFJSBRENS-GXFFZTMASA-N -1 1 346.299 1.056 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000363693871 153031488 /nfs/dbraw/zinc/03/14/88/153031488.db2.gz KYVWFLCRCLLTFV-SWLSCSKDSA-N -1 1 349.387 1.531 20 5 EDBDMM Cc1ccn(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)n1 ZINC000364592734 153281280 /nfs/dbraw/zinc/28/12/80/153281280.db2.gz UBRHDZYOIZLKNM-UHFFFAOYSA-N -1 1 331.332 1.678 20 5 EDBDMM CCC(CC)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000278050833 273244100 /nfs/dbraw/zinc/24/41/00/273244100.db2.gz MCEBPSRKRDOEBD-UHFFFAOYSA-N -1 1 325.321 1.405 20 5 EDBDMM C[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281108640 273437066 /nfs/dbraw/zinc/43/70/66/273437066.db2.gz GBUPASHQIYXARE-ZCFIWIBFSA-N -1 1 326.733 1.294 20 5 EDBDMM CO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000266240912 293645722 /nfs/dbraw/zinc/64/57/22/293645722.db2.gz VZZZFBAEXDJQAL-GHMZBOCLSA-N -1 1 332.353 1.970 20 5 EDBDMM C[C@@H]1CCC[C@]1(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000294451044 303109155 /nfs/dbraw/zinc/10/91/55/303109155.db2.gz FVFRYLQDYVECMB-RNCFNFMXSA-N -1 1 332.353 1.563 20 5 EDBDMM Cc1cccnc1CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451816803 305370816 /nfs/dbraw/zinc/37/08/16/305370816.db2.gz KFZFPVGIPGIALX-UHFFFAOYSA-N -1 1 327.387 1.881 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000515573909 305724584 /nfs/dbraw/zinc/72/45/84/305724584.db2.gz YGIRRVQZGKBCHT-SECBINFHSA-N -1 1 340.361 1.943 20 5 EDBDMM Cc1cccc(C)c1NC(=O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016496694 441226290 /nfs/dbraw/zinc/22/62/90/441226290.db2.gz NQUYFWCWBNTGGA-UHFFFAOYSA-N -1 1 344.327 1.681 20 5 EDBDMM COc1ccc(C)cc1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000025762159 441355336 /nfs/dbraw/zinc/35/53/36/441355336.db2.gz NRYLBXJDORRTOI-UHFFFAOYSA-N -1 1 331.328 1.573 20 5 EDBDMM Cc1nc2ccccc2n1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000028814117 441438447 /nfs/dbraw/zinc/43/84/47/441438447.db2.gz OUBGJTXVVDIABC-UHFFFAOYSA-N -1 1 341.327 1.371 20 5 EDBDMM O=C(Cn1cc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)NC1CC1 ZINC000052487500 441453395 /nfs/dbraw/zinc/45/33/95/441453395.db2.gz QHHARYLDZREVLO-UHFFFAOYSA-N -1 1 346.303 1.722 20 5 EDBDMM CCNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146549942 441897139 /nfs/dbraw/zinc/89/71/39/441897139.db2.gz ILFVPALQBQVVBR-ZETCQYMHSA-N -1 1 335.769 1.051 20 5 EDBDMM C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)O ZINC000120764308 442129410 /nfs/dbraw/zinc/12/94/10/442129410.db2.gz YWNUDCLHLYDUGH-BDAKNGLRSA-N -1 1 336.797 1.934 20 5 EDBDMM CCC[C@H](NC(=O)CSc1ccc([N+](=O)[O-])cc1)c1nn[n-]n1 ZINC000176783223 442257359 /nfs/dbraw/zinc/25/73/59/442257359.db2.gz ZHYOPKOSSCFVLR-NSHDSACASA-N -1 1 336.377 1.858 20 5 EDBDMM CC(C)c1noc(CCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)n1 ZINC000130154299 442340317 /nfs/dbraw/zinc/34/03/17/442340317.db2.gz SHJOPIPFAMTOBP-UHFFFAOYSA-N -1 1 335.320 1.564 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(C2CCOCC2)CC1 ZINC000156161253 442451953 /nfs/dbraw/zinc/45/19/53/442451953.db2.gz CNIJQNMWHQMSGE-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM O=C(NC[C@H]1CCOc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193567190 442754482 /nfs/dbraw/zinc/75/44/82/442754482.db2.gz NFWGCFYFXCWYAX-SNVBAGLBSA-N -1 1 329.312 1.992 20 5 EDBDMM COCc1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1F ZINC000193563704 442754507 /nfs/dbraw/zinc/75/45/07/442754507.db2.gz QIWMLGCYMKKMPS-UHFFFAOYSA-N -1 1 335.291 1.911 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nnc(C2CC2)o1 ZINC000189072093 442871564 /nfs/dbraw/zinc/87/15/64/442871564.db2.gz YTTAMHCEEJJOLB-UHFFFAOYSA-N -1 1 342.308 1.473 20 5 EDBDMM COC(=O)[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000269255337 443253196 /nfs/dbraw/zinc/25/31/96/443253196.db2.gz ABEQVPTZWXTEAS-SSDOTTSWSA-N -1 1 336.753 1.336 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000446935295 320136064 /nfs/dbraw/zinc/13/60/64/320136064.db2.gz ZCEARKLUTXVZBI-UHFFFAOYSA-N -1 1 348.764 1.622 20 5 EDBDMM O=C(N[C@@H]1CCO[C@H](c2cccnc2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298420803 443765580 /nfs/dbraw/zinc/76/55/80/443765580.db2.gz OEQGOLYOELJQFT-RISCZKNCSA-N -1 1 344.327 1.741 20 5 EDBDMM O=C(c1ccc([O-])cc1F)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296980549 444266373 /nfs/dbraw/zinc/26/63/73/444266373.db2.gz PHVLJHDKKRDFEU-UHFFFAOYSA-N -1 1 346.318 1.797 20 5 EDBDMM O=C(c1cc(F)ccc1[O-])N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000297036660 444269110 /nfs/dbraw/zinc/26/91/10/444269110.db2.gz UHKPTUNKZSANCQ-UHFFFAOYSA-N -1 1 346.318 1.797 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@H]1C1CC1 ZINC000318326153 444318852 /nfs/dbraw/zinc/31/88/52/444318852.db2.gz TWIAUKLWPSZMDC-GWCFXTLKSA-N -1 1 330.337 1.580 20 5 EDBDMM COC(=O)CC1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000338019279 444488010 /nfs/dbraw/zinc/48/80/10/444488010.db2.gz DJOCDTBQXJDELY-UHFFFAOYSA-N -1 1 348.402 1.811 20 5 EDBDMM CCNC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000340743102 444496296 /nfs/dbraw/zinc/49/62/96/444496296.db2.gz STEONTJZRZZAJI-UHFFFAOYSA-N -1 1 332.316 1.690 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](c1cccnc1)C1CC1 ZINC000580457144 322054674 /nfs/dbraw/zinc/05/46/74/322054674.db2.gz HGERJUQKFFRBFA-ZDUSSCGKSA-N -1 1 334.357 1.814 20 5 EDBDMM C[C@@H](CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nn[nH]n1 ZINC000581945817 322236994 /nfs/dbraw/zinc/23/69/94/322236994.db2.gz OZLRVDWTPRCXJP-LURJTMIESA-N -1 1 340.727 1.343 20 5 EDBDMM O=[N+]([O-])c1cnn(CC[N-]S(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000340939681 444586771 /nfs/dbraw/zinc/58/67/71/444586771.db2.gz XFPHQGVODKSPCG-UHFFFAOYSA-N -1 1 348.743 1.562 20 5 EDBDMM COc1cc(C(=O)[N-]c2nc3ccccn3n2)c([N+](=O)[O-])cc1OC ZINC000342673875 444808137 /nfs/dbraw/zinc/80/81/37/444808137.db2.gz CUDPSCCGQKONLD-UHFFFAOYSA-N -1 1 343.299 1.907 20 5 EDBDMM COC(=O)CCN1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000339075120 445021456 /nfs/dbraw/zinc/02/14/56/445021456.db2.gz NWPOPKRFVTXDGH-LBPRGKRZSA-N -1 1 337.376 1.370 20 5 EDBDMM C[C@@H](NC(=O)CNC(=O)c1ncccc1[O-])c1ccccc1[N+](=O)[O-] ZINC000341765947 444990647 /nfs/dbraw/zinc/99/06/47/444990647.db2.gz AJWDAYPUWVDDQH-SNVBAGLBSA-N -1 1 344.327 1.303 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ncc(C)s2)c([N+](=O)[O-])n1 ZINC000339045450 445005861 /nfs/dbraw/zinc/00/58/61/445005861.db2.gz PGKGKSTUIPDXDL-MRVPVSSYSA-N -1 1 345.406 1.616 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c([N+](=O)[O-])n1 ZINC000339044563 445006260 /nfs/dbraw/zinc/00/62/60/445006260.db2.gz BLEFXQHFJZMCAR-KWCYVHTRSA-N -1 1 348.384 1.428 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2CCC(OC)CC2)c([N+](=O)[O-])n1 ZINC000339046727 445007162 /nfs/dbraw/zinc/00/71/62/445007162.db2.gz URGLVHNKHCOMLG-UHFFFAOYSA-N -1 1 346.409 1.295 20 5 EDBDMM O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000344656023 445108317 /nfs/dbraw/zinc/10/83/17/445108317.db2.gz HZQTXKLUNBLJLI-UHFFFAOYSA-N -1 1 342.315 1.916 20 5 EDBDMM CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2cccc([O-])c2[N+](=O)[O-])C1 ZINC000348537894 445318880 /nfs/dbraw/zinc/31/88/80/445318880.db2.gz JRWNYNPHQUZBCT-SCZZXKLOSA-N -1 1 333.304 1.021 20 5 EDBDMM NC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000357135575 445447742 /nfs/dbraw/zinc/44/77/42/445447742.db2.gz KMPAJJKBUSTQIA-UHFFFAOYSA-N -1 1 336.329 1.886 20 5 EDBDMM CC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)c1cccc([N+](=O)[O-])c1 ZINC000352056838 445463763 /nfs/dbraw/zinc/46/37/63/445463763.db2.gz HLGDYYVGNKYNIX-JTQLQIEISA-N -1 1 348.315 1.686 20 5 EDBDMM O=[N+]([O-])c1ccc(-c2nc(-c3cnc(NCC(F)F)cn3)no2)[n-]1 ZINC000350447004 445830502 /nfs/dbraw/zinc/83/05/02/445830502.db2.gz YQEJXVZOKPSTBC-UHFFFAOYSA-N -1 1 337.246 2.107 20 5 EDBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000350835615 445923889 /nfs/dbraw/zinc/92/38/89/445923889.db2.gz RZGFBWBBRSDXDH-SECBINFHSA-N -1 1 333.304 1.407 20 5 EDBDMM COC(=O)c1cc(Oc2nc3c(cnn3C)c(=O)[n-]2)ccc1[N+](=O)[O-] ZINC000356735107 445977892 /nfs/dbraw/zinc/97/78/92/445977892.db2.gz DROPCGJAJXDPRE-UHFFFAOYSA-N -1 1 345.271 1.556 20 5 EDBDMM O=C([N-]c1n[nH]c(-c2c(F)cccc2F)n1)c1ccc([N+](=O)[O-])cn1 ZINC000366259705 446112611 /nfs/dbraw/zinc/11/26/11/446112611.db2.gz NYHPKFIIIHJMIK-UHFFFAOYSA-N -1 1 346.253 2.305 20 5 EDBDMM Cn1ccnc1[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000376114190 446339967 /nfs/dbraw/zinc/33/99/67/446339967.db2.gz MMOCBZOZCFRLNB-SNVBAGLBSA-N -1 1 331.332 1.449 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2OC)c([N+](=O)[O-])n1 ZINC000435796724 446712271 /nfs/dbraw/zinc/71/22/71/446712271.db2.gz BTUFPSWGGJJSDH-UHFFFAOYSA-N -1 1 340.361 1.298 20 5 EDBDMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371616323 446938392 /nfs/dbraw/zinc/93/83/92/446938392.db2.gz MTLXRLDICQJLIT-DOMZBBRYSA-N -1 1 349.387 1.531 20 5 EDBDMM CSC[C@](C)(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443242790 447012930 /nfs/dbraw/zinc/01/29/30/447012930.db2.gz CFGCJOFPVPBVIJ-SECBINFHSA-N -1 1 326.421 1.049 20 5 EDBDMM Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC000368690547 447040651 /nfs/dbraw/zinc/04/06/51/447040651.db2.gz WOOUANAVPRKPQB-GFCCVEGCSA-N -1 1 345.359 1.986 20 5 EDBDMM CO[C@@H](CS(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C1CC1 ZINC000515060829 448253182 /nfs/dbraw/zinc/25/31/82/448253182.db2.gz OTMANVGXANLHQN-LBPRGKRZSA-N -1 1 344.345 1.460 20 5 EDBDMM C[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)c1cccc([N+](=O)[O-])c1 ZINC000572223405 448318191 /nfs/dbraw/zinc/31/81/91/448318191.db2.gz ATWNDWPHWUTYGX-CMPLNLGQSA-N -1 1 330.348 1.618 20 5 EDBDMM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(NCc2n[nH]c(C(C)(C)C)n2)n1 ZINC000565040439 448351781 /nfs/dbraw/zinc/35/17/81/448351781.db2.gz DCPGVJFEWXUVFZ-UHFFFAOYSA-N -1 1 334.336 2.024 20 5 EDBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nncn2Cc2ccccc2)n1 ZINC000565634399 448374047 /nfs/dbraw/zinc/37/40/47/448374047.db2.gz IGWIBZXYNZPSKS-UHFFFAOYSA-N -1 1 341.331 1.703 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000534316054 448445009 /nfs/dbraw/zinc/44/50/09/448445009.db2.gz IRKJURHILUFJIG-ILWJIGKKSA-N -1 1 332.382 1.046 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000545926612 448809952 /nfs/dbraw/zinc/80/99/52/448809952.db2.gz JGHOQSJWTDJFHB-OCCSQVGLSA-N -1 1 341.389 1.473 20 5 EDBDMM CC(C)[C@H]1C[C@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000569076659 448957486 /nfs/dbraw/zinc/95/74/86/448957486.db2.gz KTSDKRCTNAVBPA-VXGBXAGGSA-N -1 1 343.405 1.719 20 5 EDBDMM C[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000593609384 449107001 /nfs/dbraw/zinc/10/70/01/449107001.db2.gz XAPZHUZMHDEWMA-SSDOTTSWSA-N -1 1 327.284 1.857 20 5 EDBDMM CC(C)(CO)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1cccnc1 ZINC000597843780 449118846 /nfs/dbraw/zinc/11/88/46/449118846.db2.gz BHQIHDOXUVSKPN-ZDUSSCGKSA-N -1 1 346.343 1.580 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2c(C)noc2C)c([N+](=O)[O-])n1 ZINC000611107093 449170994 /nfs/dbraw/zinc/17/09/94/449170994.db2.gz ABEZSIKMDZLRLA-MRVPVSSYSA-N -1 1 343.365 1.456 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCn1cncn1 ZINC000604432176 449229771 /nfs/dbraw/zinc/22/97/71/449229771.db2.gz BNKXFBJFTXGUPT-UHFFFAOYSA-N -1 1 345.768 1.208 20 5 EDBDMM O=C(c1ccc([O-])c(F)c1)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000590890299 449334707 /nfs/dbraw/zinc/33/47/07/449334707.db2.gz YGMHLZONOLMMPO-UHFFFAOYSA-N -1 1 346.318 1.797 20 5 EDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C(=O)[O-])[C@H](C)C1 ZINC000600704195 449504972 /nfs/dbraw/zinc/50/49/72/449504972.db2.gz UIUIRZDVAIMCSE-JTNHKYCSSA-N -1 1 335.360 1.964 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCCOC(C)(C)C)c([N+](=O)[O-])n1 ZINC000594849327 449757028 /nfs/dbraw/zinc/75/70/28/449757028.db2.gz OAVWQPZVRJIUNH-UHFFFAOYSA-N -1 1 334.398 1.295 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](O)Cc1ccccc1 ZINC000163658089 533749938 /nfs/dbraw/zinc/74/99/38/533749938.db2.gz JKWARFHZWGYDDT-HZMBPMFUSA-N -1 1 331.328 1.417 20 5 EDBDMM O=C([O-])NCC1(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000740611627 579368488 /nfs/dbraw/zinc/36/84/88/579368488.db2.gz FGWMTBVHHZGLKR-UHFFFAOYSA-N -1 1 347.331 1.781 20 5 EDBDMM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738232141 579175391 /nfs/dbraw/zinc/17/53/91/579175391.db2.gz GUQWGUOQGIIXCK-UHFFFAOYSA-N -1 1 326.272 1.527 20 5 EDBDMM O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738232141 579175392 /nfs/dbraw/zinc/17/53/92/579175392.db2.gz GUQWGUOQGIIXCK-UHFFFAOYSA-N -1 1 326.272 1.527 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(F)cc1 ZINC000751187876 579796655 /nfs/dbraw/zinc/79/66/55/579796655.db2.gz HKFJYNJZRHVMHH-LLVKDONJSA-N -1 1 341.320 1.141 20 5 EDBDMM COC(=O)CCC(C)(C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000751254322 579799298 /nfs/dbraw/zinc/79/92/98/579799298.db2.gz QLZIQOPLOVOXOS-UHFFFAOYSA-N -1 1 348.352 1.744 20 5 EDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]N=c1[nH]cccc1[N+](=O)[O-] ZINC000759167267 580000042 /nfs/dbraw/zinc/00/00/42/580000042.db2.gz GGBCXZUYENKTCP-UHFFFAOYSA-N -1 1 339.289 1.203 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000762343071 580072622 /nfs/dbraw/zinc/07/26/22/580072622.db2.gz BYYZHDMKXITHGL-UHFFFAOYSA-N -1 1 334.781 1.688 20 5 EDBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c(=O)[nH]1 ZINC000790402820 580768742 /nfs/dbraw/zinc/76/87/42/580768742.db2.gz ITPJIDGRICKWCC-UHFFFAOYSA-N -1 1 327.293 1.944 20 5 EDBDMM CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000791288179 580788564 /nfs/dbraw/zinc/78/85/64/580788564.db2.gz XTDUXQCORLYPLD-UHFFFAOYSA-N -1 1 340.343 1.568 20 5 EDBDMM CCOC(=O)C1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCC1 ZINC000791847289 580803612 /nfs/dbraw/zinc/80/36/12/580803612.db2.gz CFMHKIRQCGGPSE-UHFFFAOYSA-N -1 1 337.332 1.549 20 5 EDBDMM COc1ncccc1C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000792036225 580808394 /nfs/dbraw/zinc/80/83/94/580808394.db2.gz YVGQKBQCJPUGHC-UHFFFAOYSA-N -1 1 332.268 1.744 20 5 EDBDMM Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000804478081 593418107 /nfs/dbraw/zinc/41/81/07/593418107.db2.gz BDCNIGQMDZCDBN-YGRLFVJLSA-N -1 1 331.328 1.856 20 5 EDBDMM Cc1ccccc1[C@H](CO)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768847430 593442624 /nfs/dbraw/zinc/44/26/24/593442624.db2.gz OKCKEJSFOCNSKD-LBPRGKRZSA-N -1 1 342.398 1.977 20 5 EDBDMM O=c1[n-]nc([C@H]2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)o1 ZINC000811841133 593483982 /nfs/dbraw/zinc/48/39/82/593483982.db2.gz QXOBLXRGTPMJGA-VIFPVBQESA-N -1 1 330.304 1.715 20 5 EDBDMM COc1ccccc1CN(OC)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000812368373 593499965 /nfs/dbraw/zinc/49/99/65/593499965.db2.gz XHNUHFSQPGQXEH-UHFFFAOYSA-N -1 1 333.300 1.908 20 5 EDBDMM COc1ccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821794483 593940708 /nfs/dbraw/zinc/94/07/08/593940708.db2.gz IOSQWXLEQACRGS-UHFFFAOYSA-N -1 1 341.331 1.833 20 5 EDBDMM COc1ccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821794483 593940711 /nfs/dbraw/zinc/94/07/11/593940711.db2.gz IOSQWXLEQACRGS-UHFFFAOYSA-N -1 1 341.331 1.833 20 5 EDBDMM CC(C)[C@@H](O)C1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CC1 ZINC000824198780 593954100 /nfs/dbraw/zinc/95/41/00/593954100.db2.gz DTIJXOTUZVKGPI-LLVKDONJSA-N -1 1 333.352 1.379 20 5 EDBDMM CC(C)[C@@H](O)C1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CC1 ZINC000824198780 593954102 /nfs/dbraw/zinc/95/41/02/593954102.db2.gz DTIJXOTUZVKGPI-LLVKDONJSA-N -1 1 333.352 1.379 20 5 EDBDMM Cc1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822227537 594015544 /nfs/dbraw/zinc/01/55/44/594015544.db2.gz MMXHNYLHAGXRKV-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM Cc1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822227537 594015547 /nfs/dbraw/zinc/01/55/47/594015547.db2.gz MMXHNYLHAGXRKV-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM CCO[C@H]1C[C@@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C12CCC2 ZINC000821358197 594026656 /nfs/dbraw/zinc/02/66/56/594026656.db2.gz IBKLGSWUZACHDK-MNOVXSKESA-N -1 1 345.363 1.930 20 5 EDBDMM CCO[C@H]1C[C@@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C12CCC2 ZINC000821358197 594026658 /nfs/dbraw/zinc/02/66/58/594026658.db2.gz IBKLGSWUZACHDK-MNOVXSKESA-N -1 1 345.363 1.930 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@@H](C)O ZINC000832309205 594741888 /nfs/dbraw/zinc/74/18/88/594741888.db2.gz GBELKIALMDMXDS-MUWHJKNJSA-N -1 1 340.760 1.825 20 5 EDBDMM CC[C@H](C)[C@@H](NC(=O)CN[C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000833637095 594894252 /nfs/dbraw/zinc/89/42/52/594894252.db2.gz BYZFXDODDUHPEW-FIXISWKDSA-N -1 1 337.376 1.861 20 5 EDBDMM CC(C)[C@H](CO)O[N-]C(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000836901020 595012390 /nfs/dbraw/zinc/01/23/90/595012390.db2.gz VLAKTUVCSFCLPM-LBPRGKRZSA-N -1 1 334.731 1.995 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSC(F)(F)F)nc1 ZINC000845822596 595074298 /nfs/dbraw/zinc/07/42/98/595074298.db2.gz YPWVYMBARCEOFP-UHFFFAOYSA-N -1 1 331.297 1.521 20 5 EDBDMM CCC[C@H](C)[C@@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000845967847 595108830 /nfs/dbraw/zinc/10/88/30/595108830.db2.gz FARGPMKGNPZSJX-GXSJLCMTSA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@]1(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000845974732 595110690 /nfs/dbraw/zinc/11/06/90/595110690.db2.gz DMCUEQAHOUKUHM-WDEREUQCSA-N -1 1 337.760 1.973 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1F)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342231 596043300 /nfs/dbraw/zinc/04/33/00/596043300.db2.gz MFJFPHVCRQGTOM-UHFFFAOYSA-N -1 1 336.279 1.842 20 5 EDBDMM O=[N+]([O-])c1cnc(SC[C@H](O)c2ccccc2)c(-c2nn[n-]n2)c1 ZINC000738373312 598500173 /nfs/dbraw/zinc/50/01/73/598500173.db2.gz ADNSGHQIVCWEMQ-LBPRGKRZSA-N -1 1 344.356 1.996 20 5 EDBDMM COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1[N+](=O)[O-] ZINC000918379557 697159642 /nfs/dbraw/zinc/15/96/42/697159642.db2.gz LIVROTXIGPFLMI-UHFFFAOYSA-N -1 1 348.271 1.542 20 5 EDBDMM CCn1cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ccc1=O ZINC000057118885 214406045 /nfs/dbraw/zinc/40/60/45/214406045.db2.gz MHVUOROFFOQNOJ-UHFFFAOYSA-N -1 1 341.320 1.716 20 5 EDBDMM Cc1cc(NCCN2C[C@H]3CC[C@@H](C2)O3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000563203696 306323157 /nfs/dbraw/zinc/32/31/57/306323157.db2.gz CIUZTMLIQWKUCI-BETUJISGSA-N -1 1 335.360 1.877 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H](C)c1nn[n-]n1 ZINC000183415991 235059794 /nfs/dbraw/zinc/05/97/94/235059794.db2.gz VCWZTFNZEOGRRQ-SNVBAGLBSA-N -1 1 332.364 1.909 20 5 EDBDMM Cc1cc(Cl)c(S(=O)(=O)[N-]CC(F)(F)CO)cc1[N+](=O)[O-] ZINC000184301411 235360253 /nfs/dbraw/zinc/36/02/53/235360253.db2.gz WHDICOYCOFNUGK-UHFFFAOYSA-N -1 1 344.723 1.463 20 5 EDBDMM Cc1n[nH]cc1C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000038012153 213188560 /nfs/dbraw/zinc/18/85/60/213188560.db2.gz NRIMTNLTUURKCZ-UHFFFAOYSA-N -1 1 330.753 1.758 20 5 EDBDMM Cc1cnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])o1 ZINC000190037625 238184405 /nfs/dbraw/zinc/18/44/05/238184405.db2.gz AASIOLJYPGSDNX-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)c2cscn2)c([N+](=O)[O-])n1 ZINC000565492353 306385243 /nfs/dbraw/zinc/38/52/43/306385243.db2.gz UMAHZNGVWYVVOL-ZETCQYMHSA-N -1 1 331.379 1.307 20 5 EDBDMM O=C(N[C@H]1CCCC[C@H]1n1cccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187160354 138823842 /nfs/dbraw/zinc/82/38/42/138823842.db2.gz NZTWZPFVVAABJT-NWDGAFQWSA-N -1 1 331.332 1.806 20 5 EDBDMM O=C(NCCOc1ccc(F)c(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000188433046 138841219 /nfs/dbraw/zinc/84/12/19/138841219.db2.gz XUDDUABACQZFCW-UHFFFAOYSA-N -1 1 339.254 1.782 20 5 EDBDMM CC[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000248489925 139166062 /nfs/dbraw/zinc/16/60/62/139166062.db2.gz HTQVNNIQEOWGRH-AAEUAGOBSA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000263655130 139350206 /nfs/dbraw/zinc/35/02/06/139350206.db2.gz CFDDCEYKOUVPHU-VIFPVBQESA-N -1 1 344.780 1.812 20 5 EDBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nnn[n-]1 ZINC000263991777 139374463 /nfs/dbraw/zinc/37/44/63/139374463.db2.gz GQMCQIVVRQZVBF-UHFFFAOYSA-N -1 1 345.241 1.567 20 5 EDBDMM O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1nn[n-]n1 ZINC000263991777 139374464 /nfs/dbraw/zinc/37/44/64/139374464.db2.gz GQMCQIVVRQZVBF-UHFFFAOYSA-N -1 1 345.241 1.567 20 5 EDBDMM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nnn[n-]2)CC1 ZINC000118685745 221170343 /nfs/dbraw/zinc/17/03/43/221170343.db2.gz ATSZFUYWAJJOPY-UHFFFAOYSA-N -1 1 331.336 1.597 20 5 EDBDMM CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2nn[n-]n2)CC1 ZINC000118685745 221170346 /nfs/dbraw/zinc/17/03/46/221170346.db2.gz ATSZFUYWAJJOPY-UHFFFAOYSA-N -1 1 331.336 1.597 20 5 EDBDMM COC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000358821844 285315220 /nfs/dbraw/zinc/31/52/20/285315220.db2.gz ZOQLVWMLBIXWAQ-SNVBAGLBSA-N -1 1 342.295 1.841 20 5 EDBDMM O=C([O-])C1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000270519232 140115843 /nfs/dbraw/zinc/11/58/43/140115843.db2.gz RBWGXHCRJAEAQG-UHFFFAOYSA-N -1 1 332.309 1.410 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(C3CC3)CCOCC2)s1 ZINC000364855375 153352195 /nfs/dbraw/zinc/35/21/95/153352195.db2.gz MYLIRZVPGFMTHY-UHFFFAOYSA-N -1 1 332.403 1.894 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H](c2ccncn2)C1 ZINC000367350605 154084759 /nfs/dbraw/zinc/08/47/59/154084759.db2.gz WQKABINIDZRFSO-SNVBAGLBSA-N -1 1 329.316 1.505 20 5 EDBDMM O=C(NC[C@H](CO)Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352390959 162158038 /nfs/dbraw/zinc/15/80/38/162158038.db2.gz NKQJSWXDFQGKEQ-GFCCVEGCSA-N -1 1 331.328 1.276 20 5 EDBDMM C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000159339424 225198924 /nfs/dbraw/zinc/19/89/24/225198924.db2.gz OKPWOHADMBQQJD-YGRLFVJLSA-N -1 1 331.328 1.937 20 5 EDBDMM O=C([O-])[C@H](CC(F)F)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000275300968 268317553 /nfs/dbraw/zinc/31/75/53/268317553.db2.gz QMDJVEZUSBMZJS-LURJTMIESA-N -1 1 342.251 1.121 20 5 EDBDMM C[C@@H]1CN(C(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C[C@@H](C)O1 ZINC000277883431 273232203 /nfs/dbraw/zinc/23/22/03/273232203.db2.gz CNURLFKZULSPFU-RKDXNWHRSA-N -1 1 335.320 1.151 20 5 EDBDMM Cc1nc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)ccc1[C@H](C)O ZINC000278036209 273242039 /nfs/dbraw/zinc/24/20/39/273242039.db2.gz KNGGNUGLHDRNMD-VIFPVBQESA-N -1 1 332.316 1.382 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n(C)n1 ZINC000284773041 274326338 /nfs/dbraw/zinc/32/63/38/274326338.db2.gz WDPHKLNINBBRII-UHFFFAOYSA-N -1 1 328.325 1.254 20 5 EDBDMM CCc1nc(CNS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n[nH]1 ZINC000297218337 303374259 /nfs/dbraw/zinc/37/42/59/303374259.db2.gz VSLBHYLARFUUIA-UHFFFAOYSA-N -1 1 339.377 1.371 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nc(C)cs2)c([N+](=O)[O-])n1 ZINC000435807999 305147573 /nfs/dbraw/zinc/14/75/73/305147573.db2.gz KHDZVLHPFJPLSE-UHFFFAOYSA-N -1 1 331.379 1.055 20 5 EDBDMM O=C(NCCNc1ccccc1[N+](=O)[O-])C(=O)c1ccc([O-])cc1 ZINC000436704744 305166162 /nfs/dbraw/zinc/16/61/62/305166162.db2.gz PJPDIGXRWBOBDS-UHFFFAOYSA-N -1 1 329.312 1.711 20 5 EDBDMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)cc2[nH]1 ZINC000005252677 440944565 /nfs/dbraw/zinc/94/45/65/440944565.db2.gz IVGDWVHMKUTFGO-UHFFFAOYSA-N -1 1 334.313 1.565 20 5 EDBDMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000127457242 442204885 /nfs/dbraw/zinc/20/48/85/442204885.db2.gz PKWCNASWMGJWMS-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM CN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000192653544 442672740 /nfs/dbraw/zinc/67/27/40/442672740.db2.gz BWIHQBCINDLHRK-QMMMGPOBSA-N -1 1 347.780 1.147 20 5 EDBDMM CCN1CCN([C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3[O-])C2)CC1 ZINC000272381251 443608483 /nfs/dbraw/zinc/60/84/83/443608483.db2.gz JFIDQSKEEFXNFJ-AWEZNQCLSA-N -1 1 348.403 1.152 20 5 EDBDMM O=C([N-]C[C@@H](O)C(F)(F)F)C(F)(F)c1ccc([N+](=O)[O-])cc1 ZINC000272391534 443611767 /nfs/dbraw/zinc/61/17/67/443611767.db2.gz UGJSREXAYHLEHK-MRVPVSSYSA-N -1 1 328.193 1.726 20 5 EDBDMM COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)CC(C)C ZINC000439899686 320052740 /nfs/dbraw/zinc/05/27/40/320052740.db2.gz WGIVPFKQGRRCQW-SECBINFHSA-N -1 1 325.321 1.261 20 5 EDBDMM CCC[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000298960143 443913820 /nfs/dbraw/zinc/91/38/20/443913820.db2.gz GOWNFQHTFNNJOK-CYBMUJFWSA-N -1 1 348.352 1.744 20 5 EDBDMM C[C@H](Cn1cccn1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000298982339 443920383 /nfs/dbraw/zinc/92/03/83/443920383.db2.gz JHXGXGHPIXZCKA-SECBINFHSA-N -1 1 328.325 1.297 20 5 EDBDMM C[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289055248 444043115 /nfs/dbraw/zinc/04/31/15/444043115.db2.gz FUJZTNJLNGVFHJ-LURJTMIESA-N -1 1 343.188 1.808 20 5 EDBDMM O=C(NCc1noc(-c2cccs2)n1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000551994301 320919733 /nfs/dbraw/zinc/91/97/33/320919733.db2.gz JNSQKCGLPASWFK-UHFFFAOYSA-N -1 1 347.312 1.737 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1CCCC12CCOCC2 ZINC000554528898 320952571 /nfs/dbraw/zinc/95/25/71/320952571.db2.gz YUHSAUSTPSLPDT-LBPRGKRZSA-N -1 1 341.389 1.617 20 5 EDBDMM C[C@@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@H](C)O1 ZINC000554928737 320960625 /nfs/dbraw/zinc/96/06/25/320960625.db2.gz LWCHGAHNCCBGKF-ZSBIGDGJSA-N -1 1 343.405 1.862 20 5 EDBDMM C[C@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@H]1C(=O)[O-] ZINC000570803242 321358062 /nfs/dbraw/zinc/35/80/62/321358062.db2.gz LGLRMKHGYRGDLM-KWQFWETISA-N -1 1 332.316 1.654 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])n1 ZINC000343906735 444660238 /nfs/dbraw/zinc/66/02/38/444660238.db2.gz LUSPLSSGNKXVAH-WDEREUQCSA-N -1 1 346.409 1.295 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000336849835 444802449 /nfs/dbraw/zinc/80/24/49/444802449.db2.gz JTWNJLOJYGKDOH-UHFFFAOYSA-N -1 1 325.302 1.730 20 5 EDBDMM O=C(NCc1nc(-c2ccncc2)no1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000344543749 445047959 /nfs/dbraw/zinc/04/79/59/445047959.db2.gz HVVAYYWZXZNLGY-UHFFFAOYSA-N -1 1 342.271 1.070 20 5 EDBDMM Nc1c(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)cccc1[N+](=O)[O-] ZINC000339190707 445081613 /nfs/dbraw/zinc/08/16/13/445081613.db2.gz ZJYLKRBGJPFUBV-UHFFFAOYSA-N -1 1 333.304 1.285 20 5 EDBDMM Cn1cc([C@H]2CN(Cc3cc([O-])ccc3[N+](=O)[O-])C[C@H]2CO)cn1 ZINC000339129573 445046219 /nfs/dbraw/zinc/04/62/19/445046219.db2.gz TZYJFQUNKDUKAF-DZGCQCFKSA-N -1 1 332.360 1.242 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CCN1C[C@H](C)O ZINC000330789776 445142211 /nfs/dbraw/zinc/14/22/11/445142211.db2.gz AGNIIMFTWRLMAV-WCQYABFASA-N -1 1 337.376 1.218 20 5 EDBDMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)[C@H]2C1 ZINC000356615270 445887783 /nfs/dbraw/zinc/88/77/83/445887783.db2.gz IMWYDRNOOICDBK-LEWSCRJBSA-N -1 1 348.359 1.072 20 5 EDBDMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000363693855 445870234 /nfs/dbraw/zinc/87/02/34/445870234.db2.gz KYVWFLCRCLLTFV-DOMZBBRYSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C1CCCCN1CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000359183228 446007549 /nfs/dbraw/zinc/00/75/49/446007549.db2.gz DDJGRTBXJREOOW-UHFFFAOYSA-N -1 1 347.418 1.337 20 5 EDBDMM Cn1ncc2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc21 ZINC000584146829 326207024 /nfs/dbraw/zinc/20/70/24/326207024.db2.gz SAUNXVHFXKHFEX-UHFFFAOYSA-N -1 1 327.300 1.512 20 5 EDBDMM COC[C@@H](Cc1ccccc1)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445007047 447154745 /nfs/dbraw/zinc/15/47/45/447154745.db2.gz IKWWWDVYOBIPEZ-CYBMUJFWSA-N -1 1 331.328 1.683 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000416578555 447652474 /nfs/dbraw/zinc/65/24/74/447652474.db2.gz GYQMBRKZLJEHHX-NWDGAFQWSA-N -1 1 342.421 1.916 20 5 EDBDMM C[C@@H]1[C@@H](C(=O)[O-])CCN1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000576114943 447977881 /nfs/dbraw/zinc/97/78/81/447977881.db2.gz CIXLWTSEBASZOQ-SKDRFNHKSA-N -1 1 332.316 1.940 20 5 EDBDMM CC(C)(CO)[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CC1 ZINC000572746092 448454103 /nfs/dbraw/zinc/45/41/03/448454103.db2.gz FNZAVIMRZCIHQD-NSHDSACASA-N -1 1 329.378 1.065 20 5 EDBDMM Cc1nc(CN2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000521441206 448986252 /nfs/dbraw/zinc/98/62/52/448986252.db2.gz GJJLLQPPJPEQEI-UHFFFAOYSA-N -1 1 346.347 1.042 20 5 EDBDMM Cc1cccc2c1OC[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C2 ZINC000575221233 449064189 /nfs/dbraw/zinc/06/41/89/449064189.db2.gz LIOPFGJNBULSKY-GFCCVEGCSA-N -1 1 349.368 1.580 20 5 EDBDMM Nc1nccc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1[N+](=O)[O-] ZINC000548712901 449087647 /nfs/dbraw/zinc/08/76/47/449087647.db2.gz KYMSUFLISIBCQO-UHFFFAOYSA-N -1 1 330.329 1.698 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CO)CC1CC1 ZINC000611109939 449171311 /nfs/dbraw/zinc/17/13/11/449171311.db2.gz KRASXZAORFUWTP-VIFPVBQESA-N -1 1 334.781 1.688 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(Cl)o2)c([N+](=O)[O-])n1 ZINC000611104763 449169177 /nfs/dbraw/zinc/16/91/77/449169177.db2.gz CRZAPCAKUMENAW-UHFFFAOYSA-N -1 1 334.741 1.536 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000593744277 449174881 /nfs/dbraw/zinc/17/48/81/449174881.db2.gz OUPCNIMBMJWFOZ-ZIAGYGMSSA-N -1 1 338.385 1.999 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1nnn(-c2cccc([N+](=O)[O-])c2)c1C ZINC000590566267 449193546 /nfs/dbraw/zinc/19/35/46/449193546.db2.gz XCIDLNPHDQFEMZ-UHFFFAOYSA-N -1 1 343.303 1.473 20 5 EDBDMM O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000594387835 449487008 /nfs/dbraw/zinc/48/70/08/449487008.db2.gz XWFIFUADLYOZSE-NSHDSACASA-N -1 1 333.304 1.200 20 5 EDBDMM CC[C@H](COCC1CC1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000594800509 449711578 /nfs/dbraw/zinc/71/15/78/449711578.db2.gz GOEHZVDEQQOMEK-LLVKDONJSA-N -1 1 329.378 1.473 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCO[C@@H]2CC2(F)F)s1 ZINC000594840638 449748347 /nfs/dbraw/zinc/74/83/47/449748347.db2.gz UOWCOYTXGPTJAY-ZCFIWIBFSA-N -1 1 328.318 1.359 20 5 EDBDMM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cc1F ZINC000599258345 449837732 /nfs/dbraw/zinc/83/77/32/449837732.db2.gz OVTBKECLMCFJLN-SECBINFHSA-N -1 1 342.352 1.815 20 5 EDBDMM CCC[C@@H](C[N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])OCC ZINC000599368122 449924574 /nfs/dbraw/zinc/92/45/74/449924574.db2.gz QWMFOUGZEZUZCY-JTQLQIEISA-N -1 1 334.398 1.295 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCc2cc(O)ccc2C1 ZINC000618180332 450044107 /nfs/dbraw/zinc/04/41/07/450044107.db2.gz WNVXRZVRGVVQHT-GFCCVEGCSA-N -1 1 349.368 1.531 20 5 EDBDMM O=C(c1cccc([O-])c1[N+](=O)[O-])N1CCC[C@H](N2CCOCC2)CC1 ZINC000597619285 450148482 /nfs/dbraw/zinc/14/84/82/450148482.db2.gz FJSHLCBQYHKWJA-ZDUSSCGKSA-N -1 1 349.387 1.627 20 5 EDBDMM CC(C)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610715774 450309674 /nfs/dbraw/zinc/30/96/74/450309674.db2.gz HPDXJJHEBZXLDF-LBPRGKRZSA-N -1 1 343.405 1.863 20 5 EDBDMM O=C(NCCCc1nc(=O)[n-][nH]1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000174374476 534853380 /nfs/dbraw/zinc/85/33/80/534853380.db2.gz KZGRFXLMUVYEFK-UHFFFAOYSA-N -1 1 340.727 1.414 20 5 EDBDMM CCN(CC)C(=O)CCC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000066333488 535418368 /nfs/dbraw/zinc/41/83/68/535418368.db2.gz LIYJKAFUNGEJIP-UHFFFAOYSA-N -1 1 349.434 1.583 20 5 EDBDMM O=C([O-])NC[C@H]1CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000740631596 579371853 /nfs/dbraw/zinc/37/18/53/579371853.db2.gz XXHKIBOFRRHWRW-LDYMZIIASA-N -1 1 347.331 1.637 20 5 EDBDMM Cc1n[nH]c(C(=O)N2CCC(CN(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740030728 578494492 /nfs/dbraw/zinc/49/44/92/578494492.db2.gz JILUVYPGOMTUGO-UHFFFAOYSA-N -1 1 325.325 1.088 20 5 EDBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)nc1 ZINC000738233665 579175750 /nfs/dbraw/zinc/17/57/50/579175750.db2.gz DXCIOVKTVFBOCU-UHFFFAOYSA-N -1 1 326.272 1.527 20 5 EDBDMM O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)nc1 ZINC000738233665 579175752 /nfs/dbraw/zinc/17/57/52/579175752.db2.gz DXCIOVKTVFBOCU-UHFFFAOYSA-N -1 1 326.272 1.527 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC([C@@H](C)NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000739540573 579216532 /nfs/dbraw/zinc/21/65/32/579216532.db2.gz UAPPNRXDIJFRMF-MRVPVSSYSA-N -1 1 339.352 1.389 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])ncn1 ZINC000756977943 579961348 /nfs/dbraw/zinc/96/13/48/579961348.db2.gz KYRZKXNXUAOLND-UHFFFAOYSA-N -1 1 342.764 1.825 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CO)CC(F)F ZINC000758232595 579977850 /nfs/dbraw/zinc/97/78/50/579977850.db2.gz GMTREUSSXFHCBN-ZETCQYMHSA-N -1 1 344.723 1.543 20 5 EDBDMM COc1cc(C)[n-]c(=NNS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000768889837 580223618 /nfs/dbraw/zinc/22/36/18/580223618.db2.gz SFABYDNXDCKXGY-UHFFFAOYSA-N -1 1 345.362 1.069 20 5 EDBDMM Cc1cc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc([N+](=O)[O-])c2)on1 ZINC000769047510 580226361 /nfs/dbraw/zinc/22/63/61/580226361.db2.gz ODRPCRHJPXRHFE-QMMMGPOBSA-N -1 1 335.272 1.781 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)o1 ZINC000771781578 580293884 /nfs/dbraw/zinc/29/38/84/580293884.db2.gz WOONGSKHXZRHAY-SSDOTTSWSA-N -1 1 344.324 1.773 20 5 EDBDMM Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000773159732 580328887 /nfs/dbraw/zinc/32/88/87/580328887.db2.gz MEJSNGVDIRJDDP-LLVKDONJSA-N -1 1 334.361 1.347 20 5 EDBDMM O=C(OC[C@H]1CCCS(=O)(=O)C1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000792033605 580808362 /nfs/dbraw/zinc/80/83/62/580808362.db2.gz BAMKLQIMXOLFNA-SECBINFHSA-N -1 1 329.330 1.282 20 5 EDBDMM CC(C)(C)c1ccc(NC(=O)NN2CC(=O)[N-]C2=O)cc1[N+](=O)[O-] ZINC000794371862 580889247 /nfs/dbraw/zinc/88/92/47/580889247.db2.gz ASRVRCJDLCDTOP-UHFFFAOYSA-N -1 1 335.320 1.481 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CC2(O)CCC2)cc1Cl ZINC000798228482 580991533 /nfs/dbraw/zinc/99/15/33/580991533.db2.gz LMGLEUZQMGZNFU-UHFFFAOYSA-N -1 1 338.744 1.581 20 5 EDBDMM O=C(Nc1nc(Br)ccc1[O-])c1cc([N+](=O)[O-])n[nH]1 ZINC000803172719 593307094 /nfs/dbraw/zinc/30/70/94/593307094.db2.gz UXDRLRHOTNDLMZ-UHFFFAOYSA-N -1 1 328.082 1.433 20 5 EDBDMM COC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809804885 593360141 /nfs/dbraw/zinc/36/01/41/593360141.db2.gz MFYBONXNMJXTAS-ZCFIWIBFSA-N -1 1 326.733 1.701 20 5 EDBDMM C[S@](=O)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809817955 593361736 /nfs/dbraw/zinc/36/17/36/593361736.db2.gz UYYNPYLNLSBNTR-IBGZPJMESA-N -1 1 344.773 1.044 20 5 EDBDMM CCc1cc(CNS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n[nH]1 ZINC000765187231 593434093 /nfs/dbraw/zinc/43/40/93/593434093.db2.gz SDYWHLHAMPYMBF-UHFFFAOYSA-N -1 1 338.389 1.976 20 5 EDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC000806488853 593451284 /nfs/dbraw/zinc/45/12/84/593451284.db2.gz SJZBBCYXCCUPBK-UHFFFAOYSA-N -1 1 340.343 1.914 20 5 EDBDMM COC(=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814984217 593608801 /nfs/dbraw/zinc/60/88/01/593608801.db2.gz UKGNNMDNSPXQFT-UHFFFAOYSA-N -1 1 340.716 1.229 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-][C@H]1CCCOC1 ZINC000815011733 593609441 /nfs/dbraw/zinc/60/94/41/593609441.db2.gz YEDCAIDUWZIGCR-ZETCQYMHSA-N -1 1 338.744 1.845 20 5 EDBDMM CC(=O)NCCN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000819780759 593768889 /nfs/dbraw/zinc/76/88/89/593768889.db2.gz KWTJIMUIWSNXLN-SECBINFHSA-N -1 1 343.767 1.659 20 5 EDBDMM CC(C)COC[C@H](O)CNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000820103194 593791460 /nfs/dbraw/zinc/79/14/60/593791460.db2.gz PDCQRUAUQOOBRB-LLVKDONJSA-N -1 1 336.352 1.220 20 5 EDBDMM Cc1nc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])sc1C ZINC000822444592 594050045 /nfs/dbraw/zinc/05/00/45/594050045.db2.gz UHCXHFCFKALBJT-UHFFFAOYSA-N -1 1 332.349 1.855 20 5 EDBDMM Cc1nc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])sc1C ZINC000822444592 594050047 /nfs/dbraw/zinc/05/00/47/594050047.db2.gz UHCXHFCFKALBJT-UHFFFAOYSA-N -1 1 332.349 1.855 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccccc1 ZINC000823619972 594221884 /nfs/dbraw/zinc/22/18/84/594221884.db2.gz DNIMSLFJXMABTE-NSHDSACASA-N -1 1 327.304 1.315 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccccc1 ZINC000823619972 594221885 /nfs/dbraw/zinc/22/18/85/594221885.db2.gz DNIMSLFJXMABTE-NSHDSACASA-N -1 1 327.304 1.315 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823621031 594222105 /nfs/dbraw/zinc/22/21/05/594222105.db2.gz VSBLODSBVORMLY-MEBBXXQBSA-N -1 1 345.363 1.301 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000823621031 594222106 /nfs/dbraw/zinc/22/21/06/594222106.db2.gz VSBLODSBVORMLY-MEBBXXQBSA-N -1 1 345.363 1.301 20 5 EDBDMM CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCN(C(=O)[O-])CC1 ZINC000828120822 594345875 /nfs/dbraw/zinc/34/58/75/594345875.db2.gz YDBIKEHUVTVBSN-UHFFFAOYSA-N -1 1 336.348 1.608 20 5 EDBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000833767869 594925640 /nfs/dbraw/zinc/92/56/40/594925640.db2.gz SFGALWQCURGGSN-NSHDSACASA-N -1 1 343.299 1.225 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@@H](O)C12CCC2 ZINC000849471545 595544486 /nfs/dbraw/zinc/54/44/86/595544486.db2.gz RUWQWAWZTQSAID-NWDGAFQWSA-N -1 1 346.792 1.830 20 5 EDBDMM COc1ncccc1C[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119456014 596584018 /nfs/dbraw/zinc/58/40/18/596584018.db2.gz JZKLEICFRFGRHP-UHFFFAOYSA-N -1 1 329.359 1.538 20 5 EDBDMM CCOC1CC2(C[C@@H]2[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000872652212 597011348 /nfs/dbraw/zinc/01/13/48/597011348.db2.gz AIEUAYNEEVBJNK-PEUVISTOSA-N -1 1 344.364 1.970 20 5 EDBDMM CN(C[C@@H]1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1)C(=O)[O-] ZINC000739664185 602524960 /nfs/dbraw/zinc/52/49/60/602524960.db2.gz KPCKSTBDDRBYEL-NSHDSACASA-N -1 1 333.348 1.834 20 5 EDBDMM CN(CCn1ccc([N+](=O)[O-])n1)Cc1nc(=O)c2sccc2[n-]1 ZINC000131634830 529939676 /nfs/dbraw/zinc/93/96/76/529939676.db2.gz NCBFVGKGCSLYGA-UHFFFAOYSA-N -1 1 334.361 1.221 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H](C)c1nn[n-]n1 ZINC000183416012 235059097 /nfs/dbraw/zinc/05/90/97/235059097.db2.gz VCWZTFNZEOGRRQ-JTQLQIEISA-N -1 1 332.364 1.909 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC(CN2CCOCC2)CC1 ZINC000130412540 138341213 /nfs/dbraw/zinc/34/12/13/138341213.db2.gz DOGPFWGKDOVAAE-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM C[C@@H]1CN(C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)CCO1 ZINC000130450335 138341452 /nfs/dbraw/zinc/34/14/52/138341452.db2.gz KLVFZJQKKDMIQE-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CCn1c(CNC(=O)CNc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000078496314 217063767 /nfs/dbraw/zinc/06/37/67/217063767.db2.gz FKOPSZXDDVNZHG-UHFFFAOYSA-N -1 1 336.377 1.597 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000262214229 139260538 /nfs/dbraw/zinc/26/05/38/139260538.db2.gz JIPBJLONVHDQKN-BJOHPYRUSA-N -1 1 336.348 1.597 20 5 EDBDMM C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CCC(=O)[O-] ZINC000262639293 139292258 /nfs/dbraw/zinc/29/22/58/139292258.db2.gz IQBQEDXKQYYZOM-QMMMGPOBSA-N -1 1 329.740 1.982 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000555986639 306207584 /nfs/dbraw/zinc/20/75/84/306207584.db2.gz VTHLQUBWNJSDJE-VIFPVBQESA-N -1 1 349.265 1.879 20 5 EDBDMM O=C([C@H]1CCCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1)N1CCOCC1 ZINC000331452539 141031935 /nfs/dbraw/zinc/03/19/35/141031935.db2.gz MPILHLLPXILZQU-ZDUSSCGKSA-N -1 1 349.387 1.371 20 5 EDBDMM O=C(NCCc1cnc(C2CC2)nc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000339730644 142136273 /nfs/dbraw/zinc/13/62/73/142136273.db2.gz IGJKXCRCRDIUSS-UHFFFAOYSA-N -1 1 329.316 1.335 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](CO)C2)s1 ZINC000344954706 143030485 /nfs/dbraw/zinc/03/04/85/143030485.db2.gz FVLARIJEBFNRHY-UWVGGRQHSA-N -1 1 334.419 1.733 20 5 EDBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)C12CCC2 ZINC000416566822 304332428 /nfs/dbraw/zinc/33/24/28/304332428.db2.gz VIAOFCLXXHIBRD-IUCAKERBSA-N -1 1 332.403 1.892 20 5 EDBDMM CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000361213178 152337825 /nfs/dbraw/zinc/33/78/25/152337825.db2.gz XXISZVPCLHFWTK-LLVKDONJSA-N -1 1 332.364 1.728 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000361357858 152370899 /nfs/dbraw/zinc/37/08/99/152370899.db2.gz ZICACJGTIYWGBT-UHFFFAOYSA-N -1 1 342.311 1.184 20 5 EDBDMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)o1 ZINC000359088939 162289211 /nfs/dbraw/zinc/28/92/11/162289211.db2.gz CRUOYRIGIBPFAH-UHFFFAOYSA-N -1 1 346.342 1.514 20 5 EDBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)nn2C)n1 ZINC000193227965 267841475 /nfs/dbraw/zinc/84/14/75/267841475.db2.gz WJYGNBUUWNIWAD-UHFFFAOYSA-N -1 1 347.360 1.921 20 5 EDBDMM C[C@H](CCCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275009243 268263170 /nfs/dbraw/zinc/26/31/70/268263170.db2.gz POSAJDACQCUIIR-MRVPVSSYSA-N -1 1 334.325 1.513 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@H](C)C[C@H]2C)c([N+](=O)[O-])n1 ZINC000330457015 281629115 /nfs/dbraw/zinc/62/91/15/281629115.db2.gz PZYXLUAMILOARI-HBNTYKKESA-N -1 1 330.410 1.914 20 5 EDBDMM CO[C@](C)(C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000291658288 289140823 /nfs/dbraw/zinc/14/08/23/289140823.db2.gz IXSKMCTZVSTFTR-CYBMUJFWSA-N -1 1 332.353 1.827 20 5 EDBDMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000186956133 300246986 /nfs/dbraw/zinc/24/69/86/300246986.db2.gz XTOCCTRTQMYJLA-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM C[C@H](O)CC[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000295608977 303241225 /nfs/dbraw/zinc/24/12/25/303241225.db2.gz NRJFCVXLENLSET-LURJTMIESA-N -1 1 343.188 1.951 20 5 EDBDMM COC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCOCC1 ZINC000610958043 450391853 /nfs/dbraw/zinc/39/18/53/450391853.db2.gz MFZRFFNENAVVSR-UHFFFAOYSA-N -1 1 336.391 1.130 20 5 EDBDMM COc1ccc(NC(=O)CN(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000430670442 305062102 /nfs/dbraw/zinc/06/21/02/305062102.db2.gz NDFHVFUZQDLZAR-UHFFFAOYSA-N -1 1 325.321 1.339 20 5 EDBDMM CCc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000443150508 305236051 /nfs/dbraw/zinc/23/60/51/305236051.db2.gz BMGAXHHSMFAZLH-UHFFFAOYSA-N -1 1 346.390 1.815 20 5 EDBDMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000537123688 306026014 /nfs/dbraw/zinc/02/60/14/306026014.db2.gz BYNRHLMLYWJCHH-SNVBAGLBSA-N -1 1 332.320 1.136 20 5 EDBDMM COC1CCN(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000080284693 441158189 /nfs/dbraw/zinc/15/81/89/441158189.db2.gz VHNMRYSYWVJOBR-UHFFFAOYSA-N -1 1 349.434 1.045 20 5 EDBDMM Cn1c(CNC(=O)CCOc2ccccc2[N+](=O)[O-])n[n-]c1=S ZINC000067049983 441600780 /nfs/dbraw/zinc/60/07/80/441600780.db2.gz RFCBHKOUIZMTNR-UHFFFAOYSA-N -1 1 337.361 1.471 20 5 EDBDMM C[C@H](O)C[C@H](C)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000120771060 442130520 /nfs/dbraw/zinc/13/05/20/442130520.db2.gz KBRXLRYAGIEZGD-IUCAKERBSA-N -1 1 336.797 1.934 20 5 EDBDMM Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(Cl)ccc1[O-] ZINC000188368210 442743624 /nfs/dbraw/zinc/74/36/24/442743624.db2.gz WFQYOSMCWLAFHG-UHFFFAOYSA-N -1 1 325.712 1.883 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190619396 443150364 /nfs/dbraw/zinc/15/03/64/443150364.db2.gz LCTDIOILISQEPC-FBIMIBRVSA-N -1 1 330.337 1.580 20 5 EDBDMM O=c1ccn(Cc2nc(-c3ccc([O-])cc3F)no2)cc1[N+](=O)[O-] ZINC000350842882 319073966 /nfs/dbraw/zinc/07/39/66/319073966.db2.gz PVRBAFACGQQORZ-UHFFFAOYSA-N -1 1 332.247 1.700 20 5 EDBDMM C[C@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000282449214 443342641 /nfs/dbraw/zinc/34/26/41/443342641.db2.gz HDRAHUDPPHLIKM-VXNVDRBHSA-N -1 1 347.780 1.194 20 5 EDBDMM CCCN1C[C@H](C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1=O ZINC000420710061 319638874 /nfs/dbraw/zinc/63/88/74/319638874.db2.gz UJAWERHJBGCDGU-VIFPVBQESA-N -1 1 347.418 1.193 20 5 EDBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000443713845 320109986 /nfs/dbraw/zinc/10/99/86/320109986.db2.gz BBMHWKGPZBXSGA-ZWNOBZJWSA-N -1 1 344.389 1.602 20 5 EDBDMM O=c1nc([C@@H]2CCCCN2CCOc2ccccc2[N+](=O)[O-])[nH][n-]1 ZINC000289043245 444040862 /nfs/dbraw/zinc/04/08/62/444040862.db2.gz BPUBZFRCMSAGOS-LBPRGKRZSA-N -1 1 333.348 1.612 20 5 EDBDMM CCOC(=O)[C@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000344162585 444814499 /nfs/dbraw/zinc/81/44/99/444814499.db2.gz ILKALORXLYBUBX-SFYZADRCSA-N -1 1 336.391 1.522 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000338899030 444919963 /nfs/dbraw/zinc/91/99/63/444919963.db2.gz GMKNCQITJQAEOJ-MRVPVSSYSA-N -1 1 326.334 1.634 20 5 EDBDMM C[C@]1(c2cccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)c2)NC(=O)NC1=O ZINC000342936931 444953951 /nfs/dbraw/zinc/95/39/51/444953951.db2.gz OQMWNDOKOWEQPC-OAHLLOKOSA-N -1 1 343.299 1.230 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccncc2)c([N+](=O)[O-])n1 ZINC000339040532 445002544 /nfs/dbraw/zinc/00/25/44/445002544.db2.gz GCIKKFUOJWQOCD-JTQLQIEISA-N -1 1 339.377 1.116 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000330624801 445066756 /nfs/dbraw/zinc/06/67/56/445066756.db2.gz GRVWMODXDQKCLE-GHMZBOCLSA-N -1 1 346.409 1.293 20 5 EDBDMM NC(=O)[C@@H]1CCO[C@@H]1C1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000339176874 445074436 /nfs/dbraw/zinc/07/44/36/445074436.db2.gz UMOOGEIEJDHGJH-GDBMZVCRSA-N -1 1 349.387 1.403 20 5 EDBDMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000343174482 445114977 /nfs/dbraw/zinc/11/49/77/445114977.db2.gz MPXXZNUQGPMXLT-UHFFFAOYSA-N -1 1 337.313 1.200 20 5 EDBDMM Cc1nc(C=Cc2cc(O)ccc2[N+](=O)[O-])[nH]c(=O)c1CC(=O)[O-] ZINC000349113665 445511421 /nfs/dbraw/zinc/51/14/21/445511421.db2.gz SNMGPMACCVJEEP-DJWKRKHSSA-N -1 1 331.284 1.902 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)o1 ZINC000357238291 445499929 /nfs/dbraw/zinc/49/99/29/445499929.db2.gz XIWDCUAYAHLNAX-UHFFFAOYSA-N -1 1 340.361 1.636 20 5 EDBDMM Cc1noc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000360259285 445662561 /nfs/dbraw/zinc/66/25/61/445662561.db2.gz ZGHZGWOWRVWSDY-MRVPVSSYSA-N -1 1 326.334 1.634 20 5 EDBDMM O=C1CCC[C@@H](C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])N1 ZINC000433446930 446573816 /nfs/dbraw/zinc/57/38/16/446573816.db2.gz JSDGVPSDISATRJ-QMMMGPOBSA-N -1 1 347.780 1.195 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC ZINC000452079709 447812650 /nfs/dbraw/zinc/81/26/50/447812650.db2.gz IAJNTBXMHNOPGT-QMMMGPOBSA-N -1 1 335.769 1.051 20 5 EDBDMM Cc1nc([C@H](C)NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])n[nH]1 ZINC000570335109 447988945 /nfs/dbraw/zinc/98/89/45/447988945.db2.gz QSJLMOMZAIYCNJ-YFKPBYRVSA-N -1 1 325.712 1.871 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CO)CC1CC1 ZINC000611109915 449171523 /nfs/dbraw/zinc/17/15/23/449171523.db2.gz KRASXZAORFUWTP-SECBINFHSA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@@H]1CCCCN1CCNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000603976866 449167467 /nfs/dbraw/zinc/16/74/67/449167467.db2.gz JSZSULLTWSDYHF-LLVKDONJSA-N -1 1 343.405 1.453 20 5 EDBDMM CCC[C@H](C(=O)OCC)n1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000598107328 449240207 /nfs/dbraw/zinc/24/02/07/449240207.db2.gz BDRRUXIFQFNUKY-LLVKDONJSA-N -1 1 349.347 2.276 20 5 EDBDMM CCn1cc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C(C)C)cn1 ZINC000593836255 449225352 /nfs/dbraw/zinc/22/53/52/449225352.db2.gz UZDUNCVWMJBTGV-UHFFFAOYSA-N -1 1 333.348 1.963 20 5 EDBDMM COC(=O)c1ccnc(N2CCC(c3n[n-]c(=O)o3)CC2)c1[N+](=O)[O-] ZINC000598626210 449504087 /nfs/dbraw/zinc/50/40/87/449504087.db2.gz URNBAWNBMDTCJA-UHFFFAOYSA-N -1 1 349.303 1.249 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC(=O)C2(C)CCCC2)c([N+](=O)[O-])n1 ZINC000599472720 450002828 /nfs/dbraw/zinc/00/28/28/450002828.db2.gz NGRVQBBCTSTZRR-UHFFFAOYSA-N -1 1 344.393 1.239 20 5 EDBDMM CCc1cnc(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000610268061 450176215 /nfs/dbraw/zinc/17/62/15/450176215.db2.gz WFRBECGZTFGMSH-UHFFFAOYSA-N -1 1 342.402 1.530 20 5 EDBDMM CCOC(=O)CCN(CC1CC1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618380776 450187092 /nfs/dbraw/zinc/18/70/92/450187092.db2.gz BSUVXYUZPIBJGI-UHFFFAOYSA-N -1 1 337.332 1.501 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H]1COc2ccccc21 ZINC000152912104 533749656 /nfs/dbraw/zinc/74/96/56/533749656.db2.gz FQNADRPODQUCEG-ZANVPECISA-N -1 1 329.312 1.990 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCC[C@H]2CCCCO2)c([N+](=O)[O-])n1 ZINC000354723086 517880665 /nfs/dbraw/zinc/88/06/65/517880665.db2.gz XEZJRYPYVJYCCZ-LLVKDONJSA-N -1 1 346.409 1.439 20 5 EDBDMM CC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)nc1C ZINC000345110253 534846664 /nfs/dbraw/zinc/84/66/64/534846664.db2.gz TXCYLYUKCVNCEG-UHFFFAOYSA-N -1 1 330.300 1.531 20 5 EDBDMM CCC1(CC)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000194019754 529079246 /nfs/dbraw/zinc/07/92/46/529079246.db2.gz PHAPQUSLDXBFDY-HSZRJFAPSA-N -1 1 341.389 1.459 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCN(C(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000739376583 578279471 /nfs/dbraw/zinc/27/94/71/578279471.db2.gz TWFDVIAAIMBJES-MRVPVSSYSA-N -1 1 325.325 1.095 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOC[C@H]1CCOC1 ZINC000731677184 578678522 /nfs/dbraw/zinc/67/85/22/578678522.db2.gz RNWUMAWGBNABCI-JTQLQIEISA-N -1 1 348.352 1.065 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@@H](CCO)C1CC1 ZINC000751443599 579807336 /nfs/dbraw/zinc/80/73/36/579807336.db2.gz SPFMGUOUPPAKFY-JTQLQIEISA-N -1 1 334.781 1.688 20 5 EDBDMM CCc1[nH]nc(C(=O)[N-]N2CCc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000768185742 580208473 /nfs/dbraw/zinc/20/84/73/580208473.db2.gz VAJAITBTTUAODS-UHFFFAOYSA-N -1 1 329.316 1.224 20 5 EDBDMM C[C@@H]1CN(C(=O)COC(=O)c2cc([O-])cc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000769047983 580226412 /nfs/dbraw/zinc/22/64/12/580226412.db2.gz LNYOKISZYVQNOG-NXEZZACHSA-N -1 1 338.316 1.093 20 5 EDBDMM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000775544379 580393295 /nfs/dbraw/zinc/39/32/95/580393295.db2.gz FJIUDEOUSDPDQN-QMMMGPOBSA-N -1 1 336.739 1.781 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563119 580420805 /nfs/dbraw/zinc/42/08/05/580420805.db2.gz GWTPFOUJQYELKD-GCLPIYDQSA-N -1 1 346.372 1.438 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)CCc3cccc([N+](=O)[O-])c3)ccnc1-2 ZINC000791167488 580785633 /nfs/dbraw/zinc/78/56/33/580785633.db2.gz QLEGEEOSHQLTLV-UHFFFAOYSA-N -1 1 325.328 1.821 20 5 EDBDMM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC(N2CCCC2)C1 ZINC000898599307 591431600 /nfs/dbraw/zinc/43/16/00/591431600.db2.gz OCTXACAHDIHOLD-UHFFFAOYSA-N -1 1 325.752 1.874 20 5 EDBDMM O=C([N-]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1)C(F)(F)F ZINC000811856629 593484343 /nfs/dbraw/zinc/48/43/43/593484343.db2.gz RPJPLZCXGAULEP-VIFPVBQESA-N -1 1 332.282 1.885 20 5 EDBDMM COC(OC)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000816489906 593526829 /nfs/dbraw/zinc/52/68/29/593526829.db2.gz GSZHPRVYYCTRPR-ZDUSSCGKSA-N -1 1 347.327 1.785 20 5 EDBDMM CC(C)(C)C(=O)NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1 ZINC000819899362 593775582 /nfs/dbraw/zinc/77/55/82/593775582.db2.gz SUAYQMLACCPEHW-UHFFFAOYSA-N -1 1 333.352 1.349 20 5 EDBDMM C[C@@H](O)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000820479745 593822644 /nfs/dbraw/zinc/82/26/44/593822644.db2.gz BRJHNBYFISTPDN-SECBINFHSA-N -1 1 341.331 1.835 20 5 EDBDMM C[C@@H](O)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000820479745 593822645 /nfs/dbraw/zinc/82/26/45/593822645.db2.gz BRJHNBYFISTPDN-SECBINFHSA-N -1 1 341.331 1.835 20 5 EDBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822472446 594053683 /nfs/dbraw/zinc/05/36/83/594053683.db2.gz TYZBVXBGTBOMDL-UHFFFAOYSA-N -1 1 341.287 1.230 20 5 EDBDMM Cc1ncc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822472446 594053685 /nfs/dbraw/zinc/05/36/85/594053685.db2.gz TYZBVXBGTBOMDL-UHFFFAOYSA-N -1 1 341.287 1.230 20 5 EDBDMM Cc1ncsc1CN(C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822481750 594055316 /nfs/dbraw/zinc/05/53/16/594055316.db2.gz FAGDBYYICIVPKJ-UHFFFAOYSA-N -1 1 332.349 1.571 20 5 EDBDMM Cc1ncsc1CN(C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822481750 594055317 /nfs/dbraw/zinc/05/53/17/594055317.db2.gz FAGDBYYICIVPKJ-UHFFFAOYSA-N -1 1 332.349 1.571 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCC[C@H]1CCCC[C@@H]1O ZINC000823624547 594222549 /nfs/dbraw/zinc/22/25/49/594222549.db2.gz CIDSFOREXKBGJI-PWSUYJOCSA-N -1 1 347.379 1.913 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCC[C@H]1CCCC[C@@H]1O ZINC000823624547 594222550 /nfs/dbraw/zinc/22/25/50/594222550.db2.gz CIDSFOREXKBGJI-PWSUYJOCSA-N -1 1 347.379 1.913 20 5 EDBDMM CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C1 ZINC000827876622 594295170 /nfs/dbraw/zinc/29/51/70/594295170.db2.gz ZTYUHTWCVRSBTL-SECBINFHSA-N -1 1 333.304 1.295 20 5 EDBDMM CN(Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)(C)CNC(=O)[O-] ZINC000828355994 594399874 /nfs/dbraw/zinc/39/98/74/594399874.db2.gz TUFRUSWGBOXMRZ-UHFFFAOYSA-N -1 1 338.364 1.419 20 5 EDBDMM C[C@@H]1CN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C[C@@H]1C(=O)[O-] ZINC000828433716 594419073 /nfs/dbraw/zinc/41/90/73/594419073.db2.gz YISPHYCHHIITPZ-MFKMUULPSA-N -1 1 333.344 1.136 20 5 EDBDMM C[C@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(=O)[O-] ZINC000828462280 594427366 /nfs/dbraw/zinc/42/73/66/594427366.db2.gz IVRRIHZUELDVFK-JOYOIKCWSA-N -1 1 332.316 1.797 20 5 EDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2nccn21 ZINC000832427092 594749651 /nfs/dbraw/zinc/74/96/51/594749651.db2.gz QNZYOVSYEKEHRD-WCBMZHEXSA-N -1 1 340.336 1.915 20 5 EDBDMM O=C([O-])c1cc(C(=O)N[C@H]2CCc3nc[nH]c3C2)cc([N+](=O)[O-])c1 ZINC000833296250 594822167 /nfs/dbraw/zinc/82/21/67/594822167.db2.gz PCHNGQKVRUCOPG-JTQLQIEISA-N -1 1 330.300 1.303 20 5 EDBDMM CCc1nc([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000833674855 594903499 /nfs/dbraw/zinc/90/34/99/594903499.db2.gz WWPBKJDWJOHQFT-ZETCQYMHSA-N -1 1 333.304 1.465 20 5 EDBDMM O=C(OCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000841536949 594917871 /nfs/dbraw/zinc/91/78/71/594917871.db2.gz HABZVRMNDYNSOK-UHFFFAOYSA-N -1 1 348.764 1.480 20 5 EDBDMM Cc1cc(C(=O)N2CCN(CCC(=O)[O-])C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000833742319 594920053 /nfs/dbraw/zinc/92/00/53/594920053.db2.gz JNTRBNHZEXPUCC-LBPRGKRZSA-N -1 1 335.360 1.524 20 5 EDBDMM C[C@@]1(O)C[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000841575149 594925716 /nfs/dbraw/zinc/92/57/16/594925716.db2.gz ZOTYUQYHLUBAEC-JCJUMFQOSA-N -1 1 338.744 1.579 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(C(=O)N(C)C[C@H](C)c2nn[n-]n2)cc1Cl ZINC000836784652 594997661 /nfs/dbraw/zinc/99/76/61/594997661.db2.gz MTLWKCBCSRWACD-QMMMGPOBSA-N -1 1 338.755 1.945 20 5 EDBDMM COCc1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821695732 607167129 /nfs/dbraw/zinc/16/71/29/607167129.db2.gz GENXFKHDUPUDRS-UHFFFAOYSA-N -1 1 341.331 1.928 20 5 EDBDMM COCc1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821695732 607167130 /nfs/dbraw/zinc/16/71/30/607167130.db2.gz GENXFKHDUPUDRS-UHFFFAOYSA-N -1 1 341.331 1.928 20 5 EDBDMM COC(=O)c1n[nH]c2ccc(NC(=O)c3ccc([N+](=O)[O-])[n-]3)cc21 ZINC000918042602 697125269 /nfs/dbraw/zinc/12/52/69/697125269.db2.gz OYHLVDSNYWSLMQ-UHFFFAOYSA-N -1 1 329.272 1.838 20 5 EDBDMM CC(C)[C@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000559616274 306257075 /nfs/dbraw/zinc/25/70/75/306257075.db2.gz PJSXQZLAQPKPGR-DGCLKSJQSA-N -1 1 343.405 1.719 20 5 EDBDMM C[C@H](CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000183422186 235065065 /nfs/dbraw/zinc/06/50/65/235065065.db2.gz YYQCBTGTSHLYTD-MRVPVSSYSA-N -1 1 338.755 1.566 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000565827467 306392334 /nfs/dbraw/zinc/39/23/34/306392334.db2.gz NNNVOBUICYNYJU-NSHDSACASA-N -1 1 330.348 1.745 20 5 EDBDMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000270610950 140134148 /nfs/dbraw/zinc/13/41/48/140134148.db2.gz YDDZEHNGFXNPMK-SSDOTTSWSA-N -1 1 343.340 1.454 20 5 EDBDMM Cc1cnc(CC[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1 ZINC000340099416 142265619 /nfs/dbraw/zinc/26/56/19/142265619.db2.gz PWQXFNYEPYTQBG-UHFFFAOYSA-N -1 1 328.375 1.276 20 5 EDBDMM CCOC1(C[N-]S(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])CCCC1 ZINC000339028655 286008784 /nfs/dbraw/zinc/00/87/84/286008784.db2.gz CHELFKXZBQOKDC-UHFFFAOYSA-N -1 1 346.409 1.439 20 5 EDBDMM CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000353414764 149396320 /nfs/dbraw/zinc/39/63/20/149396320.db2.gz LABBHCJLKYMRCQ-SNVBAGLBSA-N -1 1 336.348 1.074 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])n1 ZINC000360864920 152234259 /nfs/dbraw/zinc/23/42/59/152234259.db2.gz LZBAGDUREFTAPA-GHMZBOCLSA-N -1 1 344.393 1.047 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371616325 156030870 /nfs/dbraw/zinc/03/08/70/156030870.db2.gz MTLXRLDICQJLIT-SWLSCSKDSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN[C@@H](c2cccc(F)c2)C1 ZINC000374344374 157253827 /nfs/dbraw/zinc/25/38/27/157253827.db2.gz DSOOQPMLQGOPQM-CYBMUJFWSA-N -1 1 346.318 1.621 20 5 EDBDMM Cc1cccc2nc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)n(C)c21 ZINC000158536046 225036539 /nfs/dbraw/zinc/03/65/39/225036539.db2.gz WRLCECDVCKGZJW-UHFFFAOYSA-N -1 1 341.327 1.821 20 5 EDBDMM C[C@@H](CCCO)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281277015 273456113 /nfs/dbraw/zinc/45/61/13/273456113.db2.gz WSZOQHACPOVYDN-ZETCQYMHSA-N -1 1 340.760 1.827 20 5 EDBDMM CCc1ccc([C@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000288433515 288484936 /nfs/dbraw/zinc/48/49/36/288484936.db2.gz RYNLLAJKKQSYCO-CQSZACIVSA-N -1 1 331.328 1.721 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000293710138 303007129 /nfs/dbraw/zinc/00/71/29/303007129.db2.gz DORSVBRXFBHAFS-LLVKDONJSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C(NCCc1cnc(C2CC2)nc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445135385 305257210 /nfs/dbraw/zinc/25/72/10/305257210.db2.gz KLUDGTSZWMLGKF-UHFFFAOYSA-N -1 1 329.316 1.335 20 5 EDBDMM CC1(C)COC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451978098 305375796 /nfs/dbraw/zinc/37/57/96/305375796.db2.gz OGZRURHLDHVUGE-JTQLQIEISA-N -1 1 334.781 1.952 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc2c(c1)CCO2 ZINC000521852885 305793585 /nfs/dbraw/zinc/79/35/85/305793585.db2.gz WVVRGPPSAFAEHL-UHFFFAOYSA-N -1 1 349.368 1.446 20 5 EDBDMM CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000106447080 441344497 /nfs/dbraw/zinc/34/44/97/441344497.db2.gz RIPPPWBHPURJMO-SNVBAGLBSA-N -1 1 349.796 1.427 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)ccc1[O-] ZINC000116710464 441837145 /nfs/dbraw/zinc/83/71/45/441837145.db2.gz MNAZWEDSTQNZAW-UHFFFAOYSA-N -1 1 348.287 1.563 20 5 EDBDMM O=C(NCCc1nc2cc(F)ccc2[nH]1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000176153879 442183304 /nfs/dbraw/zinc/18/33/04/442183304.db2.gz NPWPLVZXQBEYNW-UHFFFAOYSA-N -1 1 345.290 1.683 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCN1CC(F)F ZINC000193784826 442786502 /nfs/dbraw/zinc/78/65/02/442786502.db2.gz JMIKTYJEJPYAHY-SNVBAGLBSA-N -1 1 344.318 1.497 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC(CN2CCOCC2)CC1 ZINC000194747978 442948070 /nfs/dbraw/zinc/94/80/70/442948070.db2.gz YKAGXUHGAJBEBQ-UHFFFAOYSA-N -1 1 349.387 1.485 20 5 EDBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299409146 444038874 /nfs/dbraw/zinc/03/88/74/444038874.db2.gz OGQARSUEHCVZEI-VXGBXAGGSA-N -1 1 343.380 1.639 20 5 EDBDMM CCOc1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(C)n(C)n2)cc1OC ZINC000293647782 444079076 /nfs/dbraw/zinc/07/90/76/444079076.db2.gz HZPJQZLSYYGLNB-UHFFFAOYSA-N -1 1 335.320 1.691 20 5 EDBDMM Cc1c(C(=O)Nc2ccncc2[O-])nnn1-c1cccc([N+](=O)[O-])c1 ZINC000575208074 321519280 /nfs/dbraw/zinc/51/92/80/321519280.db2.gz JWNVBRCKYARZMK-UHFFFAOYSA-N -1 1 340.299 1.259 20 5 EDBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)N(C)c1ccccc1 ZINC000302925144 444231953 /nfs/dbraw/zinc/23/19/53/444231953.db2.gz CHBRWDYYRJVOTB-LLVKDONJSA-N -1 1 330.344 1.950 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCO[C@@H]1C1CC1 ZINC000318326154 444318778 /nfs/dbraw/zinc/31/87/78/444318778.db2.gz TWIAUKLWPSZMDC-GXFFZTMASA-N -1 1 330.337 1.580 20 5 EDBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ncnn2-c2ccccc2)n1 ZINC000342479334 444709480 /nfs/dbraw/zinc/70/94/80/444709480.db2.gz LYRMDXMFGSIOKI-UHFFFAOYSA-N -1 1 327.304 1.066 20 5 EDBDMM O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000339099312 445032857 /nfs/dbraw/zinc/03/28/57/445032857.db2.gz KWTBBGVZEUORFT-SECBINFHSA-N -1 1 347.293 1.801 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2nc(C)c(C)s2)c([N+](=O)[O-])n1 ZINC000339040000 445001398 /nfs/dbraw/zinc/00/13/98/445001398.db2.gz NIBAZQOSRZZJEQ-UHFFFAOYSA-N -1 1 345.406 1.363 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2cccc(C)c2)c([N+](=O)[O-])n1 ZINC000339048875 445009081 /nfs/dbraw/zinc/00/90/81/445009081.db2.gz QFDRLIVEKYXVAO-UHFFFAOYSA-N -1 1 338.389 1.641 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c([N+](=O)[O-])n1 ZINC000339048647 445009216 /nfs/dbraw/zinc/00/92/16/445009216.db2.gz VYSUBVPICDBZDM-NSHDSACASA-N -1 1 338.389 1.893 20 5 EDBDMM O=C(NCc1ccnc(OC(F)F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356999176 445368801 /nfs/dbraw/zinc/36/88/01/445368801.db2.gz JTYYNWNQDIXXSR-UHFFFAOYSA-N -1 1 340.242 1.622 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000362815511 445562730 /nfs/dbraw/zinc/56/27/30/445562730.db2.gz VKLVQMCOMDFAPW-CYBMUJFWSA-N -1 1 342.311 1.231 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000362941731 445618935 /nfs/dbraw/zinc/61/89/35/445618935.db2.gz LQCJOXXTNWOOPC-UONOGXRCSA-N -1 1 349.387 1.531 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c([N+](=O)[O-])n1 ZINC000356128264 445636227 /nfs/dbraw/zinc/63/62/27/445636227.db2.gz FLVQTNATQWNXBT-LLVKDONJSA-N -1 1 328.394 1.812 20 5 EDBDMM CC(C)[C@H](C(=O)[O-])[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000399575328 325748819 /nfs/dbraw/zinc/74/88/19/325748819.db2.gz JYNSBAJHOGCPTK-KCJUWKMLSA-N -1 1 348.352 1.758 20 5 EDBDMM O=C(N[C@@H]1C[C@H](CO)c2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000365075451 446008822 /nfs/dbraw/zinc/00/88/22/446008822.db2.gz YDPBPJFPRJMFAA-YMTOWFKASA-N -1 1 329.312 1.646 20 5 EDBDMM Cc1nn(-c2ccccc2)c(=NC(=O)c2ccc([N+](=O)[O-])cc2[O-])[nH]1 ZINC000584257963 326229540 /nfs/dbraw/zinc/22/95/40/326229540.db2.gz UBWGWFGTGHBAFW-UHFFFAOYSA-N -1 1 339.311 1.864 20 5 EDBDMM O=C([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCCO2)cc([N+](=O)[O-])c1 ZINC000362286096 446306454 /nfs/dbraw/zinc/30/64/54/446306454.db2.gz MFYRRCYGWTVMHG-LBPRGKRZSA-N -1 1 344.345 1.604 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375017512 446516591 /nfs/dbraw/zinc/51/65/91/446516591.db2.gz ONHQMQZSTLBBCE-UHFFFAOYSA-N -1 1 333.275 1.178 20 5 EDBDMM O=c1[n-]nc(C2CCN(Cc3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)o1 ZINC000450920291 447618344 /nfs/dbraw/zinc/61/83/44/447618344.db2.gz VPCGYUNUXQADIX-UHFFFAOYSA-N -1 1 344.331 1.939 20 5 EDBDMM CCC1(CC)[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C[C@@H]1OC ZINC000531684879 448129005 /nfs/dbraw/zinc/12/90/05/448129005.db2.gz CAPFHALJSOLNBQ-RYUDHWBXSA-N -1 1 343.405 1.862 20 5 EDBDMM CC[C@@H](C)N(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)CC(=O)[O-] ZINC000514947370 448231643 /nfs/dbraw/zinc/23/16/43/448231643.db2.gz YGWZEWGQQQKCAY-LLVKDONJSA-N -1 1 344.389 1.554 20 5 EDBDMM C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000567501258 448704908 /nfs/dbraw/zinc/70/49/08/448704908.db2.gz JYWLTAHPGCTPIZ-JTNHKYCSSA-N -1 1 335.360 1.964 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn(C[C@@H]3CCCO3)c2)n1 ZINC000587325743 448836867 /nfs/dbraw/zinc/83/68/67/448836867.db2.gz SMDAVCPOUKRTAJ-NSHDSACASA-N -1 1 347.331 1.896 20 5 EDBDMM CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000597856193 449125825 /nfs/dbraw/zinc/12/58/25/449125825.db2.gz GEXRBFCPBASPDU-ZDUSSCGKSA-N -1 1 331.328 1.371 20 5 EDBDMM O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-][C@@H](CO)CCF ZINC000593657320 449133884 /nfs/dbraw/zinc/13/38/84/449133884.db2.gz QNRDTNLZBCRCAH-MRVPVSSYSA-N -1 1 326.733 1.247 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC2(C3CC3)CCC2)c([N+](=O)[O-])n1 ZINC000611107735 449171101 /nfs/dbraw/zinc/17/11/01/449171101.db2.gz HPPTUZBKKDIQDT-UHFFFAOYSA-N -1 1 328.394 1.670 20 5 EDBDMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1F ZINC000604513330 449242744 /nfs/dbraw/zinc/24/27/44/449242744.db2.gz SORIZNGYBVDJEI-CYBMUJFWSA-N -1 1 342.290 1.766 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cnccc2C)c([N+](=O)[O-])n1 ZINC000611292064 449252490 /nfs/dbraw/zinc/25/24/90/449252490.db2.gz LOMNESNCIFOIHW-SNVBAGLBSA-N -1 1 339.377 1.554 20 5 EDBDMM COc1cccc2c1CN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000590876600 449329881 /nfs/dbraw/zinc/32/98/81/449329881.db2.gz ACAPXUWFPDFKLF-UHFFFAOYSA-N -1 1 329.312 1.903 20 5 EDBDMM NC(=O)CC1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CCCCC1 ZINC000598470721 449409472 /nfs/dbraw/zinc/40/94/72/449409472.db2.gz HMKVBUZCEKHSGK-UHFFFAOYSA-N -1 1 336.348 1.251 20 5 EDBDMM Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(C(C)(C)C(=O)[O-])CC1 ZINC000600874751 449580850 /nfs/dbraw/zinc/58/08/50/449580850.db2.gz MRDYTCMAVVWIAI-UHFFFAOYSA-N -1 1 335.360 1.524 20 5 EDBDMM C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](CC(F)(F)F)O1 ZINC000598779186 449597562 /nfs/dbraw/zinc/59/75/62/449597562.db2.gz HFMVJNIOIFXAHC-IONNQARKSA-N -1 1 349.265 1.877 20 5 EDBDMM Cn1ncc2c1CCC[C@H]2[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-] ZINC000594744892 449662032 /nfs/dbraw/zinc/66/20/32/449662032.db2.gz DEZAZYQRTYKVQN-SNVBAGLBSA-N -1 1 337.361 1.079 20 5 EDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594799186 449709502 /nfs/dbraw/zinc/70/95/02/449709502.db2.gz PXUSRTVLUPMHMH-GMSGAONNSA-N -1 1 341.324 1.310 20 5 EDBDMM CO[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000595366962 450080128 /nfs/dbraw/zinc/08/01/28/450080128.db2.gz WCXBOOXRUOXNFR-LLVKDONJSA-N -1 1 329.378 1.473 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)Cc1n[n-]c(=O)o1 ZINC000595546321 450221178 /nfs/dbraw/zinc/22/11/78/450221178.db2.gz DXICQDORWSANIS-UHFFFAOYSA-N -1 1 335.320 1.452 20 5 EDBDMM COc1c(F)cc(S(=O)(=O)[N-][C@@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000603422624 450294749 /nfs/dbraw/zinc/29/47/49/450294749.db2.gz HFPJKZDVYVNNNK-YFKPBYRVSA-N -1 1 328.268 1.674 20 5 EDBDMM CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cn1 ZINC000269074071 485693051 /nfs/dbraw/zinc/69/30/51/485693051.db2.gz XXCRTVKQTMRWSH-UHFFFAOYSA-N -1 1 335.320 1.670 20 5 EDBDMM COCCN(CCC(=O)[O-])C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000737798407 578562551 /nfs/dbraw/zinc/56/25/51/578562551.db2.gz NBMIBTKGBJYMEF-UHFFFAOYSA-N -1 1 336.304 1.034 20 5 EDBDMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)c2cc(F)cc([N+](=O)[O-])c2)c1C ZINC000734709620 578833154 /nfs/dbraw/zinc/83/31/54/578833154.db2.gz UQXLICYKZLVXTI-UHFFFAOYSA-N -1 1 342.308 1.193 20 5 EDBDMM CCc1[nH]nc(C(=O)N2C[C@@H](C)N(C(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000739540299 579216554 /nfs/dbraw/zinc/21/65/54/579216554.db2.gz RQAJAEZZPMGCBE-HTQZYQBOSA-N -1 1 325.325 1.093 20 5 EDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1=O ZINC000748657379 579696620 /nfs/dbraw/zinc/69/66/20/579696620.db2.gz QQGBMBDNUULSMF-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770104968 580252983 /nfs/dbraw/zinc/25/29/83/580252983.db2.gz NGHLGKZGMWUKSH-UHFFFAOYSA-N -1 1 347.287 1.446 20 5 EDBDMM O=C(C=Cc1ccc([N+](=O)[O-])cc1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000776563121 580420883 /nfs/dbraw/zinc/42/08/83/580420883.db2.gz GWTPFOUJQYELKD-MJRJWQSSSA-N -1 1 346.372 1.438 20 5 EDBDMM C[C@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1 ZINC000780067394 580510937 /nfs/dbraw/zinc/51/09/37/580510937.db2.gz GIYGXLLVJALZSA-TVQRCGJNSA-N -1 1 338.316 1.141 20 5 EDBDMM CCc1[nH]nc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000737246522 593072409 /nfs/dbraw/zinc/07/24/09/593072409.db2.gz VDBOEULFWWLTRL-UHFFFAOYSA-N -1 1 332.316 1.851 20 5 EDBDMM COC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814984278 593608852 /nfs/dbraw/zinc/60/88/52/593608852.db2.gz VQRRQJFFXKOCBD-YFKPBYRVSA-N -1 1 340.716 1.227 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@@H](O)C1CC1 ZINC000815016853 593609918 /nfs/dbraw/zinc/60/99/18/593609918.db2.gz AYMJJXWBKRMDHX-SNVBAGLBSA-N -1 1 338.744 1.437 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]CCN1CCC1 ZINC000815026259 593610543 /nfs/dbraw/zinc/61/05/43/593610543.db2.gz OUTYGMZCLMVPLG-UHFFFAOYSA-N -1 1 337.760 1.371 20 5 EDBDMM C[C@]1(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])CCCC[C@H]1O ZINC000820623365 593847636 /nfs/dbraw/zinc/84/76/36/593847636.db2.gz NQPXRVRSPADWLR-QMTHXVAHSA-N -1 1 333.352 1.523 20 5 EDBDMM C[C@]1(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])CCCC[C@H]1O ZINC000820623365 593847637 /nfs/dbraw/zinc/84/76/37/593847637.db2.gz NQPXRVRSPADWLR-QMTHXVAHSA-N -1 1 333.352 1.523 20 5 EDBDMM CCOC(=O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821326416 594017715 /nfs/dbraw/zinc/01/77/15/594017715.db2.gz WXJWLTWDRIWYIE-UHFFFAOYSA-N -1 1 346.347 1.554 20 5 EDBDMM Cc1ccccc1OCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822367036 594039402 /nfs/dbraw/zinc/03/94/02/594039402.db2.gz ZKOOQRGPSXNHHQ-UHFFFAOYSA-N -1 1 341.331 1.969 20 5 EDBDMM Cc1ccccc1OCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822367036 594039403 /nfs/dbraw/zinc/03/94/03/594039403.db2.gz ZKOOQRGPSXNHHQ-UHFFFAOYSA-N -1 1 341.331 1.969 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](CO)c1ccccc1 ZINC000823620381 594221932 /nfs/dbraw/zinc/22/19/32/594221932.db2.gz KLTAMFDCALFEOX-NSHDSACASA-N -1 1 341.331 1.358 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](CO)c1ccccc1 ZINC000823620381 594221933 /nfs/dbraw/zinc/22/19/33/594221933.db2.gz KLTAMFDCALFEOX-NSHDSACASA-N -1 1 341.331 1.358 20 5 EDBDMM CC[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)OC ZINC000828048416 594330367 /nfs/dbraw/zinc/33/03/67/594330367.db2.gz BJOOROWAUUYTKW-QMMMGPOBSA-N -1 1 334.325 1.211 20 5 EDBDMM CCC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])COC1 ZINC000832488840 594753853 /nfs/dbraw/zinc/75/38/53/594753853.db2.gz SWKIUCGMVAOXJE-UHFFFAOYSA-N -1 1 334.781 1.953 20 5 EDBDMM CCC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])COC1 ZINC000867360764 595364045 /nfs/dbraw/zinc/36/40/45/595364045.db2.gz HRJYAJKSTQJEDC-UHFFFAOYSA-N -1 1 332.353 1.747 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](O)C1 ZINC000121787771 596519068 /nfs/dbraw/zinc/51/90/68/596519068.db2.gz FXQVFTUIWAYQTP-VHSXEESVSA-N -1 1 332.353 1.563 20 5 EDBDMM CC(C)[C@](C)(CNC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000738766745 603058546 /nfs/dbraw/zinc/05/85/46/603058546.db2.gz OKOLFDOYQQHSBR-HNNXBMFYSA-N -1 1 349.347 1.883 20 5 EDBDMM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nnn[n-]2)nc1 ZINC000823426243 606130633 /nfs/dbraw/zinc/13/06/33/606130633.db2.gz FMQZUIQWWOQADI-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM O=C(OCc1ccc([N+](=O)[O-])cc1F)c1ccc(-c2nn[n-]n2)nc1 ZINC000823426243 606130635 /nfs/dbraw/zinc/13/06/35/606130635.db2.gz FMQZUIQWWOQADI-UHFFFAOYSA-N -1 1 344.262 1.666 20 5 EDBDMM C[C@@H]1CN(CCCNc2nc(C(=O)[O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000563207347 306323595 /nfs/dbraw/zinc/32/35/95/306323595.db2.gz QYBOSPGSLWOSLU-PHIMTYICSA-N -1 1 338.364 1.599 20 5 EDBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)no1 ZINC000264185138 139385273 /nfs/dbraw/zinc/38/52/73/139385273.db2.gz KYWGLPHTUGWWHQ-UHFFFAOYSA-N -1 1 344.324 1.639 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000366528768 287177844 /nfs/dbraw/zinc/17/78/44/287177844.db2.gz FRYKHFWJDMZZKY-IAQYHMDHSA-N -1 1 337.332 1.106 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@]2(CCCOC2)O1 ZINC000366468351 296915413 /nfs/dbraw/zinc/91/54/13/296915413.db2.gz SHFSHWBAGUJHFY-BMIGLBTASA-N -1 1 337.332 1.106 20 5 EDBDMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000279247537 273288338 /nfs/dbraw/zinc/28/83/38/273288338.db2.gz UVWIBJRUCYZJKW-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO1 ZINC000156297713 281319165 /nfs/dbraw/zinc/31/91/65/281319165.db2.gz NXWSXZMZVGQJAI-VIFPVBQESA-N -1 1 332.353 1.970 20 5 EDBDMM C[C@H](O)CCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000289885111 288796910 /nfs/dbraw/zinc/79/69/10/288796910.db2.gz ORBCKMUGBJSCJC-ZETCQYMHSA-N -1 1 340.760 1.827 20 5 EDBDMM CCOC(=O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000290726510 288943431 /nfs/dbraw/zinc/94/34/31/288943431.db2.gz KWTHMCMIOVOJEJ-UHFFFAOYSA-N -1 1 340.716 1.229 20 5 EDBDMM COc1ccc(NC(=O)[C@@H](C)N(C)CCCC(=O)[O-])c([N+](=O)[O-])c1 ZINC000430660512 305061605 /nfs/dbraw/zinc/06/16/05/305061605.db2.gz NYFKNGQITSIYRV-SNVBAGLBSA-N -1 1 339.348 1.727 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000541871193 306048667 /nfs/dbraw/zinc/04/86/67/306048667.db2.gz QIUVHDZJZJAWNO-UHFFFAOYSA-N -1 1 328.375 1.542 20 5 EDBDMM O=C(NCCOc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000106918922 441390187 /nfs/dbraw/zinc/39/01/87/441390187.db2.gz OBPATKZAVYYJQJ-UHFFFAOYSA-N -1 1 339.254 1.782 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1 ZINC000186751038 442605800 /nfs/dbraw/zinc/60/58/00/442605800.db2.gz VQLCWZAXXBJVAJ-UHFFFAOYSA-N -1 1 329.316 1.053 20 5 EDBDMM Cc1nnsc1C(=O)[N-]c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000192936431 442700135 /nfs/dbraw/zinc/70/01/35/442700135.db2.gz OZRJHTHNQLFSIS-UHFFFAOYSA-N -1 1 331.317 1.792 20 5 EDBDMM C[C@@H](CN(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F)c1nn[n-]n1 ZINC000187288359 442667390 /nfs/dbraw/zinc/66/73/90/442667390.db2.gz ATNFOZFTISQBMQ-IUCAKERBSA-N -1 1 336.327 1.613 20 5 EDBDMM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN(C2CCOCC2)CC1 ZINC000272697916 443412938 /nfs/dbraw/zinc/41/29/38/443412938.db2.gz SKSPLZTZTDKQJQ-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM COc1cccc(O[C@H](C)CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000440266478 320067304 /nfs/dbraw/zinc/06/73/04/320067304.db2.gz CJMRDJFBOIZIOI-SNVBAGLBSA-N -1 1 347.327 1.901 20 5 EDBDMM CN(Cc1ccccc1)C1CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C1 ZINC000288348706 443852149 /nfs/dbraw/zinc/85/21/49/443852149.db2.gz KDIJLIFFFUJNKP-UHFFFAOYSA-N -1 1 342.355 1.652 20 5 EDBDMM CC[C@H](C)c1nnc([C@H](C)NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000277076144 443903864 /nfs/dbraw/zinc/90/38/64/443903864.db2.gz OALUDGFEFLWORP-YUMQZZPRSA-N -1 1 334.336 1.818 20 5 EDBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000299409142 444038987 /nfs/dbraw/zinc/03/89/87/444038987.db2.gz OGQARSUEHCVZEI-NWDGAFQWSA-N -1 1 343.380 1.639 20 5 EDBDMM COC(=O)CCC1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000571370362 321384310 /nfs/dbraw/zinc/38/43/10/321384310.db2.gz GIZBVLCDZMJSGX-UHFFFAOYSA-N -1 1 337.332 1.501 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c([N+](=O)[O-])n1 ZINC000339044562 445006362 /nfs/dbraw/zinc/00/63/62/445006362.db2.gz BLEFXQHFJZMCAR-IACUBPJLSA-N -1 1 348.384 1.428 20 5 EDBDMM Cc1c([C@@H]2OCC[C@@H]2NCc2cc([O-])ccc2[N+](=O)[O-])cnn1C ZINC000339104680 445035301 /nfs/dbraw/zinc/03/53/01/445035301.db2.gz AUCGJTMXDRESSK-HOCLYGCPSA-N -1 1 332.360 1.962 20 5 EDBDMM CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000339128987 445047112 /nfs/dbraw/zinc/04/71/12/445047112.db2.gz MSEXGTMGDTZKGP-QWHCGFSZSA-N -1 1 343.405 1.250 20 5 EDBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)o2)CC1 ZINC000351846063 445341177 /nfs/dbraw/zinc/34/11/77/445341177.db2.gz ZMIDGKAWTSBSEP-UHFFFAOYSA-N -1 1 334.288 1.409 20 5 EDBDMM CNS(=O)(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1C ZINC000361712905 445894084 /nfs/dbraw/zinc/89/40/84/445894084.db2.gz VAYREAMSMDMWGN-UHFFFAOYSA-N -1 1 338.345 1.392 20 5 EDBDMM O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000532793221 448315425 /nfs/dbraw/zinc/31/54/25/448315425.db2.gz WNCKEWYVAAATTI-SNVBAGLBSA-N -1 1 348.388 1.606 20 5 EDBDMM CCC(C)(C)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000573802112 448717689 /nfs/dbraw/zinc/71/76/89/448717689.db2.gz DHWJTCVXEBNJTD-NSHDSACASA-N -1 1 348.352 1.902 20 5 EDBDMM CC(C)C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547813847 448935114 /nfs/dbraw/zinc/93/51/14/448935114.db2.gz ZZSISZWOEUKXBR-NEPJUHHUSA-N -1 1 343.405 1.862 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1Cc2cccc(O)c2C1 ZINC000574743016 448944718 /nfs/dbraw/zinc/94/47/18/448944718.db2.gz LOHYWUWWHPTAEN-SNVBAGLBSA-N -1 1 335.341 1.141 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000590399056 449147018 /nfs/dbraw/zinc/14/70/18/449147018.db2.gz VXUZBZYRQKXIFA-UHFFFAOYSA-N -1 1 333.304 1.091 20 5 EDBDMM O=C(NCc1cccnc1N1CCCC1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000597940260 449151333 /nfs/dbraw/zinc/15/13/33/449151333.db2.gz GQUFSABZXWUFOZ-UHFFFAOYSA-N -1 1 343.343 1.621 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000593744261 449175141 /nfs/dbraw/zinc/17/51/41/449175141.db2.gz OUPCNIMBMJWFOZ-KBPBESRZSA-N -1 1 338.385 1.999 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000593744275 449175210 /nfs/dbraw/zinc/17/52/10/449175210.db2.gz OUPCNIMBMJWFOZ-UONOGXRCSA-N -1 1 338.385 1.999 20 5 EDBDMM COC(=O)c1ccnc([N-]c2cnn(C[C@@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000598588561 449478781 /nfs/dbraw/zinc/47/87/81/449478781.db2.gz CLDHIOCIHHMKCX-NSHDSACASA-N -1 1 347.331 1.896 20 5 EDBDMM C[C@H]1CN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(=O)[O-] ZINC000600697901 449500282 /nfs/dbraw/zinc/50/02/82/449500282.db2.gz BPSYLUAYWLJUBG-FZMZJTMJSA-N -1 1 335.360 1.600 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000600870639 449578454 /nfs/dbraw/zinc/57/84/54/449578454.db2.gz WZNHCOHCNCCRCD-LBPRGKRZSA-N -1 1 335.360 1.524 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000612174396 449597678 /nfs/dbraw/zinc/59/76/78/449597678.db2.gz ISPIONWMVCONJD-WCQYABFASA-N -1 1 344.393 1.047 20 5 EDBDMM COc1c(F)cc(S(=O)(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000614539169 449677313 /nfs/dbraw/zinc/67/73/13/449677313.db2.gz ABFIJXYLJOJWKS-VIFPVBQESA-N -1 1 347.368 1.115 20 5 EDBDMM CCOc1cccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000618383165 450188401 /nfs/dbraw/zinc/18/84/01/450188401.db2.gz JOXAZAOLYAHCAC-UHFFFAOYSA-N -1 1 332.316 1.462 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1[N+](=O)[O-] ZINC000739376820 579198084 /nfs/dbraw/zinc/19/80/84/579198084.db2.gz YEDYBFHNUMVZEK-BDAKNGLRSA-N -1 1 339.352 1.389 20 5 EDBDMM O=C([O-])CCSCCNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000739751125 579245957 /nfs/dbraw/zinc/24/59/57/579245957.db2.gz ASFOWBYRAIUBCH-UHFFFAOYSA-N -1 1 338.345 1.409 20 5 EDBDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000755595021 579930438 /nfs/dbraw/zinc/93/04/38/579930438.db2.gz VJLYQFJPVTUYTI-FUWURINLSA-N -1 1 342.359 1.917 20 5 EDBDMM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn(C)c1=O ZINC000767717642 580197741 /nfs/dbraw/zinc/19/77/41/580197741.db2.gz ZRKAYXOMHVNDFD-UHFFFAOYSA-N -1 1 341.320 1.542 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1COC[C@@H]1C1CC1 ZINC000908417350 592488224 /nfs/dbraw/zinc/48/82/24/592488224.db2.gz XNDBIEVAXUMQEA-MNOVXSKESA-N -1 1 346.792 1.952 20 5 EDBDMM Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000807690684 593190993 /nfs/dbraw/zinc/19/09/93/593190993.db2.gz FBRULWDQMYLQDG-QMTHXVAHSA-N -1 1 331.328 1.856 20 5 EDBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(=O)[nH]c2)c1F ZINC000811725274 593476965 /nfs/dbraw/zinc/47/69/65/593476965.db2.gz NRKRFBMXMKRISG-UHFFFAOYSA-N -1 1 327.293 1.944 20 5 EDBDMM O=C([O-])C[C@H]1CCCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000819385526 593752997 /nfs/dbraw/zinc/75/29/97/593752997.db2.gz WYKOWRLICYMJHJ-GFCCVEGCSA-N -1 1 345.359 1.998 20 5 EDBDMM CCc1noc(CC)c1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821558979 593864300 /nfs/dbraw/zinc/86/43/00/593864300.db2.gz NFDGIYDQOJMVEA-UHFFFAOYSA-N -1 1 344.335 1.895 20 5 EDBDMM CCc1noc(CC)c1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821558979 593864301 /nfs/dbraw/zinc/86/43/01/593864301.db2.gz NFDGIYDQOJMVEA-UHFFFAOYSA-N -1 1 344.335 1.895 20 5 EDBDMM Cc1ccn2ncnc2c1[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000820799662 593892467 /nfs/dbraw/zinc/89/24/67/593892467.db2.gz AJGSHLUDGCITSE-UHFFFAOYSA-N -1 1 347.356 1.888 20 5 EDBDMM COc1ccc(C=O)cc1Oc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821786319 593939235 /nfs/dbraw/zinc/93/92/35/593939235.db2.gz CXWRPXHRFVFELG-UHFFFAOYSA-N -1 1 342.271 1.783 20 5 EDBDMM COc1ccc(C=O)cc1Oc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821786319 593939238 /nfs/dbraw/zinc/93/92/38/593939238.db2.gz CXWRPXHRFVFELG-UHFFFAOYSA-N -1 1 342.271 1.783 20 5 EDBDMM COc1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cn1 ZINC000821821479 593948521 /nfs/dbraw/zinc/94/85/21/593948521.db2.gz HUPYAAJUCFQNEE-UHFFFAOYSA-N -1 1 327.304 1.791 20 5 EDBDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824513820 594028569 /nfs/dbraw/zinc/02/85/69/594028569.db2.gz JAMIKUJGPSMSNC-SECBINFHSA-N -1 1 339.315 1.661 20 5 EDBDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824513820 594028571 /nfs/dbraw/zinc/02/85/71/594028571.db2.gz JAMIKUJGPSMSNC-SECBINFHSA-N -1 1 339.315 1.661 20 5 EDBDMM C[C@H](NCC(=O)N1CCN(C(=O)[O-])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000825483874 594191649 /nfs/dbraw/zinc/19/16/49/594191649.db2.gz BNHLTNWUADEPJR-NSHDSACASA-N -1 1 336.348 1.068 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC(C(F)(F)F)CC1 ZINC000823613375 594221392 /nfs/dbraw/zinc/22/13/92/594221392.db2.gz IAPCUNYOOOQUJK-UHFFFAOYSA-N -1 1 343.269 1.949 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(C(F)(F)F)CC1 ZINC000823613375 594221393 /nfs/dbraw/zinc/22/13/93/594221393.db2.gz IAPCUNYOOOQUJK-UHFFFAOYSA-N -1 1 343.269 1.949 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc(CO)c(F)c1 ZINC000823624708 594222717 /nfs/dbraw/zinc/22/27/17/594222717.db2.gz FLXWWVCJWZFKHT-UHFFFAOYSA-N -1 1 345.294 1.413 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc(CO)c(F)c1 ZINC000823624708 594222718 /nfs/dbraw/zinc/22/27/18/594222718.db2.gz FLXWWVCJWZFKHT-UHFFFAOYSA-N -1 1 345.294 1.413 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000828028847 594325503 /nfs/dbraw/zinc/32/55/03/594325503.db2.gz FJSABHUAOVFXHX-HNNXBMFYSA-N -1 1 332.316 1.941 20 5 EDBDMM O=C([O-])N1CC[C@H](CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000834078900 595008037 /nfs/dbraw/zinc/00/80/37/595008037.db2.gz WHRYZUGSUAPXNR-MRVPVSSYSA-N -1 1 347.324 1.012 20 5 EDBDMM CCn1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000859252237 596018388 /nfs/dbraw/zinc/01/83/88/596018388.db2.gz NPRXRZRUGCQGFE-UHFFFAOYSA-N -1 1 339.377 1.302 20 5 EDBDMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3nccn3)cc2)c1 ZINC000194152848 696111703 /nfs/dbraw/zinc/11/17/03/696111703.db2.gz IRPCCNSXPXFORZ-UHFFFAOYSA-N -1 1 345.340 1.976 20 5 EDBDMM C[C@H]([C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000558685708 306243986 /nfs/dbraw/zinc/24/39/86/306243986.db2.gz PHVDADFWEYUVHB-WRWORJQWSA-N -1 1 346.336 1.512 20 5 EDBDMM CN(CCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC(F)(F)F ZINC000186938607 529891615 /nfs/dbraw/zinc/89/16/15/529891615.db2.gz IZWFKBGZRSWQCZ-UHFFFAOYSA-N -1 1 336.270 1.309 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CC[C@@H]1CCCCO1 ZINC000180779114 201032475 /nfs/dbraw/zinc/03/24/75/201032475.db2.gz SKWNPVOYOYPKEA-JTQLQIEISA-N -1 1 332.353 1.971 20 5 EDBDMM O=C(N[C@@H]1COc2cc(F)cc(F)c21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000377261928 284128782 /nfs/dbraw/zinc/12/87/82/284128782.db2.gz MGMMNAXMMZMDLR-SECBINFHSA-N -1 1 337.238 1.837 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000228543829 139023266 /nfs/dbraw/zinc/02/32/66/139023266.db2.gz ADYZPUWVNQRNFZ-QMMMGPOBSA-N -1 1 348.686 1.450 20 5 EDBDMM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc21 ZINC000010063765 211145510 /nfs/dbraw/zinc/14/55/10/211145510.db2.gz CPPDYUVUXPSFJN-UHFFFAOYSA-N -1 1 347.352 1.915 20 5 EDBDMM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000263218470 139328988 /nfs/dbraw/zinc/32/89/88/139328988.db2.gz ONXIUWKTABQQAI-RKDXNWHRSA-N -1 1 332.316 1.796 20 5 EDBDMM Cc1nn(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C)c1[N+](=O)[O-] ZINC000263862083 139365412 /nfs/dbraw/zinc/36/54/12/139365412.db2.gz XUMQZRMQNPFIIJ-UHFFFAOYSA-N -1 1 347.257 1.574 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])n1 ZINC000331793412 141081813 /nfs/dbraw/zinc/08/18/13/141081813.db2.gz QGLHTYCBNZGJJT-MFKMUULPSA-N -1 1 346.409 1.293 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000339447832 142047934 /nfs/dbraw/zinc/04/79/34/142047934.db2.gz KWIFGZPMHYMJTR-ZJUUUORDSA-N -1 1 332.382 1.047 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](CO)C2)s1 ZINC000344954708 143030560 /nfs/dbraw/zinc/03/05/60/143030560.db2.gz FVLARIJEBFNRHY-ZJUUUORDSA-N -1 1 334.419 1.733 20 5 EDBDMM C[C@](CO)(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000346330316 143192672 /nfs/dbraw/zinc/19/26/72/143192672.db2.gz GXOCNUVXKNXWJW-MRXNPFEDSA-N -1 1 331.328 1.375 20 5 EDBDMM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000346543830 143215315 /nfs/dbraw/zinc/21/53/15/143215315.db2.gz CTNRWIWGAKZINP-JTQLQIEISA-N -1 1 332.364 1.648 20 5 EDBDMM NS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000352184124 162037097 /nfs/dbraw/zinc/03/70/97/162037097.db2.gz MWMBMPJGUZSRQX-UHFFFAOYSA-N -1 1 329.265 1.227 20 5 EDBDMM CCc1cnc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])o1 ZINC000274714969 268190213 /nfs/dbraw/zinc/19/02/13/268190213.db2.gz RGLDXFRKPCZRAJ-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM CCOC(=O)N1CCC(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000274899288 268233929 /nfs/dbraw/zinc/23/39/29/268233929.db2.gz OYSQDFBGEIYKKL-UHFFFAOYSA-N -1 1 338.320 1.046 20 5 EDBDMM COC(=O)CCN(CC(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274922947 268238986 /nfs/dbraw/zinc/23/89/86/268238986.db2.gz BMKIYEWSRFATGW-UHFFFAOYSA-N -1 1 325.321 1.357 20 5 EDBDMM CCN1CCN([C@H]2CCN(C(=O)c3cc([O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000367531057 276200361 /nfs/dbraw/zinc/20/03/61/276200361.db2.gz LJGUUJNYJMFFKQ-ZDUSSCGKSA-N -1 1 348.403 1.152 20 5 EDBDMM CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000107311068 277918142 /nfs/dbraw/zinc/91/81/42/277918142.db2.gz IHQNXDZRVKGHPP-VIFPVBQESA-N -1 1 335.769 1.036 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)F ZINC000295796345 303268371 /nfs/dbraw/zinc/26/83/71/303268371.db2.gz RXULRYULKWIWQD-SCZZXKLOSA-N -1 1 342.295 1.417 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2cc(-c3cccc(F)c3)on2)n1 ZINC000448539145 447330421 /nfs/dbraw/zinc/33/04/21/447330421.db2.gz RZZPEWMPBUOZDV-UHFFFAOYSA-N -1 1 331.263 2.375 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000016099324 441216653 /nfs/dbraw/zinc/21/66/53/441216653.db2.gz XRAPNMOUZKLGMJ-UHFFFAOYSA-N -1 1 346.328 1.371 20 5 EDBDMM COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000028813836 441437835 /nfs/dbraw/zinc/43/78/35/441437835.db2.gz AYMIHKMRYBHDQC-MRVPVSSYSA-N -1 1 335.291 1.922 20 5 EDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000032644185 441562420 /nfs/dbraw/zinc/56/24/20/441562420.db2.gz DWMYTJDLLAFILE-UHFFFAOYSA-N -1 1 339.329 1.657 20 5 EDBDMM C[C@H](O)C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000119432691 441935189 /nfs/dbraw/zinc/93/51/89/441935189.db2.gz XEYHEEGVXWRIEW-WCQYABFASA-N -1 1 345.355 1.980 20 5 EDBDMM Cn1ccnc1-c1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)[nH]n1 ZINC000165158111 442207072 /nfs/dbraw/zinc/20/70/72/442207072.db2.gz HGBWPMUXUZBVFV-UHFFFAOYSA-N -1 1 328.288 1.676 20 5 EDBDMM Cn1cnc(S(=O)(=O)[N-]CCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000154290798 442330975 /nfs/dbraw/zinc/33/09/75/442330975.db2.gz IVSTWTLRCJBSSW-UHFFFAOYSA-N -1 1 344.780 1.503 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccn3ccnc3c2)s1 ZINC000177728854 442377303 /nfs/dbraw/zinc/37/73/03/442377303.db2.gz OLIMGPWUPPJUIY-UHFFFAOYSA-N -1 1 338.370 1.783 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278838567 443457597 /nfs/dbraw/zinc/45/75/97/443457597.db2.gz VPYZXGZFGOXHNO-TZMCWYRMSA-N -1 1 344.389 1.208 20 5 EDBDMM CCn1nccc1C1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000279231031 443540871 /nfs/dbraw/zinc/54/08/71/443540871.db2.gz PBHIZRDLHCHBAT-UHFFFAOYSA-N -1 1 345.359 1.932 20 5 EDBDMM CC(C)N1C(=O)CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1(C)C ZINC000440297549 320070477 /nfs/dbraw/zinc/07/04/77/320070477.db2.gz RMJLAVBTRJNCDT-UHFFFAOYSA-N -1 1 336.348 1.167 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@H]2CCCO2)cc1Cl ZINC000281143346 443829850 /nfs/dbraw/zinc/82/98/50/443829850.db2.gz KDFMMLMNHSRCIE-SSDOTTSWSA-N -1 1 338.744 1.845 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]C[C@@H]2CCOC2)cc1Cl ZINC000281205927 443847539 /nfs/dbraw/zinc/84/75/39/443847539.db2.gz PVZFABIFPLKSTP-ZETCQYMHSA-N -1 1 338.744 1.702 20 5 EDBDMM CCNC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000340683914 444479539 /nfs/dbraw/zinc/47/95/39/444479539.db2.gz SHGPKXZDZDXZNM-UHFFFAOYSA-N -1 1 332.316 1.690 20 5 EDBDMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)CC1CC1 ZINC000580558851 322067420 /nfs/dbraw/zinc/06/74/20/322067420.db2.gz MLKLCXKZWRYAEQ-SECBINFHSA-N -1 1 348.402 1.524 20 5 EDBDMM CCn1c(C)nc([N+](=O)[O-])c1Oc1ccc([N-]S(C)(=O)=O)nc1 ZINC000340892502 444562084 /nfs/dbraw/zinc/56/20/84/444562084.db2.gz CWPBXFMUZNWHFR-UHFFFAOYSA-N -1 1 341.349 1.678 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ccc(C)o2)c([N+](=O)[O-])n1 ZINC000339042737 445004148 /nfs/dbraw/zinc/00/41/48/445004148.db2.gz KGMCYSYSTYUXOH-SECBINFHSA-N -1 1 328.350 1.752 20 5 EDBDMM COCC(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000348158259 445293739 /nfs/dbraw/zinc/29/37/39/445293739.db2.gz NPOMPIHKBBKHBZ-UHFFFAOYSA-N -1 1 344.327 1.711 20 5 EDBDMM Cc1c(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cccc1[N+](=O)[O-] ZINC000619209120 450427382 /nfs/dbraw/zinc/42/73/82/450427382.db2.gz JHJOFOZDUYCXLS-CQSZACIVSA-N -1 1 338.327 1.936 20 5 EDBDMM O=C(N[C@H]1C[C@H](CO)c2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000370388715 446258215 /nfs/dbraw/zinc/25/82/15/446258215.db2.gz OMSSEBWEFOFXJS-MFKMUULPSA-N -1 1 329.312 1.646 20 5 EDBDMM Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)n1 ZINC000368672933 447022963 /nfs/dbraw/zinc/02/29/63/447022963.db2.gz OTMFTQYMOSZGMM-LLVKDONJSA-N -1 1 346.347 1.381 20 5 EDBDMM O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000368814799 447129401 /nfs/dbraw/zinc/12/94/01/447129401.db2.gz WJPNXSJUIDSSAP-AWEZNQCLSA-N -1 1 339.311 1.938 20 5 EDBDMM CC(=O)Nc1ccccc1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000518160555 448648996 /nfs/dbraw/zinc/64/89/96/448648996.db2.gz LSICSMQHULLPNL-UHFFFAOYSA-N -1 1 330.300 1.584 20 5 EDBDMM COc1cccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])c1 ZINC000569197229 448976030 /nfs/dbraw/zinc/97/60/30/448976030.db2.gz ODNVJIRPRGHGIU-QWHCGFSZSA-N -1 1 349.368 1.833 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2CC(C)(C)C)c([N+](=O)[O-])n1 ZINC000593627970 449115866 /nfs/dbraw/zinc/11/58/66/449115866.db2.gz MSMAZQGFNDDCAR-VHSXEESVSA-N -1 1 330.410 1.914 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000611083603 449161351 /nfs/dbraw/zinc/16/13/51/449161351.db2.gz MNRWWYFWGSLQIN-MVWJERBFSA-N -1 1 339.373 1.226 20 5 EDBDMM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)c2cc([N+](=O)[O-])ccc2n1 ZINC000595977522 449294550 /nfs/dbraw/zinc/29/45/50/449294550.db2.gz GLCSUOGVSGAYBZ-TZTCFGBESA-N -1 1 331.328 1.509 20 5 EDBDMM Cc1ccnc([C@@H](C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000598733867 449569344 /nfs/dbraw/zinc/56/93/44/449569344.db2.gz AMRSLQCPFHBYHD-MRVPVSSYSA-N -1 1 328.375 1.794 20 5 EDBDMM Cc1cc(S(=O)(=O)[N-]C2(CF)CCOCC2)c([N+](=O)[O-])s1 ZINC000601425280 449944242 /nfs/dbraw/zinc/94/42/42/449944242.db2.gz ATEHYQXUPKTZFQ-UHFFFAOYSA-N -1 1 338.382 1.762 20 5 EDBDMM C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595252203 449977708 /nfs/dbraw/zinc/97/77/08/449977708.db2.gz UWZJWYWXLFLXSL-ABAIWWIYSA-N -1 1 332.316 1.844 20 5 EDBDMM COc1ccccc1OCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618339296 450163238 /nfs/dbraw/zinc/16/32/38/450163238.db2.gz VFHOYVYQNPTHHC-UHFFFAOYSA-N -1 1 333.300 1.513 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CCC(N(C)C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000737831951 579046293 /nfs/dbraw/zinc/04/62/93/579046293.db2.gz UGDRSYMZIUQMST-UHFFFAOYSA-N -1 1 339.352 1.485 20 5 EDBDMM Cn1[n-]c(COC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)nc1=O ZINC000765420764 580141784 /nfs/dbraw/zinc/14/17/84/580141784.db2.gz WYGDPNREYSUUQH-UHFFFAOYSA-N -1 1 334.313 1.588 20 5 EDBDMM CO[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000774798771 580374488 /nfs/dbraw/zinc/37/44/88/580374488.db2.gz OTDZRGAWRGMXNW-GXSJLCMTSA-N -1 1 332.353 1.827 20 5 EDBDMM COc1ccc([C@@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776330662 580414917 /nfs/dbraw/zinc/41/49/17/580414917.db2.gz NPAJPUAWDXUKSZ-ZDUSSCGKSA-N -1 1 333.300 1.167 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000776563989 580420899 /nfs/dbraw/zinc/42/08/99/580420899.db2.gz LOVTVWVSJMMAIR-NSHDSACASA-N -1 1 334.361 1.347 20 5 EDBDMM CCCSc1ccc([N+](=O)[O-])cc1C(=O)NN1CC(=O)[N-]C1=O ZINC000780321703 580518600 /nfs/dbraw/zinc/51/86/00/580518600.db2.gz LILZSUGSCOHREM-UHFFFAOYSA-N -1 1 338.345 1.294 20 5 EDBDMM O=C(N[C@H](CCO)Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000799811920 581037273 /nfs/dbraw/zinc/03/72/73/581037273.db2.gz NFZHATKPMZZWND-CYBMUJFWSA-N -1 1 331.328 1.419 20 5 EDBDMM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736119999 592990243 /nfs/dbraw/zinc/99/02/43/592990243.db2.gz UMUUHLFLBGOJLM-SECBINFHSA-N -1 1 339.315 1.661 20 5 EDBDMM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000736119999 592990245 /nfs/dbraw/zinc/99/02/45/592990245.db2.gz UMUUHLFLBGOJLM-SECBINFHSA-N -1 1 339.315 1.661 20 5 EDBDMM CC(C)[C@@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805110260 593337485 /nfs/dbraw/zinc/33/74/85/593337485.db2.gz RHGFWPJXKHNEMS-SECBINFHSA-N -1 1 336.797 1.791 20 5 EDBDMM C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809832479 593429705 /nfs/dbraw/zinc/42/97/05/593429705.db2.gz PUMJBGKYHCXDDR-RQJHMYQMSA-N -1 1 340.760 1.825 20 5 EDBDMM CN(C)C(=O)C1CCN(c2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1 ZINC000821575615 593866836 /nfs/dbraw/zinc/86/68/36/593866836.db2.gz JCRHONKKMJVPTL-UHFFFAOYSA-N -1 1 345.363 1.080 20 5 EDBDMM CN(C)c1ccc(Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cn1 ZINC000821589437 593872209 /nfs/dbraw/zinc/87/22/09/593872209.db2.gz NEYHBBOMOQRGRK-UHFFFAOYSA-N -1 1 327.308 1.375 20 5 EDBDMM CN(C)c1ccc(Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cn1 ZINC000821589437 593872210 /nfs/dbraw/zinc/87/22/10/593872210.db2.gz NEYHBBOMOQRGRK-UHFFFAOYSA-N -1 1 327.308 1.375 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nnn[n-]2)c1 ZINC000822271172 594022388 /nfs/dbraw/zinc/02/23/88/594022388.db2.gz PEUPWFMTOVQMGU-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccnc(-c2nn[n-]n2)c1 ZINC000822271172 594022391 /nfs/dbraw/zinc/02/23/91/594022391.db2.gz PEUPWFMTOVQMGU-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)Nc1cc(-c2nn[nH]n2)ccc1[O-] ZINC000823111828 594154909 /nfs/dbraw/zinc/15/49/09/594154909.db2.gz ORPUXBIQWBIIHO-UHFFFAOYSA-N -1 1 340.299 1.662 20 5 EDBDMM CCOC(=O)c1cnn(Cc2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000825569960 594202084 /nfs/dbraw/zinc/20/20/84/594202084.db2.gz CUAZQQJGTYNXKN-UHFFFAOYSA-N -1 1 343.303 1.196 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC(c2cc[nH]n2)CC1 ZINC000823620290 594221836 /nfs/dbraw/zinc/22/18/36/594221836.db2.gz JNTIIOPWICWXCQ-UHFFFAOYSA-N -1 1 341.335 1.277 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1SC[C@@H](O)c1ccccc1 ZINC000823630487 594223219 /nfs/dbraw/zinc/22/32/19/594223219.db2.gz YDZIOMQEFHOQSI-LLVKDONJSA-N -1 1 344.356 1.996 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1SC[C@@H](O)c1ccccc1 ZINC000823630487 594223220 /nfs/dbraw/zinc/22/32/20/594223220.db2.gz YDZIOMQEFHOQSI-LLVKDONJSA-N -1 1 344.356 1.996 20 5 EDBDMM Cc1[nH]nc(C(=O)N2CCC[C@@H](C)[C@@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000829832930 594273159 /nfs/dbraw/zinc/27/31/59/594273159.db2.gz CYTAPHJJBIVXQO-APPZFPTMSA-N -1 1 325.325 1.135 20 5 EDBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)nn1 ZINC000825953975 594290186 /nfs/dbraw/zinc/29/01/86/594290186.db2.gz UNAZVIPSDLDYJZ-UHFFFAOYSA-N -1 1 346.738 1.855 20 5 EDBDMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)nn1 ZINC000825953975 594290187 /nfs/dbraw/zinc/29/01/87/594290187.db2.gz UNAZVIPSDLDYJZ-UHFFFAOYSA-N -1 1 346.738 1.855 20 5 EDBDMM C[C@@H]1CN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C(=O)[O-] ZINC000828462276 594427187 /nfs/dbraw/zinc/42/71/87/594427187.db2.gz IVRRIHZUELDVFK-BXKDBHETSA-N -1 1 332.316 1.797 20 5 EDBDMM C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@@H]1C(=O)[O-] ZINC000828465945 594428219 /nfs/dbraw/zinc/42/82/19/594428219.db2.gz ZEQMRJCAZHRWBP-JQWIXIFHSA-N -1 1 331.332 1.463 20 5 EDBDMM CN1CCO[C@@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000830964094 594526516 /nfs/dbraw/zinc/52/65/16/594526516.db2.gz HKTLISHQSOKEMA-QWHCGFSZSA-N -1 1 341.751 1.466 20 5 EDBDMM COc1ccc(OCCN2CC[C@H](N(C)C(=O)[O-])C2)c([N+](=O)[O-])c1 ZINC000829500523 594626981 /nfs/dbraw/zinc/62/69/81/594626981.db2.gz LLTGDGUMFBXHLJ-NSHDSACASA-N -1 1 339.348 1.666 20 5 EDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c2nccn21 ZINC000832427090 594749737 /nfs/dbraw/zinc/74/97/37/594749737.db2.gz QNZYOVSYEKEHRD-PSASIEDQSA-N -1 1 340.336 1.915 20 5 EDBDMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832463238 594752180 /nfs/dbraw/zinc/75/21/80/594752180.db2.gz VEQNNKOXEQGOIS-VIFPVBQESA-N -1 1 342.352 1.377 20 5 EDBDMM Cc1cc(C[C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n[nH]1 ZINC000832884020 594782960 /nfs/dbraw/zinc/78/29/60/594782960.db2.gz SLMFJMYKMIGLSF-MRVPVSSYSA-N -1 1 332.316 1.686 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@](F)(C(=O)[O-])C1 ZINC000832958559 594787357 /nfs/dbraw/zinc/78/73/57/594787357.db2.gz KWOSDYPCWGELPS-OAHLLOKOSA-N -1 1 339.323 1.730 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC2(Cl)Cl)nc1 ZINC000845810687 595070350 /nfs/dbraw/zinc/07/03/50/595070350.db2.gz LZFXTBVEVDSSOG-LURJTMIESA-N -1 1 326.161 1.462 20 5 EDBDMM O=C([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CC1[N+](=O)[O-] ZINC000842335108 595079172 /nfs/dbraw/zinc/07/91/72/595079172.db2.gz KBEQQBAJGWKYFW-HZGVNTEJSA-N -1 1 339.156 1.464 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(OC)OC ZINC000849406414 595521589 /nfs/dbraw/zinc/52/15/89/595521589.db2.gz JUYZEEPSXYLWCG-VIFPVBQESA-N -1 1 336.341 1.410 20 5 EDBDMM Cc1ccc(CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000111355814 595757650 /nfs/dbraw/zinc/75/76/50/595757650.db2.gz HRYUKIBDPHOZTG-UHFFFAOYSA-N -1 1 339.348 1.958 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CC2COC2)c1Cl ZINC000859372259 596071225 /nfs/dbraw/zinc/07/12/25/596071225.db2.gz KCTMKSZGTICQJZ-UHFFFAOYSA-N -1 1 341.172 1.826 20 5 EDBDMM COC(=O)C1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000918192671 697140151 /nfs/dbraw/zinc/14/01/51/697140151.db2.gz VGWWCEVEFMKTKR-UHFFFAOYSA-N -1 1 346.336 1.498 20 5 EDBDMM C[C@@H]([C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-])C1CC1 ZINC000558685706 306244061 /nfs/dbraw/zinc/24/40/61/306244061.db2.gz PHVDADFWEYUVHB-HQJQHLMTSA-N -1 1 346.336 1.512 20 5 EDBDMM CCn1cc(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000285733973 201333537 /nfs/dbraw/zinc/33/35/37/201333537.db2.gz VLLHIHOCORDEEX-UHFFFAOYSA-N -1 1 328.325 1.429 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCN1CC(F)(F)F ZINC000156009403 206048479 /nfs/dbraw/zinc/04/84/79/206048479.db2.gz ZPYWVCPAAMEXPJ-MRVPVSSYSA-N -1 1 348.281 1.404 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1O ZINC000270153643 140052441 /nfs/dbraw/zinc/05/24/41/140052441.db2.gz DHEKBYKPXVSBQG-KCJUWKMLSA-N -1 1 334.781 1.688 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c([N+](=O)[O-])n1 ZINC000339784333 142155482 /nfs/dbraw/zinc/15/54/82/142155482.db2.gz RGFBTIJFMVCDHK-UHFFFAOYSA-N -1 1 328.394 1.670 20 5 EDBDMM C[C@H]1CN(CCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000346033984 143159772 /nfs/dbraw/zinc/15/97/72/143159772.db2.gz RGKHWKQIZZPPGQ-RYUDHWBXSA-N -1 1 337.376 1.530 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C1(C2CC2)CCOCC1 ZINC000364881017 153359994 /nfs/dbraw/zinc/35/99/94/153359994.db2.gz GYBDVUWMGMIYDB-UHFFFAOYSA-N -1 1 344.364 1.971 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)N1CCCC[C@H]1C ZINC000275009765 268262864 /nfs/dbraw/zinc/26/28/64/268262864.db2.gz WWBPDCNVPVSJSG-ZJUUUORDSA-N -1 1 336.348 1.215 20 5 EDBDMM Cc1cc(N2CCC(NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n[nH]1 ZINC000276068933 273146587 /nfs/dbraw/zinc/14/65/87/273146587.db2.gz VKMLHVMQSWFARN-UHFFFAOYSA-N -1 1 346.347 1.126 20 5 EDBDMM C[C@H]1CN(C(=O)Cc2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)C[C@H](C)O1 ZINC000277883430 273232263 /nfs/dbraw/zinc/23/22/63/273232263.db2.gz CNURLFKZULSPFU-IUCAKERBSA-N -1 1 335.320 1.151 20 5 EDBDMM O=C(CN1CCC(c2n[n-]c(=O)o2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000284421370 274195629 /nfs/dbraw/zinc/19/56/29/274195629.db2.gz XVJRAKNPHQQRAS-UHFFFAOYSA-N -1 1 347.331 1.089 20 5 EDBDMM CNC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000178928371 290543541 /nfs/dbraw/zinc/54/35/41/290543541.db2.gz NKXLIEXUSOXRKC-NSHDSACASA-N -1 1 349.796 1.297 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000152344015 292839723 /nfs/dbraw/zinc/83/97/23/292839723.db2.gz UEFJXYKIHOKGLF-SNVBAGLBSA-N -1 1 334.781 1.952 20 5 EDBDMM NC(=O)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152159896 303297790 /nfs/dbraw/zinc/29/77/90/303297790.db2.gz MJMYQOVBQAMZDF-PSASIEDQSA-N -1 1 345.352 1.056 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CCCO1 ZINC000433454672 305109378 /nfs/dbraw/zinc/10/93/78/305109378.db2.gz GJXYUTIEBBUAKW-IUCAKERBSA-N -1 1 336.391 1.129 20 5 EDBDMM COC(=O)c1cc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)oc1C ZINC000444859750 305253968 /nfs/dbraw/zinc/25/39/68/305253968.db2.gz NWALOULKKDRYEV-UHFFFAOYSA-N -1 1 335.272 1.313 20 5 EDBDMM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532138215 305974896 /nfs/dbraw/zinc/97/48/96/305974896.db2.gz FNWDWHOZRZZTII-UHFFFAOYSA-N -1 1 327.343 1.707 20 5 EDBDMM CC(C)[C@H](O)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000538284889 306030530 /nfs/dbraw/zinc/03/05/30/306030530.db2.gz KNHWTXMBHVSNJZ-NSHDSACASA-N -1 1 329.378 1.065 20 5 EDBDMM O=C(c1c[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540425099 306039788 /nfs/dbraw/zinc/03/97/88/306039788.db2.gz LPRDFSPEQHHDTA-VIFPVBQESA-N -1 1 341.331 1.609 20 5 EDBDMM COc1ccc([N-]C(=O)c2nc3nccc(C)n3n2)c([N+](=O)[O-])c1 ZINC000057561497 441122745 /nfs/dbraw/zinc/12/27/45/441122745.db2.gz UAZYSUAVNMKKFZ-UHFFFAOYSA-N -1 1 328.288 1.602 20 5 EDBDMM COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000028813837 441438504 /nfs/dbraw/zinc/43/85/04/441438504.db2.gz AYMIHKMRYBHDQC-QMMMGPOBSA-N -1 1 335.291 1.922 20 5 EDBDMM CC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000126697912 442135912 /nfs/dbraw/zinc/13/59/12/442135912.db2.gz BJMMCMVJFZSADK-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCC[C@H](CN2CCOCC2)C1 ZINC000179493703 442466785 /nfs/dbraw/zinc/46/67/85/442466785.db2.gz CPZWJBMACGAGNM-CYBMUJFWSA-N -1 1 349.387 1.485 20 5 EDBDMM CCc1nc([C@@H]2CN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CCO2)n[nH]1 ZINC000266150028 443035738 /nfs/dbraw/zinc/03/57/38/443035738.db2.gz WSRVGJYXJNTLGL-LBPRGKRZSA-N -1 1 347.331 1.195 20 5 EDBDMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000279166529 443522216 /nfs/dbraw/zinc/52/22/16/443522216.db2.gz GOVZCOMKVWFXPA-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CC(=O)N(C[C@H]1CCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C1CC1 ZINC000276194971 443666625 /nfs/dbraw/zinc/66/66/25/443666625.db2.gz CJKVXPDSZDRDHE-CYBMUJFWSA-N -1 1 348.359 1.311 20 5 EDBDMM C[C@H](O)C[N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000289239202 444084692 /nfs/dbraw/zinc/08/46/92/444084692.db2.gz WDTXNRIRSSYWFV-YFKPBYRVSA-N -1 1 329.161 1.561 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC ZINC000313909573 444298093 /nfs/dbraw/zinc/29/80/93/444298093.db2.gz ZYHWGXDCMHPSJJ-MRVPVSSYSA-N -1 1 336.753 1.478 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)c([N+](=O)[O-])n1 ZINC000331739967 444485544 /nfs/dbraw/zinc/48/55/44/444485544.db2.gz ACSKJDNAWPTCRM-FBIMIBRVSA-N -1 1 346.409 1.149 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])n1 ZINC000330624803 445066796 /nfs/dbraw/zinc/06/67/96/445066796.db2.gz GRVWMODXDQKCLE-QWRGUYRKSA-N -1 1 346.409 1.293 20 5 EDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)o1 ZINC000341870969 445044906 /nfs/dbraw/zinc/04/49/06/445044906.db2.gz BYPBWSKEEDCHCZ-UHFFFAOYSA-N -1 1 339.329 1.026 20 5 EDBDMM Cc1nc(C2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)CC2)no1 ZINC000373099847 446025969 /nfs/dbraw/zinc/02/59/69/446025969.db2.gz OWXJPURXMFLNDP-UHFFFAOYSA-N -1 1 333.304 1.407 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1nnc2n1CCCCC2 ZINC000376804788 446729615 /nfs/dbraw/zinc/72/96/15/446729615.db2.gz RBGOFLSRWSEEIY-SECBINFHSA-N -1 1 346.347 1.504 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN(c2ccccc2)C(=O)C1 ZINC000445221875 447180257 /nfs/dbraw/zinc/18/02/57/447180257.db2.gz YBVPAJTXSXDZPC-UHFFFAOYSA-N -1 1 342.311 1.184 20 5 EDBDMM CCc1nnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000416437368 447603196 /nfs/dbraw/zinc/60/31/96/447603196.db2.gz HAEOKDJSUXYPGI-UHFFFAOYSA-N -1 1 340.361 1.636 20 5 EDBDMM C[C@@]1([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000541392154 448674432 /nfs/dbraw/zinc/67/44/32/448674432.db2.gz DVGXMUNMHZSYAT-WCQYABFASA-N -1 1 327.362 1.226 20 5 EDBDMM C[C@H]1CN(CCCNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000584843002 448653297 /nfs/dbraw/zinc/65/32/97/448653297.db2.gz LIQHXTSNYDWIMQ-QWRGUYRKSA-N -1 1 338.364 1.599 20 5 EDBDMM Cc1nnc(C[N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])s1 ZINC000518460611 448680048 /nfs/dbraw/zinc/68/00/48/448680048.db2.gz ASRDYLWASNGXMW-UHFFFAOYSA-N -1 1 342.402 1.850 20 5 EDBDMM COC(=O)c1ccnc([N-]c2cnn(C[C@H]3CCCO3)c2)c1[N+](=O)[O-] ZINC000598588560 449477935 /nfs/dbraw/zinc/47/79/35/449477935.db2.gz CLDHIOCIHHMKCX-LLVKDONJSA-N -1 1 347.331 1.896 20 5 EDBDMM Cc1cc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)ccc1[N+](=O)[O-] ZINC000600868709 449577475 /nfs/dbraw/zinc/57/74/75/449577475.db2.gz JBNSRPAJTZYODP-LBPRGKRZSA-N -1 1 335.360 1.524 20 5 EDBDMM Cn1ncc2c1CC(C)(C)CN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000598777665 449597089 /nfs/dbraw/zinc/59/70/89/449597089.db2.gz VFKDZRTZXIDZID-UHFFFAOYSA-N -1 1 345.359 1.654 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc(C)cc(C)c2)c([N+](=O)[O-])n1 ZINC000594839911 449748112 /nfs/dbraw/zinc/74/81/12/449748112.db2.gz RKHFFZUKLIHJIX-UHFFFAOYSA-N -1 1 338.389 1.907 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000594853902 449762509 /nfs/dbraw/zinc/76/25/09/449762509.db2.gz ZLQDDAMQXGZIBS-AULYBMBSSA-N -1 1 349.368 1.878 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1cccc(O)c1 ZINC000599245460 449827287 /nfs/dbraw/zinc/82/72/87/449827287.db2.gz VKVUKGMBQUJOIQ-QMMMGPOBSA-N -1 1 326.334 1.073 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCC[C@H](N2CCOCC2)CC1 ZINC000619871332 450347910 /nfs/dbraw/zinc/34/79/10/450347910.db2.gz CSPFJKMWUOZPGC-ZDUSSCGKSA-N -1 1 349.387 1.627 20 5 EDBDMM C[C@@H](O)C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccccc1 ZINC000187187674 533758908 /nfs/dbraw/zinc/75/89/08/533758908.db2.gz WLZUTZIGHHBVMB-DGCLKSJQSA-N -1 1 345.355 1.980 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000733320178 578759209 /nfs/dbraw/zinc/75/92/09/578759209.db2.gz FNZPQOYJFNBHAE-VIFPVBQESA-N -1 1 346.258 1.590 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000733318206 578759668 /nfs/dbraw/zinc/75/96/68/578759668.db2.gz ZTVSWWQVPKYOIR-GFCCVEGCSA-N -1 1 334.781 1.953 20 5 EDBDMM C[C@@H](CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000736571660 579001356 /nfs/dbraw/zinc/00/13/56/579001356.db2.gz MGKBVYHMMHNTQD-QMMMGPOBSA-N -1 1 329.740 1.839 20 5 EDBDMM CCOC(=O)C[C@@H](C)Sc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000736594417 579004105 /nfs/dbraw/zinc/00/41/05/579004105.db2.gz QUXRLFBAXTUSPC-SSDOTTSWSA-N -1 1 338.349 1.604 20 5 EDBDMM O=C(NCc1cccc2c1OCCO2)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770391215 580259442 /nfs/dbraw/zinc/25/94/42/580259442.db2.gz JFYIHQIXFLCVLF-UHFFFAOYSA-N -1 1 331.284 1.397 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000770672753 580267275 /nfs/dbraw/zinc/26/72/75/580267275.db2.gz DSYSYCDVZJWOKG-UHFFFAOYSA-N -1 1 344.283 1.802 20 5 EDBDMM C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000770704390 580268605 /nfs/dbraw/zinc/26/86/05/580268605.db2.gz GQWOOOVZRDYVHB-AMIZOPFISA-N -1 1 335.291 1.686 20 5 EDBDMM Cc1cc(F)cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1[N+](=O)[O-] ZINC000775546129 580393376 /nfs/dbraw/zinc/39/33/76/580393376.db2.gz QVKKIGGDKUJTTK-VIFPVBQESA-N -1 1 334.311 1.575 20 5 EDBDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])N(C)C ZINC000798848625 581010572 /nfs/dbraw/zinc/01/05/72/581010572.db2.gz CLUMDQSCFVIVCH-LLVKDONJSA-N -1 1 347.368 1.125 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1cccs1 ZINC000820467340 593820593 /nfs/dbraw/zinc/82/05/93/593820593.db2.gz DQDYGSHJWJOGQY-CYBMUJFWSA-N -1 1 347.360 1.551 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1cccs1 ZINC000820467340 593820594 /nfs/dbraw/zinc/82/05/94/593820594.db2.gz DQDYGSHJWJOGQY-CYBMUJFWSA-N -1 1 347.360 1.551 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N(C)[C@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453680 594016096 /nfs/dbraw/zinc/01/60/96/594016096.db2.gz SGVFDLAONZGAMW-QMMMGPOBSA-N -1 1 325.325 1.266 20 5 EDBDMM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824513821 594028521 /nfs/dbraw/zinc/02/85/21/594028521.db2.gz JAMIKUJGPSMSNC-VIFPVBQESA-N -1 1 339.315 1.661 20 5 EDBDMM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)nc1)c1ccccc1[N+](=O)[O-] ZINC000824513821 594028522 /nfs/dbraw/zinc/02/85/22/594028522.db2.gz JAMIKUJGPSMSNC-VIFPVBQESA-N -1 1 339.315 1.661 20 5 EDBDMM CCC[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000825232778 594152829 /nfs/dbraw/zinc/15/28/29/594152829.db2.gz KISNHTFZZGUENO-QMMMGPOBSA-N -1 1 340.365 1.242 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCOCC(F)(F)F ZINC000823625458 594222619 /nfs/dbraw/zinc/22/26/19/594222619.db2.gz WFAZVDOTZSFWJP-UHFFFAOYSA-N -1 1 333.230 1.161 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCOCC(F)(F)F ZINC000823625458 594222620 /nfs/dbraw/zinc/22/26/20/594222620.db2.gz WFAZVDOTZSFWJP-UHFFFAOYSA-N -1 1 333.230 1.161 20 5 EDBDMM CN(C[C@H]1CCCC[C@H]1O)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825908553 594275172 /nfs/dbraw/zinc/27/51/72/594275172.db2.gz JEJTXWXUBFSTEE-MWLCHTKSSA-N -1 1 333.352 1.157 20 5 EDBDMM CN(C[C@H]1CCCC[C@H]1O)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825908553 594275174 /nfs/dbraw/zinc/27/51/74/594275174.db2.gz JEJTXWXUBFSTEE-MWLCHTKSSA-N -1 1 333.352 1.157 20 5 EDBDMM CN(Cc1ncc(Cl)n1C)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825999219 594301619 /nfs/dbraw/zinc/30/16/19/594301619.db2.gz RNZAZVFXPRZOHP-UHFFFAOYSA-N -1 1 349.742 1.193 20 5 EDBDMM CN(Cc1ncc(Cl)n1C)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825999219 594301622 /nfs/dbraw/zinc/30/16/22/594301622.db2.gz RNZAZVFXPRZOHP-UHFFFAOYSA-N -1 1 349.742 1.193 20 5 EDBDMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000827369220 594665452 /nfs/dbraw/zinc/66/54/52/594665452.db2.gz RASIEPZOFIWGRK-LLVKDONJSA-N -1 1 336.348 1.608 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCn2ccnc21 ZINC000831739084 594698032 /nfs/dbraw/zinc/69/80/32/594698032.db2.gz QKFBWURQRIKRFC-VIFPVBQESA-N -1 1 342.764 1.868 20 5 EDBDMM Cc1nn(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c2ncc([N+](=O)[O-])cc12 ZINC000833017053 594791633 /nfs/dbraw/zinc/79/16/33/594791633.db2.gz UNFUHQDGJTWYIG-ZDUSSCGKSA-N -1 1 345.359 1.792 20 5 EDBDMM O=C([O-])c1coc(CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000833340080 594830371 /nfs/dbraw/zinc/83/03/71/594830371.db2.gz RTLCTRLKVYIILE-NSHDSACASA-N -1 1 332.316 1.967 20 5 EDBDMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000834096665 595013129 /nfs/dbraw/zinc/01/31/29/595013129.db2.gz VUQGIQIHDUFFIB-MNOVXSKESA-N -1 1 335.316 1.657 20 5 EDBDMM O=C([N-]S(=O)(=O)Cc1cc(F)ccc1Cl)[C@@H]1CC1[N+](=O)[O-] ZINC000851170001 595745142 /nfs/dbraw/zinc/74/51/42/595745142.db2.gz LFEWFFCWBSNBOU-PSASIEDQSA-N -1 1 336.728 1.090 20 5 EDBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)c1[N+](=O)[O-] ZINC000098101910 138297797 /nfs/dbraw/zinc/29/77/97/138297797.db2.gz NLKJNSXQBRJUIN-UHFFFAOYSA-N -1 1 336.255 1.759 20 5 EDBDMM CCCNC(=O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000101569271 204011894 /nfs/dbraw/zinc/01/18/94/204011894.db2.gz RRJSEIQTEVKTFL-UHFFFAOYSA-N -1 1 335.769 1.053 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000444967694 296283383 /nfs/dbraw/zinc/28/33/83/296283383.db2.gz RJQHWMQBSANJNF-CBAPKCEASA-N -1 1 335.238 1.223 20 5 EDBDMM O=C([O-])[C@@H]1CCCN([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000262640340 139292373 /nfs/dbraw/zinc/29/23/73/139292373.db2.gz HIEXOLRCMNBSHG-BXUZGUMPSA-N -1 1 333.344 1.497 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc([S@@](C)=O)cc1 ZINC000339761552 142148279 /nfs/dbraw/zinc/14/82/79/142148279.db2.gz MOEISZXUOSZAQN-MXUQEVIESA-N -1 1 349.368 1.924 20 5 EDBDMM CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(N)=O ZINC000352538023 162238710 /nfs/dbraw/zinc/23/87/10/162238710.db2.gz DHPJZIVBHXOWHC-MRVPVSSYSA-N -1 1 335.769 1.181 20 5 EDBDMM CC[C@@](C)(CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000274929797 287387488 /nfs/dbraw/zinc/38/74/88/287387488.db2.gz CTKCYQVBSCGHJS-LBPRGKRZSA-N -1 1 334.325 1.513 20 5 EDBDMM COc1ccccc1O[C@@H](C)CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274962568 268251593 /nfs/dbraw/zinc/25/15/93/268251593.db2.gz LFRCURNHTPCGKO-JTQLQIEISA-N -1 1 347.327 1.901 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CN1CCC(c2n[n-]c(=O)o2)CC1 ZINC000283978565 274035553 /nfs/dbraw/zinc/03/55/53/274035553.db2.gz IVAGIYYTRQGGQV-UHFFFAOYSA-N -1 1 334.332 1.659 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000287802502 288327059 /nfs/dbraw/zinc/32/70/59/288327059.db2.gz JUAFLCWHCIERCO-GFCCVEGCSA-N -1 1 349.265 1.615 20 5 EDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000360461574 289947706 /nfs/dbraw/zinc/94/77/06/289947706.db2.gz VHKVKGFJCITOIE-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM O=C(N[C@@H]1CCCN(CC(F)(F)F)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293665931 303000757 /nfs/dbraw/zinc/00/07/57/303000757.db2.gz OIRQZVLTVDHWHP-SECBINFHSA-N -1 1 348.281 1.452 20 5 EDBDMM O=C([N-]N1CCCCC1=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]n1 ZINC000294410425 303103729 /nfs/dbraw/zinc/10/37/29/303103729.db2.gz DNHUSGDTKHAMNX-UHFFFAOYSA-N -1 1 329.316 1.642 20 5 EDBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NCc1nnc(C2CC2)[nH]1 ZINC000295288735 303200085 /nfs/dbraw/zinc/20/00/85/303200085.db2.gz NFZQJYNRHYCSEY-UHFFFAOYSA-N -1 1 341.324 1.208 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCC1CC(O)C1 ZINC000432298079 305090635 /nfs/dbraw/zinc/09/06/35/305090635.db2.gz VNPAEXTXJUIYAP-UHFFFAOYSA-N -1 1 334.781 1.688 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CCCO1 ZINC000433454671 305109396 /nfs/dbraw/zinc/10/93/96/305109396.db2.gz GJXYUTIEBBUAKW-DTWKUNHWSA-N -1 1 336.391 1.129 20 5 EDBDMM C[S@@](=O)C1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCC1 ZINC000435620684 305143729 /nfs/dbraw/zinc/14/37/29/305143729.db2.gz FBYAYUOHAAUVPX-LJQANCHMSA-N -1 1 338.432 1.236 20 5 EDBDMM O=C(C(=O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1)c1ccc([O-])cc1 ZINC000436596019 305161654 /nfs/dbraw/zinc/16/16/54/305161654.db2.gz OQZCHEARKIEFCK-UHFFFAOYSA-N -1 1 342.307 1.773 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452129224 305384680 /nfs/dbraw/zinc/38/46/80/305384680.db2.gz WUJAILAKSJDEOL-SNVBAGLBSA-N -1 1 346.318 1.843 20 5 EDBDMM O=C1Cc2cc(S(=O)(=O)[N-]c3cccc([N+](=O)[O-])c3)ccc2N1 ZINC000008195511 441086269 /nfs/dbraw/zinc/08/62/69/441086269.db2.gz VFGOLGXADRMLNW-UHFFFAOYSA-N -1 1 333.325 1.890 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[C@H](C)N1CCOCC1 ZINC000104757451 441204591 /nfs/dbraw/zinc/20/45/91/441204591.db2.gz ORPORWYSZCSSKR-ZJUUUORDSA-N -1 1 349.434 1.044 20 5 EDBDMM Cc1ccc(-c2nc([N-]C(=O)c3c([N+](=O)[O-])cnn3C)n[nH]2)cc1 ZINC000120054310 442000828 /nfs/dbraw/zinc/00/08/28/442000828.db2.gz YHJKZILQTAWPGX-UHFFFAOYSA-N -1 1 327.304 1.674 20 5 EDBDMM Cc1ccc2c([O-])c(C(=O)NCCn3cc([N+](=O)[O-])cn3)cnc2n1 ZINC000129992478 442337166 /nfs/dbraw/zinc/33/71/66/442337166.db2.gz ZHSHMUPMBKDERQ-UHFFFAOYSA-N -1 1 342.315 1.179 20 5 EDBDMM Cc1ccc2c(=O)c(C(=O)NCCn3cc([N+](=O)[O-])cn3)c[n-]c2n1 ZINC000129992478 442337170 /nfs/dbraw/zinc/33/71/70/442337170.db2.gz ZHSHMUPMBKDERQ-UHFFFAOYSA-N -1 1 342.315 1.179 20 5 EDBDMM CC[C@@]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)(C(N)=O)C(C)C ZINC000181529752 442701762 /nfs/dbraw/zinc/70/17/62/442701762.db2.gz AAXXLKPMKCEWMD-NSHDSACASA-N -1 1 335.407 1.225 20 5 EDBDMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000182131800 442738788 /nfs/dbraw/zinc/73/87/88/442738788.db2.gz NPNZQTKLLTUBPK-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000267890101 442779264 /nfs/dbraw/zinc/77/92/64/442779264.db2.gz ROKXHNUVJHNTHT-UWVGGRQHSA-N -1 1 348.352 1.206 20 5 EDBDMM Cc1nn(C)c(C)c1CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000182828381 318513888 /nfs/dbraw/zinc/51/38/88/318513888.db2.gz RAQBFODXELKCRF-UHFFFAOYSA-N -1 1 333.348 1.408 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000266129862 443027627 /nfs/dbraw/zinc/02/76/27/443027627.db2.gz AUFNFDDLDSPIFB-DTWKUNHWSA-N -1 1 334.781 1.952 20 5 EDBDMM CCC[C@H](NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000267743363 443562313 /nfs/dbraw/zinc/56/23/13/443562313.db2.gz ZOHOKXVFDYCTGI-NSHDSACASA-N -1 1 348.319 1.166 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H](CO)CC1CCC1 ZINC000280283708 443690923 /nfs/dbraw/zinc/69/09/23/443690923.db2.gz PYRRJKJUZKUKCA-JTQLQIEISA-N -1 1 332.353 1.563 20 5 EDBDMM O=C(NC[C@H](O)CCc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000277999072 444079954 /nfs/dbraw/zinc/07/99/54/444079954.db2.gz HMCIOUYWMAFBPZ-CYBMUJFWSA-N -1 1 331.328 1.419 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccccn2)C1 ZINC000278121906 444101966 /nfs/dbraw/zinc/10/19/66/444101966.db2.gz LTFSWRPIOFSJNA-NSHDSACASA-N -1 1 330.300 1.384 20 5 EDBDMM O=C([O-])CC1(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000324130776 444350765 /nfs/dbraw/zinc/35/07/65/444350765.db2.gz PJJBLRGRGODVFH-UHFFFAOYSA-N -1 1 346.336 1.657 20 5 EDBDMM CCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000342866905 444902421 /nfs/dbraw/zinc/90/24/21/444902421.db2.gz MDWNUVZBWIRYNX-UHFFFAOYSA-N -1 1 344.327 1.375 20 5 EDBDMM COc1c(F)cc(S(=O)(=O)[N-]C2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000337073490 444929476 /nfs/dbraw/zinc/92/94/76/444929476.db2.gz YEZQYXAOPQMBEK-UHFFFAOYSA-N -1 1 340.279 1.819 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(C)C)c([N+](=O)[O-])n1 ZINC000339042154 445004161 /nfs/dbraw/zinc/00/41/61/445004161.db2.gz DTSGNSXBKJYYJL-PWSUYJOCSA-N -1 1 346.409 1.151 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccncc2C)c([N+](=O)[O-])n1 ZINC000339045546 445006107 /nfs/dbraw/zinc/00/61/07/445006107.db2.gz UVDLBUQLZKNWDN-UHFFFAOYSA-N -1 1 339.377 1.036 20 5 EDBDMM C[C@@](CO)(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000360185505 445617750 /nfs/dbraw/zinc/61/77/50/445617750.db2.gz SJYRVWHBLRVHIE-INIZCTEOSA-N -1 1 331.328 1.375 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(Cc2cscn2)CC1 ZINC000358552438 445647305 /nfs/dbraw/zinc/64/73/05/445647305.db2.gz FXSKITXWHBROQH-UHFFFAOYSA-N -1 1 349.372 1.110 20 5 EDBDMM CSCC[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443481413 447058375 /nfs/dbraw/zinc/05/83/75/447058375.db2.gz FNVFGZUKLKIXLT-SSDOTTSWSA-N -1 1 326.421 1.049 20 5 EDBDMM O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000368813187 447127170 /nfs/dbraw/zinc/12/71/70/447127170.db2.gz DCMQMWWKEPHHCX-AWEZNQCLSA-N -1 1 339.311 1.938 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1ccc([S@@](C)=O)cc1 ZINC000445142032 447172927 /nfs/dbraw/zinc/17/29/27/447172927.db2.gz MOPPUHVUGIHOLB-UZKFNYRNSA-N -1 1 349.368 1.924 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccc(C)c(C)n2)c([N+](=O)[O-])n1 ZINC000416544958 447642241 /nfs/dbraw/zinc/64/22/41/447642241.db2.gz GJICPZGAERVNBD-UHFFFAOYSA-N -1 1 339.377 1.302 20 5 EDBDMM O=C(NC1CCC(OC(F)F)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000591085445 448257843 /nfs/dbraw/zinc/25/78/43/448257843.db2.gz ATTRXLNDLDFBOJ-UHFFFAOYSA-N -1 1 331.275 1.976 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccccc1F ZINC000566887548 448576903 /nfs/dbraw/zinc/57/69/03/448576903.db2.gz HAPDCAAZLVJLPB-UHFFFAOYSA-N -1 1 325.321 1.650 20 5 EDBDMM C[C@H](C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000594478221 449543764 /nfs/dbraw/zinc/54/37/64/449543764.db2.gz SKQKZLJJCDTSQK-SECBINFHSA-N -1 1 345.377 1.246 20 5 EDBDMM O=C(N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000594410423 449500591 /nfs/dbraw/zinc/50/05/91/449500591.db2.gz DJYANZOLNRFCNI-SCZZXKLOSA-N -1 1 349.265 1.925 20 5 EDBDMM O=C([O-])[C@]12COC[C@H]1CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000596656576 449589199 /nfs/dbraw/zinc/58/91/99/449589199.db2.gz MLKISEIXHNBKTQ-QMTHXVAHSA-N -1 1 326.736 1.781 20 5 EDBDMM O=C([O-])C12CC(C1)CN2Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000594734358 449656175 /nfs/dbraw/zinc/65/61/75/449656175.db2.gz YCNQKBOGSISBFP-UHFFFAOYSA-N -1 1 330.300 1.694 20 5 EDBDMM COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000609046153 449957755 /nfs/dbraw/zinc/95/77/55/449957755.db2.gz NAHOOQIAIUAGDW-UHFFFAOYSA-N -1 1 331.284 1.412 20 5 EDBDMM CN(Cc1nnc2ccccn21)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000609599426 450063583 /nfs/dbraw/zinc/06/35/83/450063583.db2.gz DIVJPVLDJHOTTD-UHFFFAOYSA-N -1 1 328.288 1.010 20 5 EDBDMM C[C@H](c1ccccc1)[C@@H](CO)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618390294 450191093 /nfs/dbraw/zinc/19/10/93/450191093.db2.gz QQEAEJJRYBKAKC-ZWNOBZJWSA-N -1 1 331.328 1.590 20 5 EDBDMM CCC[C@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000610714065 450308172 /nfs/dbraw/zinc/30/81/72/450308172.db2.gz IPTXIJIJYVEVOH-JTQLQIEISA-N -1 1 334.336 1.534 20 5 EDBDMM CCCC(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000603671261 450339900 /nfs/dbraw/zinc/33/99/00/450339900.db2.gz RJYSTUBKPAFHDV-UHFFFAOYSA-N -1 1 336.348 1.216 20 5 EDBDMM O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000619868247 450347299 /nfs/dbraw/zinc/34/72/99/450347299.db2.gz FPMZAEPIPIUYHK-QMMMGPOBSA-N -1 1 336.279 1.842 20 5 EDBDMM C[C@@H](CN(C)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000183409406 533724869 /nfs/dbraw/zinc/72/48/69/533724869.db2.gz QMVHDJAZKOYUPT-VIFPVBQESA-N -1 1 345.363 1.558 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN(C[C@H]2CCOC2)CC1 ZINC000178500768 534739934 /nfs/dbraw/zinc/73/99/34/534739934.db2.gz UJSJLXKNOXVSKX-GFCCVEGCSA-N -1 1 335.360 1.095 20 5 EDBDMM COC(=O)COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000345750352 536477922 /nfs/dbraw/zinc/47/79/22/536477922.db2.gz MHSWKPIFCZJPLU-UHFFFAOYSA-N -1 1 333.300 1.751 20 5 EDBDMM Cn1cc(C(C)(C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1 ZINC000742306284 579447610 /nfs/dbraw/zinc/44/76/10/579447610.db2.gz BPCIUSYBGDCZCR-UHFFFAOYSA-N -1 1 342.352 1.681 20 5 EDBDMM CCc1[nH]nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1[N+](=O)[O-] ZINC000737245930 579059422 /nfs/dbraw/zinc/05/94/22/579059422.db2.gz OLYZHSUYRKSVCL-GDPRMGEGSA-N -1 1 336.348 1.738 20 5 EDBDMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000754882785 579915148 /nfs/dbraw/zinc/91/51/48/579915148.db2.gz FZIGNTCCOXRNDE-JTQLQIEISA-N -1 1 346.336 1.354 20 5 EDBDMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000759160389 579999933 /nfs/dbraw/zinc/99/99/33/579999933.db2.gz UYIWIOTYQIGIFH-UHFFFAOYSA-N -1 1 327.293 1.944 20 5 EDBDMM Cn1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2cc(F)ccc21 ZINC000770467891 580261574 /nfs/dbraw/zinc/26/15/74/580261574.db2.gz PRUPGBWGJWZBJY-UHFFFAOYSA-N -1 1 345.290 1.651 20 5 EDBDMM O=C(NCCc1cccc([N+](=O)[O-])c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770681137 580267494 /nfs/dbraw/zinc/26/74/94/580267494.db2.gz ZZMOBBQFEUFMFD-UHFFFAOYSA-N -1 1 332.272 1.576 20 5 EDBDMM O=C(N[C@@H]1CC[C@H]2SCCS[C@@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770683195 580267651 /nfs/dbraw/zinc/26/76/51/580267651.db2.gz SRAJGEXJRFMRON-IEBDPFPHSA-N -1 1 341.414 1.805 20 5 EDBDMM CC(=CC(=O)N(C)C[C@@H](C)c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000773999592 580351426 /nfs/dbraw/zinc/35/14/26/580351426.db2.gz UXAJDZIFCGMDKU-HIJJYWJESA-N -1 1 330.348 1.773 20 5 EDBDMM O=C(NCCc1n[n-]c(=S)o1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000776538723 580419814 /nfs/dbraw/zinc/41/98/14/580419814.db2.gz TXORLPGKSHOVNG-UHFFFAOYSA-N -1 1 334.317 1.115 20 5 EDBDMM CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780073977 580511497 /nfs/dbraw/zinc/51/14/97/580511497.db2.gz AGMGSCDQERGXCP-MRVPVSSYSA-N -1 1 339.304 1.080 20 5 EDBDMM C[C@H]1CC2(CC([N-]S(=O)(=O)c3ccc([N+](=O)[O-])s3)C2)CO1 ZINC000907723405 592771378 /nfs/dbraw/zinc/77/13/78/592771378.db2.gz GPUZKQQZTNFWAB-QTZUAFFRSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000910362339 592844121 /nfs/dbraw/zinc/84/41/21/592844121.db2.gz IHHOPRVWPDRYDN-AWEZNQCLSA-N -1 1 349.387 1.984 20 5 EDBDMM O=C([O-])c1cc(N2CCC[C@H](N3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000910364010 592844551 /nfs/dbraw/zinc/84/45/51/592844551.db2.gz VELVWCRRITTWST-ZDUSSCGKSA-N -1 1 349.387 1.984 20 5 EDBDMM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)C1 ZINC000809811040 593361210 /nfs/dbraw/zinc/36/12/10/593361210.db2.gz WMVIFNCJODGFBM-ZETCQYMHSA-N -1 1 337.760 1.370 20 5 EDBDMM O=c1cc(/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2nc[n-]n21 ZINC000806571432 593458123 /nfs/dbraw/zinc/45/81/23/593458123.db2.gz VREXORREZFBLQX-IWQZZHSRSA-N -1 1 328.244 1.404 20 5 EDBDMM COC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814975010 593608214 /nfs/dbraw/zinc/60/82/14/593608214.db2.gz OBORQKCNRJBCPP-ZCFIWIBFSA-N -1 1 326.733 1.701 20 5 EDBDMM CCC[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815017318 593610015 /nfs/dbraw/zinc/61/00/15/593610015.db2.gz JCJUBEUEZCQQTH-SSDOTTSWSA-N -1 1 340.760 1.827 20 5 EDBDMM C[C@H](C[C@H](O)c1ccco1)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000820231137 593801072 /nfs/dbraw/zinc/80/10/72/593801072.db2.gz BAMDZYKGMBEMDX-SCZZXKLOSA-N -1 1 345.319 1.687 20 5 EDBDMM C[C@H](C[C@H](O)c1ccco1)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000820231137 593801073 /nfs/dbraw/zinc/80/10/73/593801073.db2.gz BAMDZYKGMBEMDX-SCZZXKLOSA-N -1 1 345.319 1.687 20 5 EDBDMM CC(C)[C@H](C)NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[n-]n1 ZINC000824193218 593952019 /nfs/dbraw/zinc/95/20/19/593952019.db2.gz VFRSTKLPQPDBIN-QMMMGPOBSA-N -1 1 340.365 1.098 20 5 EDBDMM COc1cccc(CCNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821868603 593957470 /nfs/dbraw/zinc/95/74/70/593957470.db2.gz SGRZYJYXUGLYKT-UHFFFAOYSA-N -1 1 341.331 1.833 20 5 EDBDMM COc1cccc(CCNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821868603 593957473 /nfs/dbraw/zinc/95/74/73/593957473.db2.gz SGRZYJYXUGLYKT-UHFFFAOYSA-N -1 1 341.331 1.833 20 5 EDBDMM CCN(CC)C(=O)CSc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825406030 594180070 /nfs/dbraw/zinc/18/00/70/594180070.db2.gz HAZPUTKEDKCIEV-UHFFFAOYSA-N -1 1 337.365 1.130 20 5 EDBDMM CCN(CC)C(=O)CSc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825406030 594180071 /nfs/dbraw/zinc/18/00/71/594180071.db2.gz HAZPUTKEDKCIEV-UHFFFAOYSA-N -1 1 337.365 1.130 20 5 EDBDMM CCOC(=O)C[C@@H](C)CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000825498783 594193436 /nfs/dbraw/zinc/19/34/36/594193436.db2.gz CEWFZOXBHJGIHK-MRVPVSSYSA-N -1 1 335.324 1.171 20 5 EDBDMM CCOC(=O)C[C@@H](C)CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000825498783 594193437 /nfs/dbraw/zinc/19/34/37/594193437.db2.gz CEWFZOXBHJGIHK-MRVPVSSYSA-N -1 1 335.324 1.171 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1ccccc1 ZINC000823619971 594221789 /nfs/dbraw/zinc/22/17/89/594221789.db2.gz DNIMSLFJXMABTE-LLVKDONJSA-N -1 1 327.304 1.315 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1ccccc1 ZINC000823619971 594221790 /nfs/dbraw/zinc/22/17/90/594221790.db2.gz DNIMSLFJXMABTE-LLVKDONJSA-N -1 1 327.304 1.315 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cn2ccccc2n1 ZINC000823624498 594222699 /nfs/dbraw/zinc/22/26/99/594222699.db2.gz AHCXNUWADYQQEL-UHFFFAOYSA-N -1 1 337.303 1.430 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cn2ccccc2n1 ZINC000823624498 594222700 /nfs/dbraw/zinc/22/27/00/594222700.db2.gz AHCXNUWADYQQEL-UHFFFAOYSA-N -1 1 337.303 1.430 20 5 EDBDMM O=[N+]([O-])c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000823647552 594224505 /nfs/dbraw/zinc/22/45/05/594224505.db2.gz MIBJDVSMMUUAIV-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM O=[N+]([O-])c1cccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000823647552 594224506 /nfs/dbraw/zinc/22/45/06/594224506.db2.gz MIBJDVSMMUUAIV-UHFFFAOYSA-N -1 1 329.232 1.870 20 5 EDBDMM CN(C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)C1(C(=O)[O-])CCCC1 ZINC000830537736 594416802 /nfs/dbraw/zinc/41/68/02/594416802.db2.gz PUQWEUKMGGBIKK-UHFFFAOYSA-N -1 1 332.316 1.941 20 5 EDBDMM C[C@@H]1CN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000828439591 594421153 /nfs/dbraw/zinc/42/11/53/594421153.db2.gz IVGVTKGSYDMWBI-PSASIEDQSA-N -1 1 341.751 1.839 20 5 EDBDMM C[C@H]1CN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C[C@H]1C(=O)[O-] ZINC000828465943 594428304 /nfs/dbraw/zinc/42/83/04/594428304.db2.gz ZEQMRJCAZHRWBP-CMPLNLGQSA-N -1 1 331.332 1.463 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826497114 594501839 /nfs/dbraw/zinc/50/18/39/594501839.db2.gz VCGRXTUHZVVJAF-GHMZBOCLSA-N -1 1 345.363 1.423 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000826497114 594501842 /nfs/dbraw/zinc/50/18/42/594501842.db2.gz VCGRXTUHZVVJAF-GHMZBOCLSA-N -1 1 345.363 1.423 20 5 EDBDMM CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000832310297 594741838 /nfs/dbraw/zinc/74/18/38/594741838.db2.gz QUYDOGNBXDHSHW-HZGVNTEJSA-N -1 1 340.760 1.825 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)c1 ZINC000832905183 594784234 /nfs/dbraw/zinc/78/42/34/594784234.db2.gz GIYOORANZJTDTJ-UHFFFAOYSA-N -1 1 339.329 1.741 20 5 EDBDMM CC1=C(C(=O)[O-])C[C@H](CN2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000833581083 594879561 /nfs/dbraw/zinc/87/95/61/594879561.db2.gz VLYIIOPVFJDFNE-OAHLLOKOSA-N -1 1 347.371 1.864 20 5 EDBDMM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841567982 594924320 /nfs/dbraw/zinc/92/43/20/594924320.db2.gz ZNTHZPPTHKYJDB-MRVPVSSYSA-N -1 1 349.796 1.440 20 5 EDBDMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000833764052 594924608 /nfs/dbraw/zinc/92/46/08/594924608.db2.gz UJBNWMJXJWTPLX-ZDUSSCGKSA-N -1 1 332.316 1.063 20 5 EDBDMM Cc1nn(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833920614 594965572 /nfs/dbraw/zinc/96/55/72/594965572.db2.gz LZDCSNSIJZDXRV-GXSJLCMTSA-N -1 1 348.363 1.583 20 5 EDBDMM Cc1nn(CN2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c2ncc([N+](=O)[O-])cc12 ZINC000833920614 594965573 /nfs/dbraw/zinc/96/55/73/594965573.db2.gz LZDCSNSIJZDXRV-GXSJLCMTSA-N -1 1 348.363 1.583 20 5 EDBDMM O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)c1cc(O)cc([N+](=O)[O-])c1)C2 ZINC000834016022 594990413 /nfs/dbraw/zinc/99/04/13/594990413.db2.gz NQASGZSCJBTQQU-FGWVZKOKSA-N -1 1 335.316 1.704 20 5 EDBDMM Cn1ncc(C[N-]C(=O)C(F)(F)Oc2ccc([N+](=O)[O-])cc2)n1 ZINC000848590469 595411303 /nfs/dbraw/zinc/41/13/03/595411303.db2.gz UOQPSETZWNRQGZ-UHFFFAOYSA-N -1 1 327.247 1.011 20 5 EDBDMM CC1(C)OC[C@H]2C[C@]21[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000859289927 596036086 /nfs/dbraw/zinc/03/60/86/596036086.db2.gz IEUMVBLYBVENCR-OQPBUACISA-N -1 1 330.337 1.580 20 5 EDBDMM O=C([C@H](O)c1cccc([N+](=O)[O-])c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000854342106 596043221 /nfs/dbraw/zinc/04/32/21/596043221.db2.gz HIPCGQVDHDBOAJ-GFCCVEGCSA-N -1 1 348.315 1.123 20 5 EDBDMM CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000859421855 596088089 /nfs/dbraw/zinc/08/80/89/596088089.db2.gz CWYIIMBHPDKBQV-WAAGHKOSSA-N -1 1 334.781 1.952 20 5 EDBDMM COc1ccc(NC(=O)CN(CCC(=O)[O-])C(C)C)c([N+](=O)[O-])c1 ZINC000738028275 600395325 /nfs/dbraw/zinc/39/53/25/600395325.db2.gz LVKODFVYWNXBOF-UHFFFAOYSA-N -1 1 339.348 1.727 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(=O)NC(C)(C)C ZINC000139416843 698971100 /nfs/dbraw/zinc/97/11/00/698971100.db2.gz CLMOKYXDZSBXPJ-QMMMGPOBSA-N -1 1 347.368 1.315 20 5 EDBDMM Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1=O ZINC000098052359 138297492 /nfs/dbraw/zinc/29/74/92/138297492.db2.gz NDWSHEOXCVLCDV-UHFFFAOYSA-N -1 1 343.748 1.748 20 5 EDBDMM C[C@@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C(=O)[O-] ZINC000424272214 252188836 /nfs/dbraw/zinc/18/88/36/252188836.db2.gz ZKKQEAOBUNCLJT-AMIZOPFISA-N -1 1 332.316 1.796 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])n1 ZINC000494362553 255247651 /nfs/dbraw/zinc/24/76/51/255247651.db2.gz BYVJKIRBCOKZCM-VIFPVBQESA-N -1 1 332.382 1.047 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccc([S@](C)=O)cc1 ZINC000339761551 142148253 /nfs/dbraw/zinc/14/82/53/142148253.db2.gz MOEISZXUOSZAQN-ITSYKEIMSA-N -1 1 349.368 1.924 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCCO)cc2)cc1 ZINC000347387902 143315528 /nfs/dbraw/zinc/31/55/28/143315528.db2.gz GDTXEAMLZHTMPI-UHFFFAOYSA-N -1 1 338.341 1.767 20 5 EDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000347942621 143382046 /nfs/dbraw/zinc/38/20/46/143382046.db2.gz UYCBCEOFVWDDTL-UHFFFAOYSA-N -1 1 328.288 1.676 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2cnn3ccccc23)s1 ZINC000352627350 149092341 /nfs/dbraw/zinc/09/23/41/149092341.db2.gz UQTIFOGFYZYNMO-UHFFFAOYSA-N -1 1 338.370 1.783 20 5 EDBDMM CCOC[C@@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)C ZINC000353822429 286140496 /nfs/dbraw/zinc/14/04/96/286140496.db2.gz FHYNBXMXNJSZJB-SNVBAGLBSA-N -1 1 334.398 1.151 20 5 EDBDMM O=C(Nc1nnn[n-]1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365435881 153517501 /nfs/dbraw/zinc/51/75/01/153517501.db2.gz FLWUPTJJANNVAA-DGCLKSJQSA-N -1 1 343.347 1.278 20 5 EDBDMM O=C(Nc1nn[n-]n1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]12 ZINC000365435881 153517504 /nfs/dbraw/zinc/51/75/04/153517504.db2.gz FLWUPTJJANNVAA-DGCLKSJQSA-N -1 1 343.347 1.278 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccccc2)C1 ZINC000373895347 157052593 /nfs/dbraw/zinc/05/25/93/157052593.db2.gz WVJRWUZIUICYPJ-CYBMUJFWSA-N -1 1 329.312 1.989 20 5 EDBDMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352149726 162015159 /nfs/dbraw/zinc/01/51/59/162015159.db2.gz QEIJAUAIXHFJNU-ZETCQYMHSA-N -1 1 334.288 1.296 20 5 EDBDMM COc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CCO2 ZINC000278169809 273251495 /nfs/dbraw/zinc/25/14/95/273251495.db2.gz YVVZERJCXXGEGP-LBPRGKRZSA-N -1 1 345.311 1.958 20 5 EDBDMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000279247550 273288499 /nfs/dbraw/zinc/28/84/99/273288499.db2.gz UVWIBJRUCYZJKW-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM COCCC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000281260722 273454465 /nfs/dbraw/zinc/45/44/65/273454465.db2.gz VJYWBKZFOCNQPK-UHFFFAOYSA-N -1 1 326.733 1.702 20 5 EDBDMM CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)c2ccc([N+](=O)[O-])cc2[O-])C1 ZINC000284509227 274228246 /nfs/dbraw/zinc/22/82/46/274228246.db2.gz DMTTVHDAQMIBFP-KOLCDFICSA-N -1 1 333.304 1.021 20 5 EDBDMM CC(=O)NCCC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000170658729 278102134 /nfs/dbraw/zinc/10/21/34/278102134.db2.gz HLOFUEITLTWSKL-UHFFFAOYSA-N -1 1 335.769 1.053 20 5 EDBDMM CC(C)(C)C[C@H](CO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000128778876 278336008 /nfs/dbraw/zinc/33/60/08/278336008.db2.gz RARABIPLHMYBRA-SECBINFHSA-N -1 1 334.369 1.809 20 5 EDBDMM C[C@@H](O)CC[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290645794 288930130 /nfs/dbraw/zinc/93/01/30/288930130.db2.gz DQPGBBJEUQTTQW-ZCFIWIBFSA-N -1 1 343.188 1.951 20 5 EDBDMM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000373217580 302509205 /nfs/dbraw/zinc/50/92/05/302509205.db2.gz AOYMDWRMBXWAEW-LBPRGKRZSA-N -1 1 347.331 1.249 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293966711 303045442 /nfs/dbraw/zinc/04/54/42/303045442.db2.gz BHLMEIKDSZGADV-ZDUSSCGKSA-N -1 1 333.344 1.727 20 5 EDBDMM COC(=O)c1ccc([O-])c(NC(=O)c2cccc([N+](=O)[O-])c2N)c1 ZINC000436518324 305159595 /nfs/dbraw/zinc/15/95/95/305159595.db2.gz JZFXWDZVVRHGCH-UHFFFAOYSA-N -1 1 331.284 1.922 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000436789334 305167252 /nfs/dbraw/zinc/16/72/52/305167252.db2.gz BLAYGQDPITZZEV-VIFPVBQESA-N -1 1 334.288 1.409 20 5 EDBDMM COC1CCC(C)(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000530531532 305942134 /nfs/dbraw/zinc/94/21/34/305942134.db2.gz SSCKYTYXJRZWNU-UHFFFAOYSA-N -1 1 343.405 1.863 20 5 EDBDMM CC1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C(C)(C)O1 ZINC000540868159 306041019 /nfs/dbraw/zinc/04/10/19/306041019.db2.gz OCKCMFYSOIZLTI-SNVBAGLBSA-N -1 1 329.378 1.614 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ccccc2)CC1 ZINC000016493476 441226512 /nfs/dbraw/zinc/22/65/12/441226512.db2.gz WVLLJKBARZRLDX-UHFFFAOYSA-N -1 1 328.328 1.658 20 5 EDBDMM O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160102437 441858597 /nfs/dbraw/zinc/85/85/97/441858597.db2.gz AGRFRMRDHVXDTH-UHFFFAOYSA-N -1 1 326.272 1.733 20 5 EDBDMM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000170787299 442264831 /nfs/dbraw/zinc/26/48/31/442264831.db2.gz DIDFIVWMHFCUFU-SECBINFHSA-N -1 1 342.352 1.815 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000184493049 443029187 /nfs/dbraw/zinc/02/91/87/443029187.db2.gz ZTFXXXODFLQOJP-QGZVFWFLSA-N -1 1 341.323 1.967 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190619434 443150320 /nfs/dbraw/zinc/15/03/20/443150320.db2.gz LCTDIOILISQEPC-IEBDPFPHSA-N -1 1 330.337 1.580 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000282733680 443419515 /nfs/dbraw/zinc/41/95/15/443419515.db2.gz ZYDXFSNJVKMCEE-CHWSQXEVSA-N -1 1 347.302 1.783 20 5 EDBDMM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278744938 443422688 /nfs/dbraw/zinc/42/26/88/443422688.db2.gz MZKSXXPYKYRHOY-MNOVXSKESA-N -1 1 348.352 1.206 20 5 EDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000267712462 443550878 /nfs/dbraw/zinc/55/08/78/443550878.db2.gz IITCUQOUOLLBLI-LLVKDONJSA-N -1 1 348.764 1.478 20 5 EDBDMM CC(C)[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C(N)=O ZINC000285208417 443895594 /nfs/dbraw/zinc/89/55/94/443895594.db2.gz DLDHWTIAULHASV-LBPRGKRZSA-N -1 1 349.796 1.427 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)Cc2ccccc2[N+](=O)[O-])o1 ZINC000546768469 320818189 /nfs/dbraw/zinc/81/81/89/320818189.db2.gz DHJKHMHKOLHFLB-MRVPVSSYSA-N -1 1 326.334 1.467 20 5 EDBDMM CCOC(=O)[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](C)CC ZINC000278079148 444089781 /nfs/dbraw/zinc/08/97/81/444089781.db2.gz GZCYGZIEQHNPSK-LDYMZIIASA-N -1 1 325.321 1.403 20 5 EDBDMM C[C@@]1([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CCOC1 ZINC000290711287 444313610 /nfs/dbraw/zinc/31/36/10/444313610.db2.gz JJDBYDVRQSWKNG-LLVKDONJSA-N -1 1 338.744 1.845 20 5 EDBDMM O=C(NC[C@@]1(CO)C[C@@H]1c1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000290799195 444324879 /nfs/dbraw/zinc/32/48/79/444324879.db2.gz DOJBUEXFNNTCFT-RHSMWYFYSA-N -1 1 343.339 1.591 20 5 EDBDMM CN(CC(=O)Nc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000342930867 444949414 /nfs/dbraw/zinc/94/94/14/444949414.db2.gz VDKOSIZDMSOGME-UHFFFAOYSA-N -1 1 330.300 1.406 20 5 EDBDMM Cc1cnc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c([O-])c1 ZINC000343104128 445067875 /nfs/dbraw/zinc/06/78/75/445067875.db2.gz IDEFFPUVSQVCTQ-UHFFFAOYSA-N -1 1 329.312 1.907 20 5 EDBDMM O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000339203135 445086413 /nfs/dbraw/zinc/08/64/13/445086413.db2.gz JOQLNROSADRCLD-JTQLQIEISA-N -1 1 348.315 1.468 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000611072330 450423473 /nfs/dbraw/zinc/42/34/73/450423473.db2.gz IPKMLFIIPIIFNO-QMMMGPOBSA-N -1 1 336.739 1.781 20 5 EDBDMM CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ncnc2[nH]cnc21 ZINC000356316786 445732245 /nfs/dbraw/zinc/73/22/45/445732245.db2.gz CLDYBQOJQNTXTC-UHFFFAOYSA-N -1 1 343.303 1.042 20 5 EDBDMM COc1nc(C)cc(C)c1CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000353921066 445813457 /nfs/dbraw/zinc/81/34/57/445813457.db2.gz CZPYXUYCSJJJFW-UHFFFAOYSA-N -1 1 332.316 1.646 20 5 EDBDMM C[C@@H]1[C@H](C(=O)[O-])CCN1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000583209925 326027672 /nfs/dbraw/zinc/02/76/72/326027672.db2.gz YBWYSRFWOKFUEM-BXKDBHETSA-N -1 1 332.316 1.940 20 5 EDBDMM COC(=O)c1c[n-]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1 ZINC000361995677 446137606 /nfs/dbraw/zinc/13/76/06/446137606.db2.gz ITBBIAWQMCHGAF-UHFFFAOYSA-N -1 1 336.329 1.835 20 5 EDBDMM COc1ccc2c(c1)OCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000365670366 446295197 /nfs/dbraw/zinc/29/51/97/446295197.db2.gz SBVVGFAIFGMBPT-LBPRGKRZSA-N -1 1 345.311 1.958 20 5 EDBDMM O=C(Nc1ccn(-c2ccncc2)n1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436966378 446741086 /nfs/dbraw/zinc/74/10/86/446741086.db2.gz PZCDYGJDEYHVRI-UHFFFAOYSA-N -1 1 325.284 2.133 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1nccc(C(F)F)n1 ZINC000553577318 447998416 /nfs/dbraw/zinc/99/84/16/447998416.db2.gz ZLTZOOVWHDFUCY-UHFFFAOYSA-N -1 1 345.287 1.196 20 5 EDBDMM CC(C)C[C@H](CCO)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532773928 448311324 /nfs/dbraw/zinc/31/13/24/448311324.db2.gz PHMICWVZWLHGAI-NSHDSACASA-N -1 1 331.394 1.313 20 5 EDBDMM COC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572609523 448421568 /nfs/dbraw/zinc/42/15/68/448421568.db2.gz SFLAEFXHGLDBBG-MRXNPFEDSA-N -1 1 348.359 1.784 20 5 EDBDMM COC[C@@]1(C(=O)[O-])CCCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572609523 448421572 /nfs/dbraw/zinc/42/15/72/448421572.db2.gz SFLAEFXHGLDBBG-MRXNPFEDSA-N -1 1 348.359 1.784 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 ZINC000590565639 449193606 /nfs/dbraw/zinc/19/36/06/449193606.db2.gz OIZYISAPIFWUDI-UHFFFAOYSA-N -1 1 328.288 1.770 20 5 EDBDMM CCc1ncc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)o1 ZINC000590763672 449283169 /nfs/dbraw/zinc/28/31/69/449283169.db2.gz MHWULKWMSJHLLT-UHFFFAOYSA-N -1 1 341.345 1.632 20 5 EDBDMM CC1(N2CCOCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000600411657 449362295 /nfs/dbraw/zinc/36/22/95/449362295.db2.gz SMTSZGPLHIMBNX-UHFFFAOYSA-N -1 1 349.387 1.627 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cc(CC(C)(C)C)[nH]n2)n1 ZINC000600668474 449482241 /nfs/dbraw/zinc/48/22/41/449482241.db2.gz QXYIMIONQGZCTC-UHFFFAOYSA-N -1 1 342.381 1.441 20 5 EDBDMM CCn1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000594839953 449747843 /nfs/dbraw/zinc/74/78/43/449747843.db2.gz UGQJTONOEJYABN-UHFFFAOYSA-N -1 1 345.768 1.338 20 5 EDBDMM C[C@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235585 449820239 /nfs/dbraw/zinc/82/02/39/449820239.db2.gz XOOSQYUGLDYREZ-TVQRCGJNSA-N -1 1 336.373 1.540 20 5 EDBDMM CCc1cc(C[N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])on1 ZINC000610161378 450148976 /nfs/dbraw/zinc/14/89/76/450148976.db2.gz HKMDFIIEEMAKEM-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])ccc1F ZINC000610260240 450172613 /nfs/dbraw/zinc/17/26/13/450172613.db2.gz BNGAXLFKXHWCJD-UHFFFAOYSA-N -1 1 325.321 1.916 20 5 EDBDMM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1nc(-c2ccccc2)n[n-]1 ZINC000618558879 450243792 /nfs/dbraw/zinc/24/37/92/450243792.db2.gz ULRIPRZODIWVQF-UHFFFAOYSA-N -1 1 348.344 1.087 20 5 EDBDMM Cn1cnc([N+](=O)[O-])c1CS(=O)(=O)c1n[n-]c(-c2ccccc2)n1 ZINC000618558879 450243797 /nfs/dbraw/zinc/24/37/97/450243797.db2.gz ULRIPRZODIWVQF-UHFFFAOYSA-N -1 1 348.344 1.087 20 5 EDBDMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000610776762 450332254 /nfs/dbraw/zinc/33/22/54/450332254.db2.gz RMABVXAZDQIMCT-LBPRGKRZSA-N -1 1 325.288 1.022 20 5 EDBDMM CC(C)[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccnn1C ZINC000616026603 450303966 /nfs/dbraw/zinc/30/39/66/450303966.db2.gz JHARIYOABWSTGU-LBPRGKRZSA-N -1 1 333.348 1.599 20 5 EDBDMM O=C([N-]c1nn2cnnc2s1)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000603880708 450364874 /nfs/dbraw/zinc/36/48/74/450364874.db2.gz APZDZIOFGTVBIL-UHFFFAOYSA-N -1 1 348.300 1.118 20 5 EDBDMM C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCN1CC(C)(C)O ZINC000188725057 524534694 /nfs/dbraw/zinc/53/46/94/524534694.db2.gz CABZPQKESBIRGL-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])OCCO1 ZINC000271084445 535155906 /nfs/dbraw/zinc/15/59/06/535155906.db2.gz YLWWXDRCQOKQGK-UHFFFAOYSA-N -1 1 336.753 1.290 20 5 EDBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000353410253 535980561 /nfs/dbraw/zinc/98/05/61/535980561.db2.gz GSZANEZLWXKIBG-GWCFXTLKSA-N -1 1 344.389 1.602 20 5 EDBDMM O=C([O-])N1CCC(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000740420427 579344251 /nfs/dbraw/zinc/34/42/51/579344251.db2.gz QRNRDXHFGANRSL-UHFFFAOYSA-N -1 1 347.331 1.591 20 5 EDBDMM O=C([O-])N1CC[C@H](CN2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000740504202 579354352 /nfs/dbraw/zinc/35/43/52/579354352.db2.gz TVLVDTZKXJMGAG-CYBMUJFWSA-N -1 1 334.376 1.717 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNc1nccnc1-c1nnn[n-]1 ZINC000737116918 579048578 /nfs/dbraw/zinc/04/85/78/579048578.db2.gz UMHAEPKGUNXQKR-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1CNc1nccnc1-c1nn[n-]n1 ZINC000737116918 579048579 /nfs/dbraw/zinc/04/85/79/579048579.db2.gz UMHAEPKGUNXQKR-UHFFFAOYSA-N -1 1 328.292 1.186 20 5 EDBDMM CCc1[nH]nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000737245937 579059390 /nfs/dbraw/zinc/05/93/90/579059390.db2.gz OLYZHSUYRKSVCL-MIMYLULJSA-N -1 1 336.348 1.738 20 5 EDBDMM O=C(OCCn1cc([N+](=O)[O-])cn1)c1nn(-c2ccccc2)cc1[O-] ZINC000801203305 581068071 /nfs/dbraw/zinc/06/80/71/581068071.db2.gz REPBNSMZKPFPEP-UHFFFAOYSA-N -1 1 343.299 1.540 20 5 EDBDMM COc1ccc(C[N@H+]2CCSC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901890436 591852866 /nfs/dbraw/zinc/85/28/66/591852866.db2.gz JBKIDFNNTPHMPB-NSHDSACASA-N -1 1 326.374 1.853 20 5 EDBDMM COc1ccc(CN2CCSC[C@@H](C(=O)[O-])C2)cc1[N+](=O)[O-] ZINC000901890436 591852869 /nfs/dbraw/zinc/85/28/69/591852869.db2.gz JBKIDFNNTPHMPB-NSHDSACASA-N -1 1 326.374 1.853 20 5 EDBDMM COC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809804882 593360210 /nfs/dbraw/zinc/36/02/10/593360210.db2.gz MFYBONXNMJXTAS-LURJTMIESA-N -1 1 326.733 1.701 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccnc(-c3nnn[n-]3)c2)c1 ZINC000822271367 594022378 /nfs/dbraw/zinc/02/23/78/594022378.db2.gz YHGLPJWUMHMXFM-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(C(=O)OCc2ccnc(-c3nn[n-]n3)c2)c1 ZINC000822271367 594022380 /nfs/dbraw/zinc/02/23/80/594022380.db2.gz YHGLPJWUMHMXFM-UHFFFAOYSA-N -1 1 340.299 1.835 20 5 EDBDMM NC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)cc1 ZINC000822885974 594117280 /nfs/dbraw/zinc/11/72/80/594117280.db2.gz WVJPQGYJYMANBQ-UHFFFAOYSA-N -1 1 327.260 1.061 20 5 EDBDMM NC(=O)c1ccc(Oc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)cc1 ZINC000822885974 594117281 /nfs/dbraw/zinc/11/72/81/594117281.db2.gz WVJPQGYJYMANBQ-UHFFFAOYSA-N -1 1 327.260 1.061 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccccc1O ZINC000823624733 594222507 /nfs/dbraw/zinc/22/25/07/594222507.db2.gz HRXVJMMWETZCFJ-UHFFFAOYSA-N -1 1 327.304 1.530 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccccc1O ZINC000823624733 594222508 /nfs/dbraw/zinc/22/25/08/594222508.db2.gz HRXVJMMWETZCFJ-UHFFFAOYSA-N -1 1 327.304 1.530 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCc1ccc(Cl)nc1 ZINC000823625156 594222658 /nfs/dbraw/zinc/22/26/58/594222658.db2.gz RHFKLXAETRFEFJ-UHFFFAOYSA-N -1 1 346.738 1.873 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCc1ccc(Cl)nc1 ZINC000823625156 594222659 /nfs/dbraw/zinc/22/26/59/594222659.db2.gz RHFKLXAETRFEFJ-UHFFFAOYSA-N -1 1 346.738 1.873 20 5 EDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1sccc1[N+](=O)[O-] ZINC000825938405 594285940 /nfs/dbraw/zinc/28/59/40/594285940.db2.gz RXRXZJNMCMVUEG-UHFFFAOYSA-N -1 1 349.380 1.211 20 5 EDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1sccc1[N+](=O)[O-] ZINC000825938405 594285941 /nfs/dbraw/zinc/28/59/41/594285941.db2.gz RXRXZJNMCMVUEG-UHFFFAOYSA-N -1 1 349.380 1.211 20 5 EDBDMM CN1CCO[C@H]2CN(c3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]21 ZINC000830964098 594526621 /nfs/dbraw/zinc/52/66/21/594526621.db2.gz HKTLISHQSOKEMA-STQMWFEESA-N -1 1 341.751 1.466 20 5 EDBDMM CCCc1[nH]nc(C(=O)N(C)[C@@H]2CCN(C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949353 594608128 /nfs/dbraw/zinc/60/81/28/594608128.db2.gz MESJSMFBMAFGPN-MRVPVSSYSA-N -1 1 325.325 1.095 20 5 EDBDMM CCCc1[nH]nc(C(=O)N2CC[C@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000826949214 594608189 /nfs/dbraw/zinc/60/81/89/594608189.db2.gz LHOFKFNRTZGJLX-QMMMGPOBSA-N -1 1 325.325 1.095 20 5 EDBDMM CCc1nc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)co1 ZINC000832478566 594753275 /nfs/dbraw/zinc/75/32/75/594753275.db2.gz NWYMVTFRONFHJM-UHFFFAOYSA-N -1 1 341.345 1.632 20 5 EDBDMM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCN(CCO)CC2)cc1Cl ZINC000833306914 594824092 /nfs/dbraw/zinc/82/40/92/594824092.db2.gz GJMJESCMHGXMGR-UHFFFAOYSA-N -1 1 343.767 1.451 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C)cc1F ZINC000867092353 594845886 /nfs/dbraw/zinc/84/58/86/594845886.db2.gz JXLIBHWAPKBYCD-ZANVPECISA-N -1 1 332.353 1.888 20 5 EDBDMM Cc1nn(CN2CC[C@H](CNC(=O)[O-])C2)c2cc([N+](=O)[O-])ccc12 ZINC000833920882 594965910 /nfs/dbraw/zinc/96/59/10/594965910.db2.gz ODZRUPOJWOMQKV-LLVKDONJSA-N -1 1 333.348 1.800 20 5 EDBDMM Cc1nn(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC000833921019 594965999 /nfs/dbraw/zinc/96/59/99/594965999.db2.gz PZQLGKREJCGCCD-XQQFMLRXSA-N -1 1 337.380 1.734 20 5 EDBDMM CC(C)[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842367588 595087426 /nfs/dbraw/zinc/08/74/26/595087426.db2.gz LAHGMNOXCJFARH-JHJVBQTASA-N -1 1 326.374 1.495 20 5 EDBDMM O=C([C@@H](O)c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847090253 595361924 /nfs/dbraw/zinc/36/19/24/595361924.db2.gz IQBSYRLKEDMYHE-JQWIXIFHSA-N -1 1 348.315 1.123 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CO[C@@H](C2CC2)C1 ZINC000859367741 596069111 /nfs/dbraw/zinc/06/91/11/596069111.db2.gz LQMAHRQFZLLQCP-MWLCHTKSSA-N -1 1 330.337 1.580 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2CCOCC2)cc1F ZINC000866681950 596292537 /nfs/dbraw/zinc/29/25/37/596292537.db2.gz CUURMLCWISXBHL-UHFFFAOYSA-N -1 1 332.353 1.747 20 5 EDBDMM C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@H](C)N1C(=O)[O-] ZINC000739174414 602809200 /nfs/dbraw/zinc/80/92/00/602809200.db2.gz NDACLRAXIBOJLT-IUCAKERBSA-N -1 1 347.331 1.684 20 5 EDBDMM Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CCO1 ZINC000412394654 304005348 /nfs/dbraw/zinc/00/53/48/304005348.db2.gz QZALOODEVXFJMR-ZANVPECISA-N -1 1 347.331 1.079 20 5 EDBDMM COCCN(Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186774006 236014662 /nfs/dbraw/zinc/01/46/62/236014662.db2.gz JBUAVDZWKBFWOL-UHFFFAOYSA-N -1 1 331.328 1.984 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCCO[C@@H]1CCCCO1 ZINC000564122233 306356161 /nfs/dbraw/zinc/35/61/61/306356161.db2.gz ORNUYTDPNVZAPI-GFCCVEGCSA-N -1 1 345.377 1.201 20 5 EDBDMM CCC[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC1 ZINC000285468356 201330954 /nfs/dbraw/zinc/33/09/54/201330954.db2.gz ZXRXYDBJQZHGTO-ZDUSSCGKSA-N -1 1 332.353 1.971 20 5 EDBDMM C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000340450667 296138736 /nfs/dbraw/zinc/13/87/36/296138736.db2.gz WLQIJCKEAIAGNG-SCSAIBSYSA-N -1 1 343.144 1.653 20 5 EDBDMM COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000567613037 306456816 /nfs/dbraw/zinc/45/68/16/306456816.db2.gz KBRQWVPQOSFCGL-ZDUSSCGKSA-N -1 1 330.362 1.770 20 5 EDBDMM CC(C)C[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000158417618 206191132 /nfs/dbraw/zinc/19/11/32/206191132.db2.gz SLBLEWIUGZIQOG-SNVBAGLBSA-N -1 1 336.797 1.934 20 5 EDBDMM CN1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC1=O ZINC000160088039 206279611 /nfs/dbraw/zinc/27/96/11/206279611.db2.gz WCQUPOTZMCVAJB-VIFPVBQESA-N -1 1 347.780 1.147 20 5 EDBDMM C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000270483097 140108956 /nfs/dbraw/zinc/10/89/56/140108956.db2.gz JTALWGAQRMGGMK-SECBINFHSA-N -1 1 346.258 1.326 20 5 EDBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nnn[n-]1 ZINC000339954131 142211419 /nfs/dbraw/zinc/21/14/19/142211419.db2.gz IHKWUYHIFHMOOF-UHFFFAOYSA-N -1 1 327.098 1.431 20 5 EDBDMM Cc1c(Br)cc([N+](=O)[O-])cc1C(=O)Nc1nn[n-]n1 ZINC000339954131 142211420 /nfs/dbraw/zinc/21/14/20/142211420.db2.gz IHKWUYHIFHMOOF-UHFFFAOYSA-N -1 1 327.098 1.431 20 5 EDBDMM C[N@@H+]1CCC[C@@H](CCNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000416559830 304331382 /nfs/dbraw/zinc/33/13/82/304331382.db2.gz KLQJEMPUYGHJGK-NSHDSACASA-N -1 1 345.396 1.744 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)c([N+](=O)[O-])n1 ZINC000416550210 304331108 /nfs/dbraw/zinc/33/11/08/304331108.db2.gz DRLCMSZQANUTPI-UHFFFAOYSA-N -1 1 328.394 1.812 20 5 EDBDMM O=C(NC[C@@H]1CCC[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000363732260 153042262 /nfs/dbraw/zinc/04/22/62/153042262.db2.gz GNHJBKDKTBCMPS-JSGCOSHPSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2CC2[N+](=O)[O-])C[C@H]1c1ccc(Cl)cc1 ZINC000367837791 154293576 /nfs/dbraw/zinc/29/35/76/154293576.db2.gz VUZFAXBBCYWITD-XQHKEYJVSA-N -1 1 338.747 1.632 20 5 EDBDMM Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)o1 ZINC000575931523 306674172 /nfs/dbraw/zinc/67/41/72/306674172.db2.gz KOFFMBFHBNPAPF-SECBINFHSA-N -1 1 340.361 1.943 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]1COc2ccccc21 ZINC000187204679 279449916 /nfs/dbraw/zinc/44/99/16/279449916.db2.gz DEEMBWKDTMKNFV-JOYOIKCWSA-N -1 1 329.312 1.990 20 5 EDBDMM O=C(NCCCO[C@@H]1CCCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000295002576 303161350 /nfs/dbraw/zinc/16/13/50/303161350.db2.gz UWQABXXLOSQABA-GFCCVEGCSA-N -1 1 325.321 1.359 20 5 EDBDMM C[C@@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451961974 305374420 /nfs/dbraw/zinc/37/44/20/305374420.db2.gz GXIPEJGAJBNBGF-QMMMGPOBSA-N -1 1 330.391 1.299 20 5 EDBDMM NC(=O)[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000014098065 441171189 /nfs/dbraw/zinc/17/11/89/441171189.db2.gz HELGUTRHWJNLSI-ZDUSSCGKSA-N -1 1 335.341 1.100 20 5 EDBDMM CC[C@H](C)[C@@H](O)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000119398650 441932173 /nfs/dbraw/zinc/93/21/73/441932173.db2.gz UCKVHNPYFMGPCD-KWQFWETISA-N -1 1 336.797 1.934 20 5 EDBDMM CCc1nn(C)c(CC)c1CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153174768 442266295 /nfs/dbraw/zinc/26/62/95/442266295.db2.gz AOUPJLGXCDGFHD-UHFFFAOYSA-N -1 1 333.348 1.484 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)s1 ZINC000129334329 442312066 /nfs/dbraw/zinc/31/20/66/442312066.db2.gz IFHRNBNFGQPMHJ-OPRDCNLKSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C(NCc1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000193341261 442734824 /nfs/dbraw/zinc/73/48/24/442734824.db2.gz BRQGJZJIAXWPSP-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000193687905 442767287 /nfs/dbraw/zinc/76/72/87/442767287.db2.gz UDIZRSKHMVARFP-SNVBAGLBSA-N -1 1 346.347 1.675 20 5 EDBDMM O=C(c1cncc([O-])c1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000324686500 318943737 /nfs/dbraw/zinc/94/37/37/318943737.db2.gz PIDGFMZXYWSPKJ-UHFFFAOYSA-N -1 1 329.316 1.053 20 5 EDBDMM O=C(N[C@@H]1CCN(c2ccc(F)cc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000412957957 319254050 /nfs/dbraw/zinc/25/40/50/319254050.db2.gz YEVLEIFYDVIZLC-GFCCVEGCSA-N -1 1 346.318 1.843 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])n1 ZINC000416578557 319446950 /nfs/dbraw/zinc/44/69/50/319446950.db2.gz GYQMBRKZLJEHHX-VXGBXAGGSA-N -1 1 342.421 1.916 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273042252 443526808 /nfs/dbraw/zinc/52/68/08/443526808.db2.gz FDSCEUINMBFYAO-KGLIPLIRSA-N -1 1 344.364 1.970 20 5 EDBDMM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)OC ZINC000443713842 320110236 /nfs/dbraw/zinc/11/02/36/320110236.db2.gz BBMHWKGPZBXSGA-GWCFXTLKSA-N -1 1 344.389 1.602 20 5 EDBDMM O=C(CN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1)Nc1ccccc1[N+](=O)[O-] ZINC000280988972 443790540 /nfs/dbraw/zinc/79/05/40/443790540.db2.gz KREVWUBBNDSHSM-ZBEGNZNMSA-N -1 1 333.344 1.720 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000292732394 443829979 /nfs/dbraw/zinc/82/99/79/443829979.db2.gz ZKXRANZWNTVZKD-STQMWFEESA-N -1 1 333.344 1.869 20 5 EDBDMM O=C(NCC(F)(F)Br)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000288347339 443851307 /nfs/dbraw/zinc/85/13/07/443851307.db2.gz VZAQOIZYLRNXAY-UHFFFAOYSA-N -1 1 326.053 1.413 20 5 EDBDMM CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C[C@@H](C)[S@]1=O ZINC000289430121 444141496 /nfs/dbraw/zinc/14/14/96/444141496.db2.gz SVHIICFFYLUOJZ-SNLDROCSSA-N -1 1 327.362 1.067 20 5 EDBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000339023192 444992378 /nfs/dbraw/zinc/99/23/78/444992378.db2.gz ZRECJEUUXZXGSG-GFCCVEGCSA-N -1 1 334.419 1.876 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2cccnc2)c([N+](=O)[O-])n1 ZINC000339048201 445008117 /nfs/dbraw/zinc/00/81/17/445008117.db2.gz QBSFOMPDROUZEH-SECBINFHSA-N -1 1 325.350 1.246 20 5 EDBDMM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1OC ZINC000356222860 445683852 /nfs/dbraw/zinc/68/38/52/445683852.db2.gz PPRKZGAGUVQLDC-RNSXUZJQSA-N -1 1 336.391 1.127 20 5 EDBDMM Cc1sc(S(=O)(=O)[N-]CC[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349961680 445734707 /nfs/dbraw/zinc/73/47/07/445734707.db2.gz BRZIPHZFWQNKKU-SSDOTTSWSA-N -1 1 348.324 1.556 20 5 EDBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000358892387 445835709 /nfs/dbraw/zinc/83/57/09/445835709.db2.gz FRDYHSQXZOZMGM-UHFFFAOYSA-N -1 1 342.308 1.686 20 5 EDBDMM Cc1c([C@@H]2CCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cnn1C ZINC000373223569 446104274 /nfs/dbraw/zinc/10/42/74/446104274.db2.gz YWXHHLDLOGIFJA-LBPRGKRZSA-N -1 1 331.332 1.715 20 5 EDBDMM CC(C)[C@@H](CO)[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C(C)C ZINC000452955168 446515085 /nfs/dbraw/zinc/51/50/85/446515085.db2.gz YSTXROIWNNKYPQ-CHWSQXEVSA-N -1 1 325.365 1.714 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375594522 446913346 /nfs/dbraw/zinc/91/33/46/446913346.db2.gz AUCPTZAIJCQVLG-VIFPVBQESA-N -1 1 345.315 1.586 20 5 EDBDMM CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000445005262 447154865 /nfs/dbraw/zinc/15/48/65/447154865.db2.gz RKIWGMFUHQRVPA-VIFPVBQESA-N -1 1 337.332 1.499 20 5 EDBDMM CCC[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000445216247 447178155 /nfs/dbraw/zinc/17/81/55/447178155.db2.gz NUYSHHCTSDODAW-SNVBAGLBSA-N -1 1 339.348 1.936 20 5 EDBDMM CCOC(=O)c1nnsc1[N-]C(=O)c1nn(CC)cc1[N+](=O)[O-] ZINC000427250657 447568703 /nfs/dbraw/zinc/56/87/03/447568703.db2.gz SYUOLFYACCLHLI-UHFFFAOYSA-N -1 1 340.321 1.092 20 5 EDBDMM O=C([O-])CN(CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000577411475 448291692 /nfs/dbraw/zinc/29/16/92/448291692.db2.gz JXOVEXWXZBMICX-UHFFFAOYSA-N -1 1 342.373 1.308 20 5 EDBDMM CC[C@H]1CN(c2ncc(C(=O)[O-])cc2[N+](=O)[O-])CCN1CCOC ZINC000516653833 448458265 /nfs/dbraw/zinc/45/82/65/448458265.db2.gz XSUJQNGUJDFOGU-LBPRGKRZSA-N -1 1 338.364 1.235 20 5 EDBDMM Cc1nc(CN2CCN(c3ccc([N+](=O)[O-])c(C(=O)[O-])c3)CC2)n[nH]1 ZINC000568752503 448914748 /nfs/dbraw/zinc/91/47/48/448914748.db2.gz QGGCZZVXPMBLNN-UHFFFAOYSA-N -1 1 346.347 1.042 20 5 EDBDMM O=c1cc(/C=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)nc2nc[n-]n21 ZINC000588307055 448893858 /nfs/dbraw/zinc/89/38/58/448893858.db2.gz YQKXKNZTCOQZJE-OWOJBTEDSA-N -1 1 341.283 1.267 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000594479587 449543841 /nfs/dbraw/zinc/54/38/41/449543841.db2.gz CRZBONGKKZCWOK-SNVBAGLBSA-N -1 1 339.377 1.116 20 5 EDBDMM C[C@@]1(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)COc2ccccc2O1 ZINC000600832596 449570121 /nfs/dbraw/zinc/57/01/21/449570121.db2.gz YJCCMVNZRDXBGK-MRXNPFEDSA-N -1 1 345.311 1.655 20 5 EDBDMM CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000598777593 449595733 /nfs/dbraw/zinc/59/57/33/449595733.db2.gz YWTVMXYZXNRIGS-IAQYHMDHSA-N -1 1 337.332 1.547 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@H](CO)CC1CC1 ZINC000594865898 449780168 /nfs/dbraw/zinc/78/01/68/449780168.db2.gz SXZLSSHVIPLDCB-SNVBAGLBSA-N -1 1 348.808 1.935 20 5 EDBDMM Cc1ccncc1[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599273613 449849369 /nfs/dbraw/zinc/84/93/69/449849369.db2.gz RVFWIDLHQZSYQY-VIFPVBQESA-N -1 1 325.350 1.071 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC[C@@H]2CC=CCC2)c([N+](=O)[O-])n1 ZINC000599445707 449981350 /nfs/dbraw/zinc/98/13/50/449981350.db2.gz OLNLTWDJLHQFLV-LLVKDONJSA-N -1 1 328.394 1.836 20 5 EDBDMM Cc1n[nH]c(C(=O)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000734735521 578834382 /nfs/dbraw/zinc/83/43/82/578834382.db2.gz YFRBVULIDCLFOV-UHFFFAOYSA-N -1 1 338.345 1.362 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])OC1CCCCC1 ZINC000751977053 579831454 /nfs/dbraw/zinc/83/14/54/579831454.db2.gz KDNJFUBCLJABBE-UHFFFAOYSA-N -1 1 343.361 1.144 20 5 EDBDMM CCO[C@@H](C)c1nccn1CC(=O)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC000764959195 580132087 /nfs/dbraw/zinc/13/20/87/580132087.db2.gz BAGLDPWTHONJMF-NSHDSACASA-N -1 1 346.343 1.845 20 5 EDBDMM O=C([N-]CC1CCN(Cn2cc([N+](=O)[O-])cn2)CC1)C(F)(F)F ZINC000799141163 581018489 /nfs/dbraw/zinc/01/84/89/581018489.db2.gz RHPQAMYYLMVZJR-UHFFFAOYSA-N -1 1 335.286 1.139 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl)C(N)=O ZINC000809392035 593336131 /nfs/dbraw/zinc/33/61/31/593336131.db2.gz GFIPYEPXLQGPNS-SCSAIBSYSA-N -1 1 342.160 1.054 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1F)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773161711 593458573 /nfs/dbraw/zinc/45/85/73/593458573.db2.gz ZMBMWBOROXTZRE-JTQLQIEISA-N -1 1 338.324 1.177 20 5 EDBDMM CC(C)[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815019143 593609957 /nfs/dbraw/zinc/60/99/57/593609957.db2.gz DEXQLKUXFAAGRI-SNVBAGLBSA-N -1 1 340.760 1.683 20 5 EDBDMM CC(C)(C)[S@](=O)CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000819950671 593779053 /nfs/dbraw/zinc/77/90/53/593779053.db2.gz KTXIUWLYWQPWDE-HSZRJFAPSA-N -1 1 339.381 1.129 20 5 EDBDMM CC(C)(C)[S@](=O)CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000819950671 593779054 /nfs/dbraw/zinc/77/90/54/593779054.db2.gz KTXIUWLYWQPWDE-HSZRJFAPSA-N -1 1 339.381 1.129 20 5 EDBDMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1 ZINC000821601495 593876489 /nfs/dbraw/zinc/87/64/89/593876489.db2.gz KMNHZBIWLSZZRL-UHFFFAOYSA-N -1 1 343.351 1.149 20 5 EDBDMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1 ZINC000821601495 593876492 /nfs/dbraw/zinc/87/64/92/593876492.db2.gz KMNHZBIWLSZZRL-UHFFFAOYSA-N -1 1 343.351 1.149 20 5 EDBDMM O=C([O-])N(CC1CC1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000831827014 594705715 /nfs/dbraw/zinc/70/57/15/594705715.db2.gz ZANUVCXCRQJZJO-UHFFFAOYSA-N -1 1 337.380 1.646 20 5 EDBDMM CCc1nc(C[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])co1 ZINC000832472579 594752907 /nfs/dbraw/zinc/75/29/07/594752907.db2.gz ATFRFBRMPCKEST-UHFFFAOYSA-N -1 1 325.346 1.932 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NC ZINC000832745528 594773664 /nfs/dbraw/zinc/77/36/64/594773664.db2.gz KPVVRWCNAOSHCY-QMMMGPOBSA-N -1 1 335.769 1.051 20 5 EDBDMM O=C([O-])C[C@H]1CCC[N@H+]1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833211815 594805144 /nfs/dbraw/zinc/80/51/44/594805144.db2.gz NUBFIIIXMCHMJW-GFCCVEGCSA-N -1 1 331.332 1.750 20 5 EDBDMM O=C([O-])C[C@H]1CCCN1Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000833211815 594805145 /nfs/dbraw/zinc/80/51/45/594805145.db2.gz NUBFIIIXMCHMJW-GFCCVEGCSA-N -1 1 331.332 1.750 20 5 EDBDMM CO[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C12CCC2 ZINC000841548449 594920464 /nfs/dbraw/zinc/92/04/64/594920464.db2.gz IWXFQXGSFCVILK-RYUDHWBXSA-N -1 1 344.364 1.970 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H]2CC[C@H](C)O2)cc1F ZINC000867379081 595431364 /nfs/dbraw/zinc/43/13/64/595431364.db2.gz HKLNNSJUBRHNBD-UWVGGRQHSA-N -1 1 332.353 1.888 20 5 EDBDMM CCn1nccc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000851897678 595967351 /nfs/dbraw/zinc/96/73/51/595967351.db2.gz POBRUODCQQRCFY-UHFFFAOYSA-N -1 1 344.780 1.943 20 5 EDBDMM O=[N+]([O-])c1c([N-]c2cnn(C(F)F)c2)ncnc1N1CCOCC1 ZINC000856741751 596068614 /nfs/dbraw/zinc/06/86/14/596068614.db2.gz SBCWVVMQGJZHDE-UHFFFAOYSA-N -1 1 341.278 1.557 20 5 EDBDMM C/C=C/C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OCC ZINC000559502811 306255797 /nfs/dbraw/zinc/25/57/97/306255797.db2.gz UIYHEAYVHGKBRQ-RXNUUUNCSA-N -1 1 343.361 1.166 20 5 EDBDMM C[C@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)C[C@H](C)O1 ZINC000028940647 201064676 /nfs/dbraw/zinc/06/46/76/201064676.db2.gz FMSXIZBRQNRTNE-RYUDHWBXSA-N -1 1 337.376 1.530 20 5 EDBDMM CCCc1cc(=O)[n-]c(SCCn2cc([N+](=O)[O-])ccc2=O)n1 ZINC000194968049 139003496 /nfs/dbraw/zinc/00/34/96/139003496.db2.gz KJIVBMNMWCXFOS-UHFFFAOYSA-N -1 1 336.373 1.997 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000331213350 296187319 /nfs/dbraw/zinc/18/73/19/296187319.db2.gz LSOIQRCLQVCISR-NSHDSACASA-N -1 1 335.238 1.225 20 5 EDBDMM CCCC(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000263710500 139354636 /nfs/dbraw/zinc/35/46/36/139354636.db2.gz QKANWNLJVUJYHA-SNVBAGLBSA-N -1 1 336.348 1.216 20 5 EDBDMM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n[nH]1 ZINC000270544651 140120832 /nfs/dbraw/zinc/12/08/32/140120832.db2.gz CZRORFFMMHHJGA-SSDOTTSWSA-N -1 1 343.340 1.454 20 5 EDBDMM CCc1nnc([C@@H](C)[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[nH]1 ZINC000270544651 140120835 /nfs/dbraw/zinc/12/08/35/140120835.db2.gz CZRORFFMMHHJGA-SSDOTTSWSA-N -1 1 343.340 1.454 20 5 EDBDMM O=C(Cc1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000332412193 141177574 /nfs/dbraw/zinc/17/75/74/141177574.db2.gz RXJPLQRPOJOPNE-LLVKDONJSA-N -1 1 332.316 1.632 20 5 EDBDMM COC(=O)[C@H](CF)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000344962758 143031741 /nfs/dbraw/zinc/03/17/41/143031741.db2.gz YEPINOLSYLMVGD-ZETCQYMHSA-N -1 1 340.716 1.038 20 5 EDBDMM CCOC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(C)C ZINC000353822427 286169183 /nfs/dbraw/zinc/16/91/83/286169183.db2.gz FHYNBXMXNJSZJB-JTQLQIEISA-N -1 1 334.398 1.151 20 5 EDBDMM NC(=O)c1ccn(-c2ccccc2NC(=O)c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000357758657 151141434 /nfs/dbraw/zinc/14/14/34/151141434.db2.gz NFNJULSNUCOVBY-UHFFFAOYSA-N -1 1 340.299 1.460 20 5 EDBDMM Cc1ncccc1O[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000369585761 155099678 /nfs/dbraw/zinc/09/96/78/155099678.db2.gz CFWFLOKTGIIDCN-LBPRGKRZSA-N -1 1 344.327 1.692 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2ncc(C)o2)c([N+](=O)[O-])n1 ZINC000352089397 161968170 /nfs/dbraw/zinc/96/81/70/161968170.db2.gz LLNDYTFOZHQLNO-MRVPVSSYSA-N -1 1 329.338 1.147 20 5 EDBDMM CCNC(=O)C(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000120412854 287361215 /nfs/dbraw/zinc/36/12/15/287361215.db2.gz ALMWAFMSJGRRPD-UHFFFAOYSA-N -1 1 335.407 1.097 20 5 EDBDMM O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130274107 287489614 /nfs/dbraw/zinc/48/96/14/287489614.db2.gz BTGXJAIDFJNNMD-SSDOTTSWSA-N -1 1 334.254 1.062 20 5 EDBDMM C[C@@H](CC(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275036050 268269581 /nfs/dbraw/zinc/26/95/81/268269581.db2.gz DBRPHUFENFZCAA-QMMMGPOBSA-N -1 1 348.352 1.902 20 5 EDBDMM Cn1cnc([N+](=O)[O-])c1N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000281733115 273521147 /nfs/dbraw/zinc/52/11/47/273521147.db2.gz DPMUWAPVFVTPDC-UHFFFAOYSA-N -1 1 335.286 1.223 20 5 EDBDMM O=C([N-]CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)C(F)(F)F ZINC000281794313 273531733 /nfs/dbraw/zinc/53/17/33/273531733.db2.gz SJQOUUUHEFNEEH-UHFFFAOYSA-N -1 1 348.281 1.454 20 5 EDBDMM CO[C@@H]1CC[C@H]2OCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@@H]2C1 ZINC000373752955 277296824 /nfs/dbraw/zinc/29/68/24/277296824.db2.gz GAWLEURUSDFZFM-NQBHXWOUSA-N -1 1 337.332 1.104 20 5 EDBDMM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000274952515 280226023 /nfs/dbraw/zinc/22/60/23/280226023.db2.gz GMJBGRSPFVKEJT-VIFPVBQESA-N -1 1 334.325 1.512 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]CCCCCO)cc1Cl ZINC000289875231 288795134 /nfs/dbraw/zinc/79/51/34/288795134.db2.gz NZVSVIRCVPXXES-UHFFFAOYSA-N -1 1 340.760 1.828 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCOC2)cc1Cl ZINC000290045215 288828110 /nfs/dbraw/zinc/82/81/10/288828110.db2.gz ABBQASBNLKDVHA-SSDOTTSWSA-N -1 1 338.744 1.845 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000293710140 303007174 /nfs/dbraw/zinc/00/71/74/303007174.db2.gz DORSVBRXFBHAFS-NSHDSACASA-N -1 1 334.781 1.952 20 5 EDBDMM Cc1nc(N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)ncc1[N+](=O)[O-] ZINC000295692756 303253253 /nfs/dbraw/zinc/25/32/53/303253253.db2.gz OSGSHJYZJSMDDY-VIFPVBQESA-N -1 1 347.297 1.588 20 5 EDBDMM CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000435931904 305149620 /nfs/dbraw/zinc/14/96/20/305149620.db2.gz AFOYKOJPGGIWOI-UHFFFAOYSA-N -1 1 341.320 1.859 20 5 EDBDMM O=C(NCc1ccc(OC(F)F)cn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000447189808 305275181 /nfs/dbraw/zinc/27/51/81/305275181.db2.gz BDAMJTSFMDNGQP-UHFFFAOYSA-N -1 1 340.242 1.622 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000527290962 305844237 /nfs/dbraw/zinc/84/42/37/305844237.db2.gz QDIUZXOPVCLMON-UHFFFAOYSA-N -1 1 343.311 1.789 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000123336044 441884740 /nfs/dbraw/zinc/88/47/40/441884740.db2.gz AROOFMLVXWIXAW-RKDXNWHRSA-N -1 1 335.238 1.223 20 5 EDBDMM CS(=O)(=O)c1cc(C(=O)[N-]c2nncs2)cc([N+](=O)[O-])c1 ZINC000146285563 441896788 /nfs/dbraw/zinc/89/67/88/441896788.db2.gz XOWBYZJGOWCIBE-UHFFFAOYSA-N -1 1 328.331 1.102 20 5 EDBDMM CC(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146563251 441897431 /nfs/dbraw/zinc/89/74/31/441897431.db2.gz NYPKPBMPHIRFFD-UHFFFAOYSA-N -1 1 335.769 1.051 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H]2CCO[C@@H]21 ZINC000153436963 442282699 /nfs/dbraw/zinc/28/26/99/442282699.db2.gz VWUQQBJPNOHYGN-ONOSFVFSSA-N -1 1 332.403 1.748 20 5 EDBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(-c3ccccn3)s2)c1[N+](=O)[O-] ZINC000194138779 442850799 /nfs/dbraw/zinc/85/07/99/442850799.db2.gz QQHTYCLKZGMESO-UHFFFAOYSA-N -1 1 345.344 1.803 20 5 EDBDMM CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416623679 319450753 /nfs/dbraw/zinc/45/07/53/319450753.db2.gz OUSJDOKKKYWBKO-MRVPVSSYSA-N -1 1 349.796 1.440 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286101062 443646142 /nfs/dbraw/zinc/64/61/42/443646142.db2.gz FIERDPHEHXROOB-IUCAKERBSA-N -1 1 349.265 1.328 20 5 EDBDMM O=c1nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)[nH][n-]1 ZINC000285747210 444094893 /nfs/dbraw/zinc/09/48/93/444094893.db2.gz UMBQMFXPCPYPMX-JTQLQIEISA-N -1 1 340.343 1.938 20 5 EDBDMM CN(C1CCN(C)CC1)S(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314135001 444298407 /nfs/dbraw/zinc/29/84/07/444298407.db2.gz OIPKCJPITUELFZ-UHFFFAOYSA-N -1 1 329.378 1.015 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCC2=CCCCC2)c([N+](=O)[O-])n1 ZINC000331236248 444453414 /nfs/dbraw/zinc/45/34/14/444453414.db2.gz UECSRLYWTXWGMN-UHFFFAOYSA-N -1 1 328.394 1.980 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](CCOC)C(C)(C)C)c([N+](=O)[O-])n1 ZINC000337959398 444471898 /nfs/dbraw/zinc/47/18/98/444471898.db2.gz GUOSAIWUVFGSBY-LLVKDONJSA-N -1 1 348.425 1.541 20 5 EDBDMM CCc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000337869053 444442856 /nfs/dbraw/zinc/44/28/56/444442856.db2.gz PVAFNBTWEMKGNK-UHFFFAOYSA-N -1 1 341.301 1.644 20 5 EDBDMM COc1cc(CN2CCC(c3n[nH]c(=O)[n-]3)CC2)ccc1[N+](=O)[O-] ZINC000343744793 444560430 /nfs/dbraw/zinc/56/04/30/444560430.db2.gz MHCIEHIMAAFPTB-UHFFFAOYSA-N -1 1 333.348 1.807 20 5 EDBDMM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000611033029 450415467 /nfs/dbraw/zinc/41/54/67/450415467.db2.gz SWEQFQMRQBUGSV-GFCCVEGCSA-N -1 1 344.389 1.602 20 5 EDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)CNC(=O)c1ncccc1[O-] ZINC000343172957 445114082 /nfs/dbraw/zinc/11/40/82/445114082.db2.gz YFWLIKYRUFJPTB-UHFFFAOYSA-N -1 1 344.327 1.084 20 5 EDBDMM CC(C)(NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)c1nn[n-]n1 ZINC000444082613 447073725 /nfs/dbraw/zinc/07/37/25/447073725.db2.gz NZHSZYLGTIYLHQ-UHFFFAOYSA-N -1 1 348.366 1.860 20 5 EDBDMM CO[C@@H](C)c1noc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445006803 447154644 /nfs/dbraw/zinc/15/46/44/447154644.db2.gz VGKFGGVUHKENJL-ZETCQYMHSA-N -1 1 337.292 1.058 20 5 EDBDMM O=C(NCc1cccc(-n2ccnc2)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000445002895 447155169 /nfs/dbraw/zinc/15/51/69/447155169.db2.gz ALTNQRPQKHVMPK-UHFFFAOYSA-N -1 1 339.311 1.811 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn([C@H]3CCOC3)c2C)n1 ZINC000450796062 447578469 /nfs/dbraw/zinc/57/84/69/447578469.db2.gz QFNPINMFNXROBM-JTQLQIEISA-N -1 1 347.331 1.986 20 5 EDBDMM O=C([O-])[C@@H](CC1CCC1)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000530420470 447882215 /nfs/dbraw/zinc/88/22/15/447882215.db2.gz BWZJOPVTOYDIBE-SNVBAGLBSA-N -1 1 346.336 1.656 20 5 EDBDMM CNc1nccc(C(=O)[N-]c2nnc(-c3ccco3)s2)c1[N+](=O)[O-] ZINC000552919240 447965171 /nfs/dbraw/zinc/96/51/71/447965171.db2.gz VRKKMPIVGBQZLN-UHFFFAOYSA-N -1 1 346.328 2.395 20 5 EDBDMM CCOc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nc2ccccn2n1 ZINC000527321081 448209848 /nfs/dbraw/zinc/20/98/48/448209848.db2.gz VZHSMKVKUQOHOI-UHFFFAOYSA-N -1 1 327.300 2.289 20 5 EDBDMM CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC ZINC000582543204 448267968 /nfs/dbraw/zinc/26/79/68/448267968.db2.gz UUBCBOJNRGFGTE-NXEZZACHSA-N -1 1 345.377 1.246 20 5 EDBDMM O=C([C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000518928439 448722693 /nfs/dbraw/zinc/72/26/93/448722693.db2.gz KDIRIHCDFBWGDS-KWCYVHTRSA-N -1 1 342.359 1.618 20 5 EDBDMM C[C@@H]1CC[C@H](C(=O)[O-])CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000592397025 448822036 /nfs/dbraw/zinc/82/20/36/448822036.db2.gz VKTIEAQGDDRIKB-NEPJUHHUSA-N -1 1 335.360 1.743 20 5 EDBDMM C[C@@H]1CC[C@H](C(=O)[O-])N1CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593290809 449209162 /nfs/dbraw/zinc/20/91/62/449209162.db2.gz QURMORGIOYWOAP-ZWNOBZJWSA-N -1 1 342.373 1.306 20 5 EDBDMM CC(C)(C)N1C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1=O ZINC000598775755 449595929 /nfs/dbraw/zinc/59/59/29/449595929.db2.gz XDOMWYQJUNTVMK-SECBINFHSA-N -1 1 336.348 1.072 20 5 EDBDMM COC(=O)C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)C1CC1 ZINC000594862736 449774532 /nfs/dbraw/zinc/77/45/32/449774532.db2.gz UYGWXSBVGUINIC-SECBINFHSA-N -1 1 348.402 1.524 20 5 EDBDMM COc1ccc(C)cc1C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599209713 449799716 /nfs/dbraw/zinc/79/97/16/449799716.db2.gz CIIWGFVUQUSHMO-UHFFFAOYSA-N -1 1 340.361 1.124 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CC[C@H]2CC=CCC2)c([N+](=O)[O-])n1 ZINC000599445708 449981042 /nfs/dbraw/zinc/98/10/42/449981042.db2.gz OLNLTWDJLHQFLV-NSHDSACASA-N -1 1 328.394 1.836 20 5 EDBDMM O=C(NCCN1Cc2ccccc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618367302 450176264 /nfs/dbraw/zinc/17/62/64/450176264.db2.gz HPHDNQXFKHPSRZ-UHFFFAOYSA-N -1 1 328.328 1.441 20 5 EDBDMM C[C@@H](CN(C)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[n-]n1 ZINC000183405677 533725000 /nfs/dbraw/zinc/72/50/00/533725000.db2.gz QTKFPLDNEYUQEW-QMMMGPOBSA-N -1 1 329.320 1.465 20 5 EDBDMM Cc1n[nH]c(C(=O)N(C2CC2)C2CCN(C(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000740030853 579282434 /nfs/dbraw/zinc/28/24/34/579282434.db2.gz LEWGPWCKTWFWPX-UHFFFAOYSA-N -1 1 337.336 1.373 20 5 EDBDMM CCO[C@H]1COCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000759096361 579998356 /nfs/dbraw/zinc/99/83/56/579998356.db2.gz UQVJBSVWKTVEDL-MNOVXSKESA-N -1 1 348.352 1.206 20 5 EDBDMM COC(=O)c1ccc(OS(=O)(=O)c2c[n-]nc2C)cc1[N+](=O)[O-] ZINC000763610865 580102531 /nfs/dbraw/zinc/10/25/31/580102531.db2.gz JNWGDRGXSLALHU-UHFFFAOYSA-N -1 1 341.301 1.181 20 5 EDBDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000769600745 580241402 /nfs/dbraw/zinc/24/14/02/580241402.db2.gz XGOZROCOVVLTFZ-UHFFFAOYSA-N -1 1 334.336 1.149 20 5 EDBDMM Nc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2[O-])cc1[N+](=O)[O-] ZINC000822907594 594120175 /nfs/dbraw/zinc/12/01/75/594120175.db2.gz URAPVQSNXCSMFT-UHFFFAOYSA-N -1 1 341.287 1.315 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H]1CC1(Cl)Cl ZINC000823620884 594222173 /nfs/dbraw/zinc/22/21/73/594222173.db2.gz RXJMWGRRBBEDPF-YFKPBYRVSA-N -1 1 330.135 1.776 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H]1CC1(Cl)Cl ZINC000823620884 594222174 /nfs/dbraw/zinc/22/21/74/594222174.db2.gz RXJMWGRRBBEDPF-YFKPBYRVSA-N -1 1 330.135 1.776 20 5 EDBDMM O=[N+]([O-])c1ccc(CN(c2ccc(-c3nnn[n-]3)nn2)C2CC2)cc1 ZINC000826498426 594502714 /nfs/dbraw/zinc/50/27/14/594502714.db2.gz UJVQZZBJYFGANM-UHFFFAOYSA-N -1 1 338.331 1.734 20 5 EDBDMM O=[N+]([O-])c1ccc(CN(c2ccc(-c3nn[n-]n3)nn2)C2CC2)cc1 ZINC000826498426 594502716 /nfs/dbraw/zinc/50/27/16/594502716.db2.gz UJVQZZBJYFGANM-UHFFFAOYSA-N -1 1 338.331 1.734 20 5 EDBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nnn[n-]2)nn1 ZINC000826501085 594503487 /nfs/dbraw/zinc/50/34/87/594503487.db2.gz YSWNQNSBCUVION-UHFFFAOYSA-N -1 1 327.308 1.089 20 5 EDBDMM O=[N+]([O-])c1ccccc1NCCNc1ccc(-c2nn[n-]n2)nn1 ZINC000826501085 594503489 /nfs/dbraw/zinc/50/34/89/594503489.db2.gz YSWNQNSBCUVION-UHFFFAOYSA-N -1 1 327.308 1.089 20 5 EDBDMM C[C@@H](CN(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1)C(=O)[O-] ZINC000827449206 594673406 /nfs/dbraw/zinc/67/34/06/594673406.db2.gz IXSUHFNRWYGABR-NSHDSACASA-N -1 1 335.360 1.743 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F)[C@H](C)O ZINC000832309207 594741898 /nfs/dbraw/zinc/74/18/98/594741898.db2.gz GBELKIALMDMXDS-RCOVLWMOSA-N -1 1 340.760 1.825 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1C[C@H](O)C12CCC2 ZINC000849471546 595544725 /nfs/dbraw/zinc/54/47/25/595544725.db2.gz RUWQWAWZTQSAID-RYUDHWBXSA-N -1 1 346.792 1.830 20 5 EDBDMM O=[N+]([O-])c1cc(S(=O)(=O)NCCN2CCCCCC2)cs1 ZINC000119499279 596605608 /nfs/dbraw/zinc/60/56/08/596605608.db2.gz ZWGBCMZUCXGPJJ-UHFFFAOYSA-N -1 1 333.435 1.811 20 5 EDBDMM CC1(C)CO[C@H](C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000872549029 596960419 /nfs/dbraw/zinc/96/04/19/596960419.db2.gz JPAVEZJHQOUKOC-VIFPVBQESA-N -1 1 332.353 1.827 20 5 EDBDMM COc1ccc(NC(=O)[C@H](C)N(C)C[C@@H](C)C(=O)[O-])c([N+](=O)[O-])c1 ZINC000738024259 600376871 /nfs/dbraw/zinc/37/68/71/600376871.db2.gz AVNIIAITMIMOAR-ZJUUUORDSA-N -1 1 339.348 1.583 20 5 EDBDMM COC[C@@H](C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000921898809 708839769 /nfs/dbraw/zinc/83/97/69/708839769.db2.gz CBEGDRMYZVVITF-SNVBAGLBSA-N -1 1 334.369 1.931 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000228543821 139023183 /nfs/dbraw/zinc/02/31/83/139023183.db2.gz ADYZPUWVNQRNFZ-MRVPVSSYSA-N -1 1 348.686 1.450 20 5 EDBDMM O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc31)C2 ZINC000262222375 139261335 /nfs/dbraw/zinc/26/13/35/139261335.db2.gz KPRQISDWWNERNC-XXFAHNHDSA-N -1 1 344.327 1.798 20 5 EDBDMM C[C@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)CC[C@@H]1C(=O)[O-] ZINC000262903508 139311566 /nfs/dbraw/zinc/31/15/66/139311566.db2.gz IFPRUOHUVPHMPB-WPRPVWTQSA-N -1 1 332.316 1.654 20 5 EDBDMM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000263384329 139339215 /nfs/dbraw/zinc/33/92/15/139339215.db2.gz CJXRXTBJBFCZNQ-LLVKDONJSA-N -1 1 332.316 1.524 20 5 EDBDMM COc1ccc(COCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000271468437 140299740 /nfs/dbraw/zinc/29/97/40/140299740.db2.gz YGTBLKLZJOQWLP-UHFFFAOYSA-N -1 1 347.327 1.651 20 5 EDBDMM Cc1nc([C@H]2CCCCN2C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)n[nH]1 ZINC000367297593 154069809 /nfs/dbraw/zinc/06/98/09/154069809.db2.gz CUYWFWUVSGXBHW-SNVBAGLBSA-N -1 1 332.320 1.489 20 5 EDBDMM Cc1nnc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000367297593 154069812 /nfs/dbraw/zinc/06/98/12/154069812.db2.gz CUYWFWUVSGXBHW-SNVBAGLBSA-N -1 1 332.320 1.489 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000374228592 157203771 /nfs/dbraw/zinc/20/37/71/157203771.db2.gz IAHOQXWAIMSHIF-ZDUSSCGKSA-N -1 1 329.312 1.989 20 5 EDBDMM Cn1nccc1[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000374778995 157397572 /nfs/dbraw/zinc/39/75/72/157397572.db2.gz OHOQBENLZHMAID-JTQLQIEISA-N -1 1 331.332 1.449 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CNC(=O)c1ncccc1[O-] ZINC000352164943 162024031 /nfs/dbraw/zinc/02/40/31/162024031.db2.gz ZFFXJCYSIMVNNU-UHFFFAOYSA-N -1 1 344.327 1.681 20 5 EDBDMM O=C(NC[C@@H](CO)Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000352390960 162157700 /nfs/dbraw/zinc/15/77/00/162157700.db2.gz NKQJSWXDFQGKEQ-LBPRGKRZSA-N -1 1 331.328 1.276 20 5 EDBDMM CCc1cnc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000274759811 268199444 /nfs/dbraw/zinc/19/94/44/268199444.db2.gz YJZBAXQPUBPVAO-UHFFFAOYSA-N -1 1 341.345 1.632 20 5 EDBDMM C[C@H](CC(C)(C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275036048 268269875 /nfs/dbraw/zinc/26/98/75/268269875.db2.gz DBRPHUFENFZCAA-MRVPVSSYSA-N -1 1 348.352 1.902 20 5 EDBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000284719569 274306708 /nfs/dbraw/zinc/30/67/08/274306708.db2.gz REIBUWPWHKCZHG-UHFFFAOYSA-N -1 1 340.361 1.808 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](C)C(F)(F)F ZINC000288279818 288448749 /nfs/dbraw/zinc/44/87/49/288448749.db2.gz FAQTVYNIEFGTPR-ZCFIWIBFSA-N -1 1 328.268 1.833 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H]2CCCOC2)cc1Cl ZINC000289260122 288660635 /nfs/dbraw/zinc/66/06/35/288660635.db2.gz ABBQASBNLKDVHA-ZETCQYMHSA-N -1 1 338.744 1.845 20 5 EDBDMM CON1CCC([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000420754979 304778635 /nfs/dbraw/zinc/77/86/35/304778635.db2.gz XEGGXKXOVHCIJB-UHFFFAOYSA-N -1 1 349.796 1.552 20 5 EDBDMM O=C(NCCN1CCC(O)CC1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000519541269 305770143 /nfs/dbraw/zinc/77/01/43/305770143.db2.gz WDEKFIQPYQHBSS-UHFFFAOYSA-N -1 1 343.767 1.140 20 5 EDBDMM CCC[C@H](NC(=O)CN(C)c1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000136707107 441717891 /nfs/dbraw/zinc/71/78/91/441717891.db2.gz MEAGAVWQWSGVPS-JTQLQIEISA-N -1 1 333.352 1.202 20 5 EDBDMM CN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000146852814 441900809 /nfs/dbraw/zinc/90/08/09/441900809.db2.gz VIHJDRPLHOIAAB-UHFFFAOYSA-N -1 1 335.769 1.005 20 5 EDBDMM CC1(C)[C@H](O)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188125316 442714321 /nfs/dbraw/zinc/71/43/21/442714321.db2.gz HLYYXLJUBVDARC-WDEREUQCSA-N -1 1 334.781 1.686 20 5 EDBDMM CC(C)c1nc2n(n1)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000193690773 442768131 /nfs/dbraw/zinc/76/81/31/442768131.db2.gz ZGSIEIPCJNHOMJ-JTQLQIEISA-N -1 1 346.347 1.155 20 5 EDBDMM C[C@@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000183190774 442899728 /nfs/dbraw/zinc/89/97/28/442899728.db2.gz QSRZYEMCLXMNHR-ZDVLTJLQSA-N -1 1 340.810 1.294 20 5 EDBDMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000195476077 443022275 /nfs/dbraw/zinc/02/22/75/443022275.db2.gz DUYDFTBEPNQBIF-HQJQHLMTSA-N -1 1 347.780 1.051 20 5 EDBDMM CCOC(=O)[C@@H](C)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000269293055 443270091 /nfs/dbraw/zinc/27/00/91/443270091.db2.gz OXFLJVRNAMXGGA-QMMMGPOBSA-N -1 1 334.325 1.211 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCO[C@H](c2nccs2)C1 ZINC000264959514 443491303 /nfs/dbraw/zinc/49/13/03/443491303.db2.gz WHEKINNPSMXKEN-JTQLQIEISA-N -1 1 336.329 1.366 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1Cc1ccccc1 ZINC000525698863 320491812 /nfs/dbraw/zinc/49/18/12/320491812.db2.gz OYMAATUYWYNZBV-QWHCGFSZSA-N -1 1 333.369 1.899 20 5 EDBDMM CC(C)OCCCNC(=O)Cc1noc(-c2ccc([N+](=O)[O-])[n-]2)n1 ZINC000277934732 444065401 /nfs/dbraw/zinc/06/54/01/444065401.db2.gz NKVNBQRFPUYOQP-UHFFFAOYSA-N -1 1 337.336 1.447 20 5 EDBDMM CCC[C@H](NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nn[nH]n1 ZINC000565605752 321193467 /nfs/dbraw/zinc/19/34/67/321193467.db2.gz ZYBVSFGGKFURIG-QMMMGPOBSA-N -1 1 340.727 1.738 20 5 EDBDMM COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc(C(=O)OC)c1 ZINC000340474865 444393518 /nfs/dbraw/zinc/39/35/18/444393518.db2.gz OTYQKCWHTFTYJK-UHFFFAOYSA-N -1 1 347.283 1.748 20 5 EDBDMM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000338095393 444514621 /nfs/dbraw/zinc/51/46/21/444514621.db2.gz UXSVBJDEYLTUKY-JTQLQIEISA-N -1 1 336.348 1.072 20 5 EDBDMM Cc1sc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000342502349 444719775 /nfs/dbraw/zinc/71/97/75/444719775.db2.gz GJRIMOJQQJWADV-WCBMZHEXSA-N -1 1 333.435 1.726 20 5 EDBDMM O=C([O-])c1cc(C(=O)Nc2ccc3[nH]nnc3c2)cc([N+](=O)[O-])c1 ZINC000362491513 445409630 /nfs/dbraw/zinc/40/96/30/445409630.db2.gz YLYKCYRYOGAKRS-UHFFFAOYSA-N -1 1 327.256 1.817 20 5 EDBDMM COCc1nocc1C(=O)[N-]c1cc(C(=O)OC)cc([N+](=O)[O-])c1 ZINC000362806607 445558610 /nfs/dbraw/zinc/55/86/10/445558610.db2.gz QNYOUNCKXWAGSE-UHFFFAOYSA-N -1 1 335.272 1.768 20 5 EDBDMM CS(=O)(=O)c1cc(-c2noc(-c3ccc([N+](=O)[O-])[n-]3)n2)ccn1 ZINC000356335399 445740038 /nfs/dbraw/zinc/74/00/38/445740038.db2.gz DIIZTRKYFVAQRY-UHFFFAOYSA-N -1 1 335.301 1.438 20 5 EDBDMM COc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1C ZINC000365044929 445989832 /nfs/dbraw/zinc/98/98/32/445989832.db2.gz NRNDQZMOGXBTRR-SNVBAGLBSA-N -1 1 346.347 1.445 20 5 EDBDMM Cc1ncccc1O[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)C1 ZINC000365097759 446022139 /nfs/dbraw/zinc/02/21/39/446022139.db2.gz FVQZWCDSTUNZGW-GFCCVEGCSA-N -1 1 344.327 1.692 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])n1 ZINC000425190577 447053772 /nfs/dbraw/zinc/05/37/72/447053772.db2.gz FAZXCLLRXNINAR-QWRGUYRKSA-N -1 1 328.394 1.526 20 5 EDBDMM CC(C)(NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1nnc2n1CCCC2 ZINC000456085010 447296719 /nfs/dbraw/zinc/29/67/19/447296719.db2.gz HDERLISGHUDMDE-UHFFFAOYSA-N -1 1 346.347 1.288 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC000541387831 448673024 /nfs/dbraw/zinc/67/30/24/448673024.db2.gz QCYKJPYQXDENHI-RYUDHWBXSA-N -1 1 332.403 1.892 20 5 EDBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC[C@@H](N2CCOCC2)CC1 ZINC000590352563 449136044 /nfs/dbraw/zinc/13/60/44/449136044.db2.gz QYDNCPJQEPRTOA-CYBMUJFWSA-N -1 1 349.387 1.627 20 5 EDBDMM C[C@@H]1COCCN1C1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000590387213 449143001 /nfs/dbraw/zinc/14/30/01/449143001.db2.gz GCPGANAAVGTTPH-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CC(C)(C)OC(=O)C(C)(C)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600601895 449457252 /nfs/dbraw/zinc/45/72/52/449457252.db2.gz WSBIUVQSORWSEQ-UHFFFAOYSA-N -1 1 325.321 1.546 20 5 EDBDMM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CCF)c1 ZINC000600660282 449475878 /nfs/dbraw/zinc/47/58/78/449475878.db2.gz KWLLDEFJYNZIBR-UHFFFAOYSA-N -1 1 344.324 1.576 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@H](C1CC1)[C@H]1CCCCO1 ZINC000594475945 449541077 /nfs/dbraw/zinc/54/10/77/449541077.db2.gz ZUZGLFOGBXYXMV-DGCLKSJQSA-N -1 1 341.389 1.616 20 5 EDBDMM Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000600870727 449578724 /nfs/dbraw/zinc/57/87/24/449578724.db2.gz ZDZUPYHIOMYOHD-ZDUSSCGKSA-N -1 1 349.387 1.833 20 5 EDBDMM COc1ccc([C@@H](NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cn1 ZINC000600814015 449559721 /nfs/dbraw/zinc/55/97/21/449559721.db2.gz RUIZVOMARZLWRG-AWEZNQCLSA-N -1 1 344.327 1.980 20 5 EDBDMM CCn1cc(C[N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594839366 449746325 /nfs/dbraw/zinc/74/63/25/449746325.db2.gz LRQNLIADPBGIHW-UHFFFAOYSA-N -1 1 345.768 1.338 20 5 EDBDMM COC(=O)c1ccc(Oc2nc3c(cnn3C)c(=O)[n-]2)cc1[N+](=O)[O-] ZINC000613114078 450027725 /nfs/dbraw/zinc/02/77/25/450027725.db2.gz BSICTSBNQVZWFK-UHFFFAOYSA-N -1 1 345.271 1.556 20 5 EDBDMM O=C(N[C@@H]1CCN(C2CCCCC2)C1=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618383578 450188022 /nfs/dbraw/zinc/18/80/22/450188022.db2.gz LNMFBFGOKAKZBX-GFCCVEGCSA-N -1 1 348.359 1.359 20 5 EDBDMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000344821848 535034284 /nfs/dbraw/zinc/03/42/84/535034284.db2.gz HMMIGVQOOKGFJW-VIFPVBQESA-N -1 1 336.797 1.791 20 5 EDBDMM COC(=O)c1cc([N-]S(=O)(=O)CCC2CC2)cc([N+](=O)[O-])c1 ZINC000271243806 536567062 /nfs/dbraw/zinc/56/70/62/536567062.db2.gz FONDLEOPWLIFGJ-UHFFFAOYSA-N -1 1 328.346 1.923 20 5 EDBDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000742231567 579443743 /nfs/dbraw/zinc/44/37/43/579443743.db2.gz LVNDYGQCIAQPAS-UHFFFAOYSA-N -1 1 341.301 1.577 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000751443601 578551560 /nfs/dbraw/zinc/55/15/60/578551560.db2.gz SPFMGUOUPPAKFY-SNVBAGLBSA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@H](CN(Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1)C1CC1)C(=O)[O-] ZINC000736580965 579002570 /nfs/dbraw/zinc/00/25/70/579002570.db2.gz GLBCADWUVGUDKU-LLVKDONJSA-N -1 1 345.359 1.996 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCC[C@@H](N(C)C(=O)[O-])C2)c1[N+](=O)[O-] ZINC000739539826 579216428 /nfs/dbraw/zinc/21/64/28/579216428.db2.gz OLLAELODZQSCGG-MRVPVSSYSA-N -1 1 325.325 1.095 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000763233416 580095856 /nfs/dbraw/zinc/09/58/56/580095856.db2.gz BGJNHGZLSUZFHJ-MRVPVSSYSA-N -1 1 347.291 1.036 20 5 EDBDMM CO[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000774798774 580374480 /nfs/dbraw/zinc/37/44/80/580374480.db2.gz OTDZRGAWRGMXNW-KOLCDFICSA-N -1 1 332.353 1.827 20 5 EDBDMM O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000775544378 580393230 /nfs/dbraw/zinc/39/32/30/580393230.db2.gz FJIUDEOUSDPDQN-MRVPVSSYSA-N -1 1 336.739 1.781 20 5 EDBDMM CC(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000841537634 593259086 /nfs/dbraw/zinc/25/90/86/593259086.db2.gz ZTNVAGFJFBCDHQ-AOOOYVTPSA-N -1 1 332.353 1.968 20 5 EDBDMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])C(=O)O1 ZINC000809382573 593335176 /nfs/dbraw/zinc/33/51/76/593335176.db2.gz JHWSPVZNQWUXTA-HTRCEHHLSA-N -1 1 334.737 1.231 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-][C@H](CO)C2CC2)cc1Cl ZINC000809820005 593361921 /nfs/dbraw/zinc/36/19/21/593361921.db2.gz KFFIPENMYIULND-SECBINFHSA-N -1 1 338.744 1.437 20 5 EDBDMM C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000809832477 593363511 /nfs/dbraw/zinc/36/35/11/593363511.db2.gz PUMJBGKYHCXDDR-NKWVEPMBSA-N -1 1 340.760 1.825 20 5 EDBDMM CC(=O)NCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)C(=O)[O-] ZINC000819770348 593768083 /nfs/dbraw/zinc/76/80/83/593768083.db2.gz PCNUAHMKJIBTHR-SECBINFHSA-N -1 1 343.767 1.659 20 5 EDBDMM CN(CCOc1ccccc1)c1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821604970 593878225 /nfs/dbraw/zinc/87/82/25/593878225.db2.gz PDNQPVCXAJBADS-UHFFFAOYSA-N -1 1 341.331 1.685 20 5 EDBDMM CN(CCOc1ccccc1)c1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821604970 593878227 /nfs/dbraw/zinc/87/82/27/593878227.db2.gz PDNQPVCXAJBADS-UHFFFAOYSA-N -1 1 341.331 1.685 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1NCCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000822212666 594011004 /nfs/dbraw/zinc/01/10/04/594011004.db2.gz BCTCOPZHZIWPAQ-UHFFFAOYSA-N -1 1 343.351 1.433 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1NCCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000822212666 594011006 /nfs/dbraw/zinc/01/10/06/594011006.db2.gz BCTCOPZHZIWPAQ-UHFFFAOYSA-N -1 1 343.351 1.433 20 5 EDBDMM Cc1nc(C)c(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])s1 ZINC000822431881 594047815 /nfs/dbraw/zinc/04/78/15/594047815.db2.gz NMUNVLPMFCGQOQ-UHFFFAOYSA-N -1 1 332.349 1.855 20 5 EDBDMM Cc1nc(C)c(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])s1 ZINC000822431881 594047817 /nfs/dbraw/zinc/04/78/17/594047817.db2.gz NMUNVLPMFCGQOQ-UHFFFAOYSA-N -1 1 332.349 1.855 20 5 EDBDMM Cc1nsc(N(C)C(=O)c2cccc([N+](=O)[O-])c2)c1-c1nnn[n-]1 ZINC000822531205 594063387 /nfs/dbraw/zinc/06/33/87/594063387.db2.gz XILCBMGKGLANHF-UHFFFAOYSA-N -1 1 345.344 1.816 20 5 EDBDMM Cc1nsc(N(C)C(=O)c2cccc([N+](=O)[O-])c2)c1-c1nn[n-]n1 ZINC000822531205 594063389 /nfs/dbraw/zinc/06/33/89/594063389.db2.gz XILCBMGKGLANHF-UHFFFAOYSA-N -1 1 345.344 1.816 20 5 EDBDMM Cc1sc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000822553875 594066472 /nfs/dbraw/zinc/06/64/72/594066472.db2.gz SHMIKXPMIBBLEM-UHFFFAOYSA-N -1 1 337.346 1.854 20 5 EDBDMM Cc1sc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1[N+](=O)[O-] ZINC000822553875 594066473 /nfs/dbraw/zinc/06/64/73/594066473.db2.gz SHMIKXPMIBBLEM-UHFFFAOYSA-N -1 1 337.346 1.854 20 5 EDBDMM O=[N+]([O-])c1ccccc1CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000823647167 594224501 /nfs/dbraw/zinc/22/45/01/594224501.db2.gz HJBXRIZFIKQYRB-UHFFFAOYSA-N -1 1 342.275 1.690 20 5 EDBDMM O=[N+]([O-])c1ccccc1CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000823647167 594224502 /nfs/dbraw/zinc/22/45/02/594224502.db2.gz HJBXRIZFIKQYRB-UHFFFAOYSA-N -1 1 342.275 1.690 20 5 EDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)CO1 ZINC000828288176 594383500 /nfs/dbraw/zinc/38/35/00/594383500.db2.gz CBCDTRDJZALZBV-NKWVEPMBSA-N -1 1 338.744 1.843 20 5 EDBDMM O=C([O-])N1CCC[C@@H](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000831659938 594690675 /nfs/dbraw/zinc/69/06/75/594690675.db2.gz SFHQBSZHGSWRII-JTQLQIEISA-N -1 1 337.332 1.810 20 5 EDBDMM O=C([O-])N1CCC[C@H](CCNC(=O)c2cc(O)cc([N+](=O)[O-])c2)C1 ZINC000831659939 594690689 /nfs/dbraw/zinc/69/06/89/594690689.db2.gz SFHQBSZHGSWRII-SNVBAGLBSA-N -1 1 337.332 1.810 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCC(=O)N1 ZINC000841527044 594915697 /nfs/dbraw/zinc/91/56/97/594915697.db2.gz ACRMVPNDYKBGHN-GFCCVEGCSA-N -1 1 347.780 1.195 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CC1(Cl)Cl ZINC000845941168 595101261 /nfs/dbraw/zinc/10/12/61/595101261.db2.gz CXFZNRRYWBVGGA-VIFPVBQESA-N -1 1 340.188 1.852 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000860348212 595653210 /nfs/dbraw/zinc/65/32/10/595653210.db2.gz BJRYIPDLXUJZMO-QMMMGPOBSA-N -1 1 336.739 1.781 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000866786454 596346005 /nfs/dbraw/zinc/34/60/05/596346005.db2.gz SRKKPIUHHWWESI-ZETCQYMHSA-N -1 1 348.324 1.820 20 5 EDBDMM COCC1(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])CC1 ZINC000867485686 596393171 /nfs/dbraw/zinc/39/31/71/596393171.db2.gz XQIMBXIZSFHYTE-UHFFFAOYSA-N -1 1 332.353 1.747 20 5 EDBDMM CN(CCOCc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187182968 529924357 /nfs/dbraw/zinc/92/43/57/529924357.db2.gz LCQFFQJTIWULIL-UHFFFAOYSA-N -1 1 331.328 1.984 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000425297728 252304744 /nfs/dbraw/zinc/30/47/44/252304744.db2.gz IMCMWNOLIMWQIR-SECBINFHSA-N -1 1 348.315 1.712 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(c2ncccc2F)CC1 ZINC000270539439 140119623 /nfs/dbraw/zinc/11/96/23/140119623.db2.gz JFXGYKNVPZDXNJ-UHFFFAOYSA-N -1 1 347.306 1.192 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(OCCC(=O)NC(C)(C)c2nn[n-]n2)c1 ZINC000344888921 143023988 /nfs/dbraw/zinc/02/39/88/143023988.db2.gz OJNHHRMTTGIIMD-UHFFFAOYSA-N -1 1 334.336 1.237 20 5 EDBDMM CN1C[C@H](CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)Cc2ccccc21 ZINC000364607737 153286131 /nfs/dbraw/zinc/28/61/31/153286131.db2.gz OXCALVYHZRQNKU-NSHDSACASA-N -1 1 342.355 1.734 20 5 EDBDMM COC(=O)CCCCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000274922185 268239275 /nfs/dbraw/zinc/23/92/75/268239275.db2.gz XTHISCOVZCFEMK-UHFFFAOYSA-N -1 1 325.321 1.549 20 5 EDBDMM CN1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)Cc2ccccc21 ZINC000263944095 277096977 /nfs/dbraw/zinc/09/69/77/277096977.db2.gz UPZPBSUORWPFAP-UHFFFAOYSA-N -1 1 328.328 1.788 20 5 EDBDMM CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@@H](CO)C(C)C ZINC000452955171 279898986 /nfs/dbraw/zinc/89/89/86/279898986.db2.gz YSTXROIWNNKYPQ-QWHCGFSZSA-N -1 1 325.365 1.714 20 5 EDBDMM CC1(C)CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H](C(F)(F)F)O1 ZINC000293665680 303000652 /nfs/dbraw/zinc/00/06/52/303000652.db2.gz IATXNHZBQJGPDJ-VIFPVBQESA-N -1 1 349.265 1.877 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]C[C@@H](O)C1CCC1 ZINC000452042872 305379522 /nfs/dbraw/zinc/37/95/22/305379522.db2.gz GGFZOBFWGPREGQ-LLVKDONJSA-N -1 1 334.781 1.688 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])N1CCCC1 ZINC000044771578 440886525 /nfs/dbraw/zinc/88/65/25/440886525.db2.gz WIHRMCGBOYCYJB-UHFFFAOYSA-N -1 1 347.780 1.149 20 5 EDBDMM Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000088778492 441521844 /nfs/dbraw/zinc/52/18/44/441521844.db2.gz ZTGSVAWVZQWRJD-UHFFFAOYSA-N -1 1 339.348 1.958 20 5 EDBDMM CCc1nn(C)cc1[N-]S(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000091021322 441650089 /nfs/dbraw/zinc/65/00/89/441650089.db2.gz RETCKUHNZHVHJW-UHFFFAOYSA-N -1 1 338.389 1.875 20 5 EDBDMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174033693 441880527 /nfs/dbraw/zinc/88/05/27/441880527.db2.gz XUIYUDNOSPAWFF-MRVPVSSYSA-N -1 1 333.348 1.407 20 5 EDBDMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000174033708 441881021 /nfs/dbraw/zinc/88/10/21/441881021.db2.gz XUIYUDNOSPAWFF-QMMMGPOBSA-N -1 1 333.348 1.407 20 5 EDBDMM C[C@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](O)Cc1ccccc1 ZINC000163657872 442177835 /nfs/dbraw/zinc/17/78/35/442177835.db2.gz JKWARFHZWGYDDT-IINYFYTJSA-N -1 1 331.328 1.417 20 5 EDBDMM O=C(NCCCc1nc2ccccc2[nH]1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187023674 442646954 /nfs/dbraw/zinc/64/69/54/442646954.db2.gz SFNSAQIRGLQFEX-UHFFFAOYSA-N -1 1 341.327 1.934 20 5 EDBDMM CN(C)C(=O)C1([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000416597965 319449405 /nfs/dbraw/zinc/44/94/05/319449405.db2.gz SSDHQGFBCGMZOF-UHFFFAOYSA-N -1 1 347.780 1.147 20 5 EDBDMM C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000279274252 443547689 /nfs/dbraw/zinc/54/76/89/443547689.db2.gz ZNYLLZAVAQRXBI-LBPRGKRZSA-N -1 1 349.387 1.626 20 5 EDBDMM O=c1nc(C2CCN(c3ccc([N+](=O)[O-])c4cccnc43)CC2)[nH][n-]1 ZINC000280982588 443789332 /nfs/dbraw/zinc/78/93/32/443789332.db2.gz NNKJCRMJSCORHS-UHFFFAOYSA-N -1 1 340.343 1.938 20 5 EDBDMM CCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](CC)C(=O)OCC ZINC000276782476 443824772 /nfs/dbraw/zinc/82/47/72/443824772.db2.gz IOISLAXJWOLVHN-NSHDSACASA-N -1 1 339.348 1.889 20 5 EDBDMM Cn1cc([C@@H]2CSCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000276832573 443845368 /nfs/dbraw/zinc/84/53/68/443845368.db2.gz KYTWNHNXSCBGQN-LBPRGKRZSA-N -1 1 349.372 1.359 20 5 EDBDMM COC(=O)[C@H]1CC12CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000277808280 444045306 /nfs/dbraw/zinc/04/53/06/444045306.db2.gz XDVCMUPIANFQBR-SNVBAGLBSA-N -1 1 335.316 1.111 20 5 EDBDMM Cc1cc(N2CCC(O)(C(=O)[O-])CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000567985333 321271978 /nfs/dbraw/zinc/27/19/78/321271978.db2.gz UEYKPRRPQXRFNC-UHFFFAOYSA-N -1 1 331.328 1.867 20 5 EDBDMM Cc1c(CC(=O)Nc2nn[nH]c2C(=O)NC2CC2)cccc1[N+](=O)[O-] ZINC000297704900 444321063 /nfs/dbraw/zinc/32/10/63/444321063.db2.gz KEBWRCMEGLLGJP-UHFFFAOYSA-N -1 1 344.331 1.095 20 5 EDBDMM Cc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1SCC(N)=O ZINC000340646372 444470117 /nfs/dbraw/zinc/47/01/17/444470117.db2.gz MYMKWKQRILJXOV-UHFFFAOYSA-N -1 1 341.374 1.518 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2scnc2C)c([N+](=O)[O-])n1 ZINC000339049881 445009631 /nfs/dbraw/zinc/00/96/31/445009631.db2.gz YYJACLRSOZMLRG-UHFFFAOYSA-N -1 1 331.379 1.055 20 5 EDBDMM O=c1cc(C(F)F)nc(SCCn2cc([N+](=O)[O-])ccc2=O)[n-]1 ZINC000351884921 445355055 /nfs/dbraw/zinc/35/50/55/445355055.db2.gz OWMHXIASLNUUSL-UHFFFAOYSA-N -1 1 344.299 1.982 20 5 EDBDMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000362941730 445618894 /nfs/dbraw/zinc/61/88/94/445618894.db2.gz LQCJOXXTNWOOPC-KGLIPLIRSA-N -1 1 349.387 1.531 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000391808423 325736980 /nfs/dbraw/zinc/73/69/80/325736980.db2.gz HXVTTXONNXEVDU-ZWNOBZJWSA-N -1 1 346.336 1.656 20 5 EDBDMM Cc1ccc(O[C@H]2CCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)cn1 ZINC000373070834 446006260 /nfs/dbraw/zinc/00/62/60/446006260.db2.gz PMSMMWMPKHURCG-ZDUSSCGKSA-N -1 1 344.327 1.692 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](Oc2ccncc2)C1 ZINC000361899798 446048847 /nfs/dbraw/zinc/04/88/47/446048847.db2.gz DFZJWSDUHKDTPP-LBPRGKRZSA-N -1 1 330.300 1.384 20 5 EDBDMM O=C(N[C@@H](CO)c1ccc(Cl)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000356824804 446050086 /nfs/dbraw/zinc/05/00/86/446050086.db2.gz LWCHQQRRTVCZAM-NSHDSACASA-N -1 1 337.719 1.812 20 5 EDBDMM CC[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)c1c(C)nn(C)c1C ZINC000361982455 446125879 /nfs/dbraw/zinc/12/58/79/446125879.db2.gz KHYANIYUWRKAAF-NSHDSACASA-N -1 1 333.348 1.927 20 5 EDBDMM Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])[n-]2)c1 ZINC000359347363 446165522 /nfs/dbraw/zinc/16/55/22/446165522.db2.gz NUXGYRXOOKNVQX-UHFFFAOYSA-N -1 1 338.345 1.855 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCNC(=O)[C@H]1c1ccccc1 ZINC000373580682 446270317 /nfs/dbraw/zinc/27/03/17/446270317.db2.gz CQMGINKLTRMVPM-CYBMUJFWSA-N -1 1 342.311 1.009 20 5 EDBDMM Cc1nc2sccn2c1CN(C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000362365564 446336399 /nfs/dbraw/zinc/33/63/99/446336399.db2.gz OTCZUJGWQPAVTQ-UHFFFAOYSA-N -1 1 347.356 1.985 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000375022521 446519952 /nfs/dbraw/zinc/51/99/52/446519952.db2.gz JGWZZNIVEDEFTF-UHFFFAOYSA-N -1 1 333.275 1.178 20 5 EDBDMM C[C@H]1CCCN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)[C@H]1C(=O)[O-] ZINC000424272215 446865852 /nfs/dbraw/zinc/86/58/52/446865852.db2.gz ZKKQEAOBUNCLJT-ISVAXAHUSA-N -1 1 332.316 1.796 20 5 EDBDMM CO[C@H](C)c1noc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)n1 ZINC000445006802 447155482 /nfs/dbraw/zinc/15/54/82/447155482.db2.gz VGKFGGVUHKENJL-SSDOTTSWSA-N -1 1 337.292 1.058 20 5 EDBDMM CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000416623680 447660226 /nfs/dbraw/zinc/66/02/26/447660226.db2.gz OUSJDOKKKYWBKO-QMMMGPOBSA-N -1 1 349.796 1.440 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)o1 ZINC000531839565 448157064 /nfs/dbraw/zinc/15/70/64/448157064.db2.gz LFALAVZVEFUDKO-QMMMGPOBSA-N -1 1 326.334 1.634 20 5 EDBDMM CC(C)CC[C@](C)(O)C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000532769643 448310208 /nfs/dbraw/zinc/31/02/08/448310208.db2.gz HKAWHMVXEMDENK-ZDUSSCGKSA-N -1 1 331.394 1.455 20 5 EDBDMM COC(C)(C)CS(=O)(=O)Nc1cccc([N+](=O)[O-])c1C(=O)[O-] ZINC000573328111 448600434 /nfs/dbraw/zinc/60/04/34/448600434.db2.gz AIIKIQATDFCQOQ-UHFFFAOYSA-N -1 1 332.334 1.460 20 5 EDBDMM O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2cc(=O)[nH][n-]2)cc1 ZINC000579737747 448869762 /nfs/dbraw/zinc/86/97/62/448869762.db2.gz CYJHGUGMZWVJKO-UHFFFAOYSA-N -1 1 328.288 1.526 20 5 EDBDMM Cc1nn(C)c(C(=O)[N-]c2nnc(CCC(C)C)s2)c1[N+](=O)[O-] ZINC000597871446 449130139 /nfs/dbraw/zinc/13/01/39/449130139.db2.gz XUHHQENGXOUZBB-UHFFFAOYSA-N -1 1 338.393 2.329 20 5 EDBDMM O=C([O-])c1cc(N2CCC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000592979333 449093250 /nfs/dbraw/zinc/09/32/50/449093250.db2.gz RPOZWNOPSUAHRL-ZDUSSCGKSA-N -1 1 349.387 1.842 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCc2nc(C3CC3)ncc2C1 ZINC000600419494 449365217 /nfs/dbraw/zinc/36/52/17/449365217.db2.gz JIUJIJSHPVNGIV-UHFFFAOYSA-N -1 1 341.327 1.561 20 5 EDBDMM C[C@@H]1CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@H](CC(F)(F)F)O1 ZINC000598505261 449430102 /nfs/dbraw/zinc/43/01/02/449430102.db2.gz AKVKMVXCXRXGMW-APPZFPTMSA-N -1 1 349.265 1.877 20 5 EDBDMM C[C@@H]1CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[C@H]1C(=O)[O-] ZINC000600799755 449551400 /nfs/dbraw/zinc/55/14/00/449551400.db2.gz GBKUKAKJDMBEAF-ZYHUDNBSSA-N -1 1 336.344 1.909 20 5 EDBDMM COC(=O)c1cc([N-]C(=O)c2noc3c2COCC3)cc([N+](=O)[O-])c1 ZINC000598935173 449656281 /nfs/dbraw/zinc/65/62/81/449656281.db2.gz WLNMHQFXGVZRMP-UHFFFAOYSA-N -1 1 347.283 1.694 20 5 EDBDMM C[C@@H]1Cc2ccccc2[C@@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235583 449820759 /nfs/dbraw/zinc/82/07/59/449820759.db2.gz XOOSQYUGLDYREZ-NOZJJQNGSA-N -1 1 336.373 1.540 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])c1ccncc1 ZINC000599245047 449827455 /nfs/dbraw/zinc/82/74/55/449827455.db2.gz PKMXUUOYUVREGQ-JTQLQIEISA-N -1 1 325.350 1.153 20 5 EDBDMM Cc1ccc(C(C)(C)[N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])cn1 ZINC000599279944 449855547 /nfs/dbraw/zinc/85/55/47/449855547.db2.gz SGCXYHAIXHAMAM-UHFFFAOYSA-N -1 1 339.377 1.245 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000595378946 450093645 /nfs/dbraw/zinc/09/36/45/450093645.db2.gz BVZGQPNRJSIXKS-IACUBPJLSA-N -1 1 349.343 1.746 20 5 EDBDMM COCc1nc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)sc1C(=O)OC ZINC000597638328 450162541 /nfs/dbraw/zinc/16/25/41/450162541.db2.gz PALBKFDKJAWKHT-UHFFFAOYSA-N -1 1 340.317 1.565 20 5 EDBDMM CCOC(=O)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])cnc2C)s1 ZINC000610894254 450371654 /nfs/dbraw/zinc/37/16/54/450371654.db2.gz OZGISRKRMVBBEB-UHFFFAOYSA-N -1 1 337.317 1.579 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1(CO)CC1 ZINC000594826236 486637237 /nfs/dbraw/zinc/63/72/37/486637237.db2.gz FZDZOZUBCUVKNV-MRVPVSSYSA-N -1 1 334.781 1.688 20 5 EDBDMM CO[C@H]1C[C@H](c2n[nH]c(C)n2)N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)C1 ZINC000345491617 536828469 /nfs/dbraw/zinc/82/84/69/536828469.db2.gz PTCKKPXCUKNABH-QWHCGFSZSA-N -1 1 347.331 1.329 20 5 EDBDMM COCCN(CCC(=O)[O-])Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000737793982 578557875 /nfs/dbraw/zinc/55/78/75/578557875.db2.gz GTMWCGIQSHIBFO-UHFFFAOYSA-N -1 1 340.332 1.384 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)s1 ZINC000755951761 578998131 /nfs/dbraw/zinc/99/81/31/578998131.db2.gz PYLXDABFIUEUOC-VIFPVBQESA-N -1 1 346.386 1.379 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])c1ccsc1 ZINC000751438879 579806837 /nfs/dbraw/zinc/80/68/37/579806837.db2.gz QJSXZPQJGMUCPK-LBPRGKRZSA-N -1 1 343.386 1.237 20 5 EDBDMM Cn1[n-]c(COC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)nc1=O ZINC000765503427 580144228 /nfs/dbraw/zinc/14/42/28/580144228.db2.gz RTXPIKIOJYKSDA-UHFFFAOYSA-N -1 1 346.221 1.392 20 5 EDBDMM CC(C)[C@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000798818099 581009566 /nfs/dbraw/zinc/00/95/66/581009566.db2.gz MNEXVQHQBXQKAC-GFCCVEGCSA-N -1 1 347.368 1.125 20 5 EDBDMM CCS(=O)(=O)[N-]c1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000903665481 592262463 /nfs/dbraw/zinc/26/24/63/592262463.db2.gz VMFAKEGKVGSQBE-UHFFFAOYSA-N -1 1 328.394 1.108 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000907470348 592651611 /nfs/dbraw/zinc/65/16/11/592651611.db2.gz RSKOYPXPYAAPDW-PWSUYJOCSA-N -1 1 344.364 1.970 20 5 EDBDMM CC(C)[C@H](CO)C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000805110261 593337526 /nfs/dbraw/zinc/33/75/26/593337526.db2.gz RHGFWPJXKHNEMS-VIFPVBQESA-N -1 1 336.797 1.791 20 5 EDBDMM CC[C@H](O)C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000813753324 593553514 /nfs/dbraw/zinc/55/35/14/593553514.db2.gz ZFHYVLKSXZLANA-LURJTMIESA-N -1 1 326.733 1.437 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C[C@H](O)C1CC1 ZINC000815016852 593609975 /nfs/dbraw/zinc/60/99/75/593609975.db2.gz AYMJJXWBKRMDHX-JTQLQIEISA-N -1 1 338.744 1.437 20 5 EDBDMM CC(=O)NCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)C(=O)[O-] ZINC000819770349 593767990 /nfs/dbraw/zinc/76/79/90/593767990.db2.gz PCNUAHMKJIBTHR-VIFPVBQESA-N -1 1 343.767 1.659 20 5 EDBDMM C[C@H](CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccncc1 ZINC000820280769 593805870 /nfs/dbraw/zinc/80/58/70/593805870.db2.gz OEXGVTFGAMEABW-SECBINFHSA-N -1 1 326.320 1.781 20 5 EDBDMM C[C@H](CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccncc1 ZINC000820280769 593805871 /nfs/dbraw/zinc/80/58/71/593805871.db2.gz OEXGVTFGAMEABW-SECBINFHSA-N -1 1 326.320 1.781 20 5 EDBDMM Cc1ccc([C@H](O)CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000822230547 594015059 /nfs/dbraw/zinc/01/50/59/594015059.db2.gz JSPZEDANMWTREA-GFCCVEGCSA-N -1 1 341.331 1.624 20 5 EDBDMM Cc1ccc([C@H](O)CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000822230547 594015063 /nfs/dbraw/zinc/01/50/63/594015063.db2.gz JSPZEDANMWTREA-GFCCVEGCSA-N -1 1 341.331 1.624 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1[N+](=O)[O-] ZINC000824453690 594016076 /nfs/dbraw/zinc/01/60/76/594016076.db2.gz SLPSCHYSHVCHQX-IUCAKERBSA-N -1 1 339.352 1.560 20 5 EDBDMM Cc1noc(C)c1CCCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822523724 594062065 /nfs/dbraw/zinc/06/20/65/594062065.db2.gz SIEDDVSMGHTPPI-UHFFFAOYSA-N -1 1 344.335 1.819 20 5 EDBDMM Cc1noc(C)c1CCCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822523724 594062066 /nfs/dbraw/zinc/06/20/66/594062066.db2.gz SIEDDVSMGHTPPI-UHFFFAOYSA-N -1 1 344.335 1.819 20 5 EDBDMM Cc1noc(C)c1C[C@@H](C)Nc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000822522994 594062195 /nfs/dbraw/zinc/06/21/95/594062195.db2.gz NKVHKKIEKNEIMZ-SSDOTTSWSA-N -1 1 344.335 1.818 20 5 EDBDMM Cc1noc(C)c1C[C@@H](C)Nc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000822522994 594062197 /nfs/dbraw/zinc/06/21/97/594062197.db2.gz NKVHKKIEKNEIMZ-SSDOTTSWSA-N -1 1 344.335 1.818 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@H](O)c1ccccc1F ZINC000823620176 594221935 /nfs/dbraw/zinc/22/19/35/594221935.db2.gz HUZMICSYBFBZPI-NSHDSACASA-N -1 1 345.294 1.455 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@H](O)c1ccccc1F ZINC000823620176 594221936 /nfs/dbraw/zinc/22/19/36/594221936.db2.gz HUZMICSYBFBZPI-NSHDSACASA-N -1 1 345.294 1.455 20 5 EDBDMM CSc1cc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])ccn1 ZINC000826230282 594389328 /nfs/dbraw/zinc/38/93/28/594389328.db2.gz MHBORHGRFAVKBY-UHFFFAOYSA-N -1 1 344.360 1.899 20 5 EDBDMM CSc1cc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])ccn1 ZINC000826230282 594389330 /nfs/dbraw/zinc/38/93/30/594389330.db2.gz MHBORHGRFAVKBY-UHFFFAOYSA-N -1 1 344.360 1.899 20 5 EDBDMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000827369287 594665652 /nfs/dbraw/zinc/66/56/52/594665652.db2.gz UBNARBGQLASNOX-LBPRGKRZSA-N -1 1 335.360 1.145 20 5 EDBDMM CC1(C)COC(=O)[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000841533388 594916848 /nfs/dbraw/zinc/91/68/48/594916848.db2.gz DOEQVYLYHSDDNI-SNVBAGLBSA-N -1 1 348.764 1.478 20 5 EDBDMM Cc1noc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 ZINC000101575521 595178007 /nfs/dbraw/zinc/17/80/07/595178007.db2.gz XRZAVHQGTVPEQO-UHFFFAOYSA-N -1 1 346.752 1.461 20 5 EDBDMM CON(C)CC[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000849409054 595522464 /nfs/dbraw/zinc/52/24/64/595522464.db2.gz OAVLYZWWFLRVDY-UHFFFAOYSA-N -1 1 341.748 1.159 20 5 EDBDMM C[C@](CC(=O)[O-])(NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000864198994 596785948 /nfs/dbraw/zinc/78/59/48/596785948.db2.gz PKSZNQRFPQJWHO-OAHLLOKOSA-N -1 1 332.316 1.844 20 5 EDBDMM COC[C@H]1C[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000882698232 598025639 /nfs/dbraw/zinc/02/56/39/598025639.db2.gz KIJPGPYBRLFWFV-DTORHVGOSA-N -1 1 334.781 1.952 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)cc1F ZINC000921312322 697554986 /nfs/dbraw/zinc/55/49/86/697554986.db2.gz XNAYSPCUSTZUDS-RISCZKNCSA-N -1 1 344.364 1.888 20 5 EDBDMM Cc1cc([C@@](C)(O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(C)o1 ZINC000187123095 236124574 /nfs/dbraw/zinc/12/45/74/236124574.db2.gz CJWGUXVRYDWYRU-HNNXBMFYSA-N -1 1 335.316 1.543 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@](O)(C(F)(F)F)C1 ZINC000444960707 296283178 /nfs/dbraw/zinc/28/31/78/296283178.db2.gz YSFFJJYZOZIUJU-NSHDSACASA-N -1 1 335.238 1.225 20 5 EDBDMM O=C(N[C@H]1CCN(c2ncccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153314357 224086548 /nfs/dbraw/zinc/08/65/48/224086548.db2.gz IFFDWDJVWQFRDE-VIFPVBQESA-N -1 1 347.306 1.238 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CCOC2(CCC2)C1 ZINC000570366492 306538870 /nfs/dbraw/zinc/53/88/70/306538870.db2.gz QMSPNCRGLFYDMM-LLVKDONJSA-N -1 1 341.389 1.617 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@@](C)(OC)C2CC2)c([N+](=O)[O-])n1 ZINC000416603182 304336748 /nfs/dbraw/zinc/33/67/48/304336748.db2.gz SPGIBJGMXWQDTI-TVQRCGJNSA-N -1 1 346.409 1.293 20 5 EDBDMM Cc1nnc([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000275100306 268280761 /nfs/dbraw/zinc/28/07/61/268280761.db2.gz IQAOKQVHVNJLCJ-SECBINFHSA-N -1 1 332.320 1.142 20 5 EDBDMM Cc1noc(C(C)(C)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000284573090 274249347 /nfs/dbraw/zinc/24/93/47/274249347.db2.gz GMQKAERKZDRTPY-UHFFFAOYSA-N -1 1 340.361 1.808 20 5 EDBDMM Cc1nnc([C@@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[nH]1 ZINC000367297592 293365089 /nfs/dbraw/zinc/36/50/89/293365089.db2.gz CUYWFWUVSGXBHW-JTQLQIEISA-N -1 1 332.320 1.489 20 5 EDBDMM CN(C[C@H](O)Cc1ccccc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000293737160 303012008 /nfs/dbraw/zinc/01/20/08/303012008.db2.gz RYTJBIFLSHAWTI-CYBMUJFWSA-N -1 1 331.328 1.371 20 5 EDBDMM O=c1[n-]nc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)o1 ZINC000295340109 303206591 /nfs/dbraw/zinc/20/65/91/303206591.db2.gz MYVDUUSDSOWCCF-CYBMUJFWSA-N -1 1 334.332 1.184 20 5 EDBDMM COCCCN1C(=O)N=NC1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436475303 305157993 /nfs/dbraw/zinc/15/79/93/305157993.db2.gz OKKNCRSYKSVZAQ-UHFFFAOYSA-N -1 1 340.361 1.926 20 5 EDBDMM O=C(CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)Nc1ccc(F)cc1 ZINC000445182542 305257620 /nfs/dbraw/zinc/25/76/20/305257620.db2.gz ILSIWIPGMSQEBY-UHFFFAOYSA-N -1 1 334.263 1.203 20 5 EDBDMM CC(C)(NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000450007111 305322961 /nfs/dbraw/zinc/32/29/61/305322961.db2.gz XXENFBODKUUSNF-UHFFFAOYSA-N -1 1 332.320 1.122 20 5 EDBDMM C[C@H](Cc1cnn(C)c1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000451961973 305374520 /nfs/dbraw/zinc/37/45/20/305374520.db2.gz GXIPEJGAJBNBGF-MRVPVSSYSA-N -1 1 330.391 1.299 20 5 EDBDMM CC(C)(C)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000536523382 306021201 /nfs/dbraw/zinc/02/12/01/306021201.db2.gz MLFYFFDTPRTORP-PWSUYJOCSA-N -1 1 343.405 1.862 20 5 EDBDMM CO[C@]1(C)C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])C1(C)C ZINC000074975657 441484727 /nfs/dbraw/zinc/48/47/27/441484727.db2.gz AMEREWFPUJPNON-ZWNOBZJWSA-N -1 1 329.378 1.472 20 5 EDBDMM CC1(C)[C@@H]([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000153336300 442276404 /nfs/dbraw/zinc/27/64/04/442276404.db2.gz QDSYYFLUKWIUDU-HJIKLVIJSA-N -1 1 344.364 1.826 20 5 EDBDMM CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188449636 442751585 /nfs/dbraw/zinc/75/15/85/442751585.db2.gz TXZUMLVUCOGQTA-MRVPVSSYSA-N -1 1 349.796 1.393 20 5 EDBDMM CC(C)c1nnc2n1CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H]2C ZINC000188711979 442794302 /nfs/dbraw/zinc/79/43/02/442794302.db2.gz PEQVUHSUVKUDBB-VIFPVBQESA-N -1 1 346.347 1.627 20 5 EDBDMM C[S@](=O)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000193680344 442766928 /nfs/dbraw/zinc/76/69/28/442766928.db2.gz TYBOYLRCMXJZKW-QHCPKHFHSA-N -1 1 335.341 1.363 20 5 EDBDMM C[C@@H]1CCNC(=O)[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000195477662 443023180 /nfs/dbraw/zinc/02/31/80/443023180.db2.gz PECOCLIHPWXNPF-XCBNKYQSSA-N -1 1 347.780 1.051 20 5 EDBDMM NC(=O)C1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000265223027 443575078 /nfs/dbraw/zinc/57/50/78/443575078.db2.gz OYFVUUQEHMEKEL-UHFFFAOYSA-N -1 1 345.352 1.058 20 5 EDBDMM COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000448738622 320155562 /nfs/dbraw/zinc/15/55/62/320155562.db2.gz PQJGOVLXGBVXOC-CDMKHQONSA-N -1 1 349.343 1.642 20 5 EDBDMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000276471224 443717685 /nfs/dbraw/zinc/71/76/85/443717685.db2.gz PFEOCUICSRYQHQ-UHFFFAOYSA-N -1 1 339.348 1.888 20 5 EDBDMM CCC[C@@H](NC(=O)CCOc1cc(C)ccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000281589273 443951875 /nfs/dbraw/zinc/95/18/75/443951875.db2.gz NLAJEMGKGRLPEG-LLVKDONJSA-N -1 1 348.363 1.843 20 5 EDBDMM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000547813850 320844730 /nfs/dbraw/zinc/84/47/30/320844730.db2.gz ZZSISZWOEUKXBR-VXGBXAGGSA-N -1 1 343.405 1.862 20 5 EDBDMM O=c1nc([C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)[nH][n-]1 ZINC000289393183 444128471 /nfs/dbraw/zinc/12/84/71/444128471.db2.gz KGRFAHKMTVGYRV-NSHDSACASA-N -1 1 333.348 1.265 20 5 EDBDMM O=c1nc(C2CCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)[nH][n-]1 ZINC000296704660 444249297 /nfs/dbraw/zinc/24/92/97/444249297.db2.gz FQHHHXNQZWVUAR-UHFFFAOYSA-N -1 1 329.320 1.267 20 5 EDBDMM O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc([N+](=O)[O-])[n-]1 ZINC000340635466 444466614 /nfs/dbraw/zinc/46/66/14/444466614.db2.gz LAPFLIBMMKAYOQ-UHFFFAOYSA-N -1 1 342.311 1.824 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](c1cccnc1)C1CC1 ZINC000580457143 322054918 /nfs/dbraw/zinc/05/49/18/322054918.db2.gz HGERJUQKFFRBFA-CYBMUJFWSA-N -1 1 334.357 1.814 20 5 EDBDMM CCN1CCN([C@H]2CCN(c3cc(C(=O)[O-])ccc3[N+](=O)[O-])C2)CC1 ZINC000581729371 322214398 /nfs/dbraw/zinc/21/43/98/322214398.db2.gz UOQBKRGNUUKHDG-AWEZNQCLSA-N -1 1 348.403 1.509 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2ccccc2C)c([N+](=O)[O-])n1 ZINC000339048349 445007590 /nfs/dbraw/zinc/00/75/90/445007590.db2.gz MDJSGABFJNQRGL-UHFFFAOYSA-N -1 1 338.389 1.641 20 5 EDBDMM COC(=O)c1c[n-]c(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)n1 ZINC000350184321 445788870 /nfs/dbraw/zinc/78/88/70/445788870.db2.gz NKEZWFVSSGWJCO-UHFFFAOYSA-N -1 1 325.302 1.078 20 5 EDBDMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)c1n[nH]cc1[N+](=O)[O-] ZINC000358923703 445850893 /nfs/dbraw/zinc/85/08/93/445850893.db2.gz XMXMSAZQZYDECJ-UHFFFAOYSA-N -1 1 343.296 1.081 20 5 EDBDMM CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)[C@H]2C1 ZINC000356619537 445890488 /nfs/dbraw/zinc/89/04/88/445890488.db2.gz NHWBLJRZPQJZQG-WCFLWFBJSA-N -1 1 348.359 1.072 20 5 EDBDMM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000583183028 326019454 /nfs/dbraw/zinc/01/94/54/326019454.db2.gz RBELSUDKBPMLFG-UHFFFAOYSA-N -1 1 345.311 1.739 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCC[C@H]1OC(F)F ZINC000583309721 326046191 /nfs/dbraw/zinc/04/61/91/326046191.db2.gz HZAZVYFNJODLAX-HTQZYQBOSA-N -1 1 337.304 1.428 20 5 EDBDMM COC[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000351524685 446127160 /nfs/dbraw/zinc/12/71/60/446127160.db2.gz PHJUIYKSYXBGAS-LBPRGKRZSA-N -1 1 331.328 1.683 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2ccccc2Cl)c([N+](=O)[O-])n1 ZINC000435798606 446711939 /nfs/dbraw/zinc/71/19/39/446711939.db2.gz JAHNCOOLNMVDHI-UHFFFAOYSA-N -1 1 344.780 1.943 20 5 EDBDMM CNc1c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)cccc1[N+](=O)[O-] ZINC000425305680 447105202 /nfs/dbraw/zinc/10/52/02/447105202.db2.gz RKFHUCYJGRERBU-VIFPVBQESA-N -1 1 347.331 1.745 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]CCc2scnc2C)c([N+](=O)[O-])n1 ZINC000451786857 447753924 /nfs/dbraw/zinc/75/39/24/447753924.db2.gz LIFLOAXPSISTTM-UHFFFAOYSA-N -1 1 345.406 1.097 20 5 EDBDMM Cc1nnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000531839549 448157200 /nfs/dbraw/zinc/15/72/00/448157200.db2.gz HXUCRYUGZPZKDQ-VIFPVBQESA-N -1 1 340.361 1.943 20 5 EDBDMM CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C(=O)OC ZINC000582543207 448268415 /nfs/dbraw/zinc/26/84/15/448268415.db2.gz UUBCBOJNRGFGTE-ZJUUUORDSA-N -1 1 345.377 1.246 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2SC)c([N+](=O)[O-])n1 ZINC000593622423 449113925 /nfs/dbraw/zinc/11/39/25/449113925.db2.gz AAVHHSWYJFGALM-NXEZZACHSA-N -1 1 348.450 1.764 20 5 EDBDMM Cn1cc([C@@H]2C[C@H](NC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CCO2)cn1 ZINC000590401555 449148758 /nfs/dbraw/zinc/14/87/58/449148758.db2.gz GECAEOZIHRZMAK-MFKMUULPSA-N -1 1 347.331 1.079 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000600869498 449577584 /nfs/dbraw/zinc/57/75/84/449577584.db2.gz MMWKOEFPYRLNBN-GFCCVEGCSA-N -1 1 335.360 1.524 20 5 EDBDMM O=C(N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000610777470 450332668 /nfs/dbraw/zinc/33/26/68/450332668.db2.gz TXCSCEHYANJYNX-NSHDSACASA-N -1 1 348.359 1.216 20 5 EDBDMM CCC[C@@H](NC(=O)CCOc1ccccc1[N+](=O)[O-])c1nn[n-]n1 ZINC000610714066 450308686 /nfs/dbraw/zinc/30/86/86/450308686.db2.gz IPTXIJIJYVEVOH-SNVBAGLBSA-N -1 1 334.336 1.534 20 5 EDBDMM COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc([N+](=O)[O-])c1O ZINC000619864588 450346239 /nfs/dbraw/zinc/34/62/39/450346239.db2.gz KLGJWFDAPWNWJM-IHWYPQMZSA-N -1 1 333.256 1.673 20 5 EDBDMM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000610873580 450364057 /nfs/dbraw/zinc/36/40/57/450364057.db2.gz JAIDWKKVFODWEH-CYBMUJFWSA-N -1 1 349.387 1.627 20 5 EDBDMM CC[C@@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(=O)OC ZINC000353410259 535671198 /nfs/dbraw/zinc/67/11/98/535671198.db2.gz GSZANEZLWXKIBG-ZWNOBZJWSA-N -1 1 344.389 1.602 20 5 EDBDMM CCc1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c([O-])cc2C)cn1 ZINC000346488863 536169678 /nfs/dbraw/zinc/16/96/78/536169678.db2.gz JMLYGANMFNLSJQ-UHFFFAOYSA-N -1 1 338.345 1.762 20 5 EDBDMM O=C([O-])N1CC[C@@H](CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)C1 ZINC000740432682 579345980 /nfs/dbraw/zinc/34/59/80/579345980.db2.gz YTTNFWYKRGXQPO-SECBINFHSA-N -1 1 347.331 1.591 20 5 EDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736828878 579024469 /nfs/dbraw/zinc/02/44/69/579024469.db2.gz RUQHJIKUMJZOPG-UHFFFAOYSA-N -1 1 339.315 1.442 20 5 EDBDMM CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736828878 579024470 /nfs/dbraw/zinc/02/44/70/579024470.db2.gz RUQHJIKUMJZOPG-UHFFFAOYSA-N -1 1 339.315 1.442 20 5 EDBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738087299 579158360 /nfs/dbraw/zinc/15/83/60/579158360.db2.gz BPKGOQYDONSDRO-UHFFFAOYSA-N -1 1 339.315 1.142 20 5 EDBDMM O=C(NCCc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738087299 579158361 /nfs/dbraw/zinc/15/83/61/579158361.db2.gz BPKGOQYDONSDRO-UHFFFAOYSA-N -1 1 339.315 1.142 20 5 EDBDMM Cc1cc(=O)[nH]cc1[N-]S(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000759161536 579999924 /nfs/dbraw/zinc/99/99/24/579999924.db2.gz ZQGCDBIWCMPZQB-UHFFFAOYSA-N -1 1 327.293 1.944 20 5 EDBDMM Cn1[n-]c(COC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc1=O ZINC000765490262 580143742 /nfs/dbraw/zinc/14/37/42/580143742.db2.gz YXWRGJGVEBGQTA-UHFFFAOYSA-N -1 1 346.221 1.392 20 5 EDBDMM C[C@H](CNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC1(C)OCCO1 ZINC000776349668 580415437 /nfs/dbraw/zinc/41/54/37/580415437.db2.gz FFKMMUJMCPKAIN-VIFPVBQESA-N -1 1 325.321 1.214 20 5 EDBDMM CC(C)[C@@H](C(=O)[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1)N(C)C ZINC000798818101 581009564 /nfs/dbraw/zinc/00/95/64/581009564.db2.gz MNEXVQHQBXQKAC-LBPRGKRZSA-N -1 1 347.368 1.125 20 5 EDBDMM COC(=O)c1c[n-]nc1S(=O)(=O)Oc1cccc(C)c1[N+](=O)[O-] ZINC000912541718 593104541 /nfs/dbraw/zinc/10/45/41/593104541.db2.gz JWTVHYVGLIJEPQ-UHFFFAOYSA-N -1 1 341.301 1.181 20 5 EDBDMM C[S@@](=O)CC[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815015290 593609746 /nfs/dbraw/zinc/60/97/46/593609746.db2.gz FCUKNSXATGRQTP-LJQANCHMSA-N -1 1 344.773 1.044 20 5 EDBDMM C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815032707 593610920 /nfs/dbraw/zinc/61/09/20/593610920.db2.gz XBQOFSHMTGQIDA-BQBZGAKWSA-N -1 1 340.760 1.825 20 5 EDBDMM CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825035179 594119220 /nfs/dbraw/zinc/11/92/20/594119220.db2.gz WKWXGRDHRIDUNO-UHFFFAOYSA-N -1 1 345.363 1.224 20 5 EDBDMM CCC(=O)N1CCCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825035179 594119221 /nfs/dbraw/zinc/11/92/21/594119221.db2.gz WKWXGRDHRIDUNO-UHFFFAOYSA-N -1 1 345.363 1.224 20 5 EDBDMM O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(-c2nnn[n-]2)s1 ZINC000823054835 594145731 /nfs/dbraw/zinc/14/57/31/594145731.db2.gz FHKIBWQIONRIMK-UHFFFAOYSA-N -1 1 347.316 1.249 20 5 EDBDMM O=C(COc1ccccc1[N+](=O)[O-])Nc1ncc(-c2nn[n-]n2)s1 ZINC000823054835 594145733 /nfs/dbraw/zinc/14/57/33/594145733.db2.gz FHKIBWQIONRIMK-UHFFFAOYSA-N -1 1 347.316 1.249 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000828019761 594323151 /nfs/dbraw/zinc/32/31/51/594323151.db2.gz CEEKCKJUBLMYGI-MRXNPFEDSA-N -1 1 333.344 1.281 20 5 EDBDMM CCCc1n[nH]c(C(=O)N(C)CC(C)(C)CNC(=O)[O-])c1[N+](=O)[O-] ZINC000826948830 594608250 /nfs/dbraw/zinc/60/82/50/594608250.db2.gz HMKPLDOUZVYTQJ-UHFFFAOYSA-N -1 1 341.368 1.636 20 5 EDBDMM C[N@@H+]1CCC[C@H](CC[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])C1 ZINC000841548053 594920426 /nfs/dbraw/zinc/92/04/26/594920426.db2.gz DRQGFTNRALFRQE-LLVKDONJSA-N -1 1 345.396 1.744 20 5 EDBDMM CN(C[C@@]1(O)CCc2ccccc21)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000843962121 595227133 /nfs/dbraw/zinc/22/71/33/595227133.db2.gz WYSKNLGZUMZBGB-KRWDZBQOSA-N -1 1 343.339 1.601 20 5 EDBDMM O=C(NC[C@@H](O)c1c(F)cccc1F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000130608289 598121872 /nfs/dbraw/zinc/12/18/72/598121872.db2.gz GNRCRSNSXSSXAU-LLVKDONJSA-N -1 1 339.254 1.437 20 5 EDBDMM CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000223592293 139021259 /nfs/dbraw/zinc/02/12/59/139021259.db2.gz CKORDFDWKBPHPA-VXNVDRBHSA-N -1 1 338.382 1.125 20 5 EDBDMM O=C(NCCCOC[C@H]1CCCO1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000263986599 139374016 /nfs/dbraw/zinc/37/40/16/139374016.db2.gz DRTGDXZWCYUGLX-LLVKDONJSA-N -1 1 325.321 1.011 20 5 EDBDMM COC(=O)[C@@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H]1C(C)C ZINC000345071263 143046724 /nfs/dbraw/zinc/04/67/24/143046724.db2.gz DXRAQQJQPLYDTP-ZYHUDNBSSA-N -1 1 337.332 1.355 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])n1 ZINC000416504374 304325875 /nfs/dbraw/zinc/32/58/75/304325875.db2.gz ULKRSSIFXOFHQP-SNVBAGLBSA-N -1 1 346.409 1.295 20 5 EDBDMM Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)no1 ZINC000355399402 150252738 /nfs/dbraw/zinc/25/27/38/150252738.db2.gz LRINMZHRJPKKML-UHFFFAOYSA-N -1 1 332.363 1.561 20 5 EDBDMM CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)c1nn[n-]n1 ZINC000361213179 152337369 /nfs/dbraw/zinc/33/73/69/152337369.db2.gz XXISZVPCLHFWTK-NSHDSACASA-N -1 1 332.364 1.728 20 5 EDBDMM O=C(NCc1cccc(-n2cncn2)c1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000364594541 153281694 /nfs/dbraw/zinc/28/16/94/153281694.db2.gz HZQNGSHCQSQBTE-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@H](CCO)c2ccco2)s1 ZINC000184281409 267678072 /nfs/dbraw/zinc/67/80/72/267678072.db2.gz VLHMPRNXMGBCIC-MRVPVSSYSA-N -1 1 332.359 1.651 20 5 EDBDMM CC(C)[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000278060798 273245202 /nfs/dbraw/zinc/24/52/02/273245202.db2.gz FHHPPABRNQXTSB-LLVKDONJSA-N -1 1 339.348 1.792 20 5 EDBDMM CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000180373834 278485979 /nfs/dbraw/zinc/48/59/79/278485979.db2.gz JROMOOUJOGOQIO-LLVKDONJSA-N -1 1 336.797 1.934 20 5 EDBDMM Cn1nccc1C1=CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000289408228 288693128 /nfs/dbraw/zinc/69/31/28/288693128.db2.gz RBXFPRBJRADDEW-UHFFFAOYSA-N -1 1 329.316 1.358 20 5 EDBDMM CC[C@H](COCC(F)(F)F)NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000295468842 303223779 /nfs/dbraw/zinc/22/37/79/303223779.db2.gz QNXROMNMZOTIHD-MRVPVSSYSA-N -1 1 337.254 1.783 20 5 EDBDMM CCn1ccnc1C[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000295503958 303227730 /nfs/dbraw/zinc/22/77/30/303227730.db2.gz OCYMAZIMLUOKRV-UHFFFAOYSA-N -1 1 344.780 1.943 20 5 EDBDMM NC(=O)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000152159967 303296927 /nfs/dbraw/zinc/29/69/27/303296927.db2.gz MJMYQOVBQAMZDF-SCZZXKLOSA-N -1 1 345.352 1.056 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]c2cc(C3CC3)n[nH]2)c([N+](=O)[O-])n1 ZINC000443421983 305238221 /nfs/dbraw/zinc/23/82/21/305238221.db2.gz ZQEWWAUSFCONLQ-UHFFFAOYSA-N -1 1 326.338 1.213 20 5 EDBDMM CC(=O)N[C@@H](C)C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000445211561 305258075 /nfs/dbraw/zinc/25/80/75/305258075.db2.gz KODHGZBKDXZVQL-VIFPVBQESA-N -1 1 336.348 1.072 20 5 EDBDMM CC1(C)COC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000451978100 305375879 /nfs/dbraw/zinc/37/58/79/305375879.db2.gz OGZRURHLDHVUGE-SNVBAGLBSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C(N[C@@H]1CC(=O)N(C2CCCCC2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000488467720 305559407 /nfs/dbraw/zinc/55/94/07/305559407.db2.gz RHLLSSNZEDANSC-SNVBAGLBSA-N -1 1 348.359 1.359 20 5 EDBDMM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000013850562 441167741 /nfs/dbraw/zinc/16/77/41/441167741.db2.gz HZNUKUBJULMZND-UHFFFAOYSA-N -1 1 349.368 1.684 20 5 EDBDMM CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000024660922 441316213 /nfs/dbraw/zinc/31/62/13/441316213.db2.gz YLUPHOKAPDENMB-NSHDSACASA-N -1 1 345.311 1.195 20 5 EDBDMM O=C(NCC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000146546003 441897751 /nfs/dbraw/zinc/89/77/51/441897751.db2.gz ZENLARDRYJCXLS-UHFFFAOYSA-N -1 1 347.780 1.053 20 5 EDBDMM COc1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)ccc1[N+](=O)[O-] ZINC000192136054 442600780 /nfs/dbraw/zinc/60/07/80/442600780.db2.gz XZRTVFBVFFOFNP-UHFFFAOYSA-N -1 1 346.258 1.782 20 5 EDBDMM O=C(NCc1cccnc1-n1ccnc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186883270 442624710 /nfs/dbraw/zinc/62/47/10/442624710.db2.gz BSXGKFUKIVLLEO-UHFFFAOYSA-N -1 1 340.299 1.206 20 5 EDBDMM CN1CC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1=O ZINC000192653560 442673085 /nfs/dbraw/zinc/67/30/85/442673085.db2.gz BWIHQBCINDLHRK-MRVPVSSYSA-N -1 1 347.780 1.147 20 5 EDBDMM C[C@H]1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000193702536 442769444 /nfs/dbraw/zinc/76/94/44/442769444.db2.gz AYLKNOHRHCUBIJ-GWCFXTLKSA-N -1 1 331.332 1.615 20 5 EDBDMM C[C@@H](CO[C@@H]1CCOC1)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000267890102 442779188 /nfs/dbraw/zinc/77/91/88/442779188.db2.gz ROKXHNUVJHNTHT-VHSXEESVSA-N -1 1 348.352 1.206 20 5 EDBDMM O=C(Nc1nn[n-]n1)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000194667827 442933779 /nfs/dbraw/zinc/93/37/79/442933779.db2.gz IRGSJEGSAYUCTC-UHFFFAOYSA-N -1 1 340.299 1.939 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000413951881 319306321 /nfs/dbraw/zinc/30/63/21/319306321.db2.gz YGZLYHTVJQOLLH-CHWSQXEVSA-N -1 1 329.312 1.644 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])n1 ZINC000534316056 320703093 /nfs/dbraw/zinc/70/30/93/320703093.db2.gz IRKJURHILUFJIG-RKDXNWHRSA-N -1 1 332.382 1.046 20 5 EDBDMM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299409139 444038627 /nfs/dbraw/zinc/03/86/27/444038627.db2.gz OGQARSUEHCVZEI-NEPJUHHUSA-N -1 1 343.380 1.639 20 5 EDBDMM CN(CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000277798949 444042749 /nfs/dbraw/zinc/04/27/49/444042749.db2.gz WEBAUPQTQCXBKI-UHFFFAOYSA-N -1 1 340.336 1.292 20 5 EDBDMM COC(=O)[C@@H]1CC12CCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)CC2 ZINC000277808277 444045341 /nfs/dbraw/zinc/04/53/41/444045341.db2.gz XDVCMUPIANFQBR-JTQLQIEISA-N -1 1 335.316 1.111 20 5 EDBDMM O=c1nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)[nH][n-]1 ZINC000285673793 444067923 /nfs/dbraw/zinc/06/79/23/444067923.db2.gz PPISYOXHBFQVAA-SNVBAGLBSA-N -1 1 340.343 1.938 20 5 EDBDMM C[C@H](O)C[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000290638771 444304439 /nfs/dbraw/zinc/30/44/39/444304439.db2.gz DGPVKDJCAWUKJF-YFKPBYRVSA-N -1 1 329.161 1.561 20 5 EDBDMM Cc1ccn2cc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)nc2c1 ZINC000342260408 444595682 /nfs/dbraw/zinc/59/56/82/444595682.db2.gz CZPQSQGWUYPWHF-UHFFFAOYSA-N -1 1 327.300 1.582 20 5 EDBDMM C[S@](=O)Cc1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000344066260 444761814 /nfs/dbraw/zinc/76/18/14/444761814.db2.gz BERLKXJKVQUIJZ-DEOSSOPVSA-N -1 1 349.368 1.504 20 5 EDBDMM CCOC(=O)c1ccnc([N-]c2cnn(CCOC)c2)c1[N+](=O)[O-] ZINC000348174960 445304749 /nfs/dbraw/zinc/30/47/49/445304749.db2.gz NKCJIRTUUNZLIM-UHFFFAOYSA-N -1 1 335.320 1.753 20 5 EDBDMM COC(=O)c1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000351747644 445306277 /nfs/dbraw/zinc/30/62/77/445306277.db2.gz XEBVIKQIGLNCTD-UHFFFAOYSA-N -1 1 345.311 1.455 20 5 EDBDMM CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1(c2nn[n-]n2)CC1 ZINC000357057224 445399174 /nfs/dbraw/zinc/39/91/74/445399174.db2.gz PFNWAYDTJLQUCW-UHFFFAOYSA-N -1 1 334.361 1.639 20 5 EDBDMM COc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc([N+](=O)[O-])c1C ZINC000365044924 445989995 /nfs/dbraw/zinc/98/99/95/445989995.db2.gz NRNDQZMOGXBTRR-JTQLQIEISA-N -1 1 346.347 1.445 20 5 EDBDMM CCOC(=O)C1(C)CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000373196514 446091030 /nfs/dbraw/zinc/09/10/30/446091030.db2.gz XQXJMZQIDIELBY-UHFFFAOYSA-N -1 1 337.332 1.501 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000366258131 446110076 /nfs/dbraw/zinc/11/00/76/446110076.db2.gz HGFLMBPYYLWZEA-GFCCVEGCSA-N -1 1 330.300 1.384 20 5 EDBDMM CCn1cnnc1C1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1 ZINC000362106697 446217365 /nfs/dbraw/zinc/21/73/65/446217365.db2.gz OUYQDBUQMLLAQK-UHFFFAOYSA-N -1 1 346.347 1.327 20 5 EDBDMM Cc1cc(F)c(S(=O)(=O)[N-]CCn2cc([N+](=O)[O-])cn2)c(F)c1 ZINC000425170093 447040883 /nfs/dbraw/zinc/04/08/83/447040883.db2.gz QVNLTKHVZHLSHU-UHFFFAOYSA-N -1 1 346.315 1.356 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCSCCCO)s1 ZINC000443308389 447030160 /nfs/dbraw/zinc/03/01/60/447030160.db2.gz QCNHFALTJKOMKY-UHFFFAOYSA-N -1 1 326.421 1.050 20 5 EDBDMM COc1cc([N+](=O)[O-])ccc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000427828968 447656882 /nfs/dbraw/zinc/65/68/82/447656882.db2.gz CVNABPGLBKHVMK-UHFFFAOYSA-N -1 1 332.320 1.316 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CC1(c2ccccc2)CC1 ZINC000525641844 448006742 /nfs/dbraw/zinc/00/67/42/448006742.db2.gz GWUWRTHLYPVEPM-UHFFFAOYSA-N -1 1 333.369 2.000 20 5 EDBDMM C[C@H]1CCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C[C@H]1C(=O)[O-] ZINC000571999962 448259326 /nfs/dbraw/zinc/25/93/26/448259326.db2.gz CUSKHRYMAMYMHS-SMDDNHRTSA-N -1 1 347.371 1.527 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]Cc1noc2c1CCCC2 ZINC000577912801 448414740 /nfs/dbraw/zinc/41/47/40/448414740.db2.gz LRULQRATUQARSL-UHFFFAOYSA-N -1 1 338.345 1.335 20 5 EDBDMM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000533884200 448428182 /nfs/dbraw/zinc/42/81/82/448428182.db2.gz CQNZYRLOTQSATP-LLVKDONJSA-N -1 1 349.368 1.930 20 5 EDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000567501259 448704757 /nfs/dbraw/zinc/70/47/57/448704757.db2.gz JYWLTAHPGCTPIZ-SUNKGSAMSA-N -1 1 335.360 1.964 20 5 EDBDMM COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CC2)cc1[N+](=O)[O-] ZINC000567613036 448724137 /nfs/dbraw/zinc/72/41/37/448724137.db2.gz KBRQWVPQOSFCGL-CYBMUJFWSA-N -1 1 330.362 1.770 20 5 EDBDMM C[C@@H](CN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl)c1nn[n-]n1 ZINC000183422170 533713812 /nfs/dbraw/zinc/71/38/12/533713812.db2.gz YYQCBTGTSHLYTD-QMMMGPOBSA-N -1 1 338.755 1.566 20 5 EDBDMM O=C(N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000592872878 449029622 /nfs/dbraw/zinc/02/96/22/449029622.db2.gz MNAWFNNTRXLHHY-TZMCWYRMSA-N -1 1 344.327 1.741 20 5 EDBDMM C[C@@H](C(=O)[O-])C1(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000593272807 449200913 /nfs/dbraw/zinc/20/09/13/449200913.db2.gz CDGDCUDTYLHWIJ-ZETCQYMHSA-N -1 1 332.309 1.266 20 5 EDBDMM CC[C@@H](C(=O)[O-])N(C)CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000593289195 449208236 /nfs/dbraw/zinc/20/82/36/449208236.db2.gz UBNVPBJOEYFXAF-LBPRGKRZSA-N -1 1 330.362 1.164 20 5 EDBDMM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(N2CCOCC2)CC1 ZINC000600105417 449190940 /nfs/dbraw/zinc/19/09/40/449190940.db2.gz QAOUEXXVDGZLAW-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM Cc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000604512930 449242426 /nfs/dbraw/zinc/24/24/26/449242426.db2.gz GIAHKTGKQRFXFJ-AWEZNQCLSA-N -1 1 338.327 1.936 20 5 EDBDMM COC(=O)[C@@](C)([N-]S(=O)(=O)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000599487646 450016480 /nfs/dbraw/zinc/01/64/80/450016480.db2.gz TUHREZLJADDIDW-AWEZNQCLSA-N -1 1 342.373 1.312 20 5 EDBDMM Cc1noc(C)c1CC[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610263159 450173378 /nfs/dbraw/zinc/17/33/78/450173378.db2.gz NPXQYEJNTQVJHX-UHFFFAOYSA-N -1 1 326.334 1.116 20 5 EDBDMM C[C@@]1(c2ccccc2)C[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610265511 450175955 /nfs/dbraw/zinc/17/59/55/450175955.db2.gz QPQRMVDSIUFMQM-HIFRSBDPSA-N -1 1 333.369 1.998 20 5 EDBDMM COCCN(C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000344817720 536746871 /nfs/dbraw/zinc/74/68/71/536746871.db2.gz UCVCLSFDEFZBDT-LLVKDONJSA-N -1 1 341.389 1.680 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1CC1(Cl)Cl ZINC000742273988 579446324 /nfs/dbraw/zinc/44/63/24/579446324.db2.gz NITZFVOPESHPHA-LURJTMIESA-N -1 1 326.161 1.462 20 5 EDBDMM C[C@H](COc1ccccc1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000742279866 579446536 /nfs/dbraw/zinc/44/65/36/579446536.db2.gz YNBYWDOODVWZTO-LLVKDONJSA-N -1 1 337.357 1.736 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCOC[C@@H]1CCCO1 ZINC000734499090 578819265 /nfs/dbraw/zinc/81/92/65/578819265.db2.gz HBDRWOGYRMOMFY-JTQLQIEISA-N -1 1 348.352 1.208 20 5 EDBDMM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768834478 580221716 /nfs/dbraw/zinc/22/17/16/580221716.db2.gz JJLGKVIKAVDIQE-QMMMGPOBSA-N -1 1 330.391 1.738 20 5 EDBDMM NC(=O)[C@@H](OC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000769047994 580226385 /nfs/dbraw/zinc/22/63/85/580226385.db2.gz LTXOBCPEDMMDNX-ZDUSSCGKSA-N -1 1 334.259 1.823 20 5 EDBDMM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770502118 580262420 /nfs/dbraw/zinc/26/24/20/580262420.db2.gz GIRDMZAYBVGCIG-LBPRGKRZSA-N -1 1 329.316 1.601 20 5 EDBDMM Cc1nn(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000799140234 581018388 /nfs/dbraw/zinc/01/83/88/581018388.db2.gz CVLJLBIURNZVMA-UHFFFAOYSA-N -1 1 349.313 1.448 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccnc1-2 ZINC000801700615 581082654 /nfs/dbraw/zinc/08/26/54/581082654.db2.gz MXDCFTVGWNVSNK-UHFFFAOYSA-N -1 1 341.283 1.231 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2COC[C@@H]2C2CC2)cc1F ZINC000908408021 592483944 /nfs/dbraw/zinc/48/39/44/592483944.db2.gz OIIOAQIONHRBKN-PWSUYJOCSA-N -1 1 344.364 1.746 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]C[C@H]1CC[C@H](C2CC2)O1 ZINC000907470353 592651715 /nfs/dbraw/zinc/65/17/15/592651715.db2.gz RSKOYPXPYAAPDW-ZYHUDNBSSA-N -1 1 344.364 1.970 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000815019118 593610004 /nfs/dbraw/zinc/61/00/04/593610004.db2.gz CVZWGVODXSVGKR-RNFRBKRXSA-N -1 1 340.760 1.683 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCO[C@H]1CCCCO1 ZINC000820720416 593871307 /nfs/dbraw/zinc/87/13/07/593871307.db2.gz KQLWBOJHISCXLH-LBPRGKRZSA-N -1 1 348.352 1.555 20 5 EDBDMM O=C(OCc1ccccc1-c1nn[nH]n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000823430873 594200912 /nfs/dbraw/zinc/20/09/12/594200912.db2.gz KWLIQYVURYSQTI-UHFFFAOYSA-N -1 1 341.283 1.838 20 5 EDBDMM Cc1onc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1-c1nnn[n-]1 ZINC000826293218 594412612 /nfs/dbraw/zinc/41/26/12/594412612.db2.gz GKVIODBQCKXHMF-UHFFFAOYSA-N -1 1 343.303 1.561 20 5 EDBDMM Cc1onc(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1-c1nn[n-]n1 ZINC000826293218 594412613 /nfs/dbraw/zinc/41/26/13/594412613.db2.gz GKVIODBQCKXHMF-UHFFFAOYSA-N -1 1 343.303 1.561 20 5 EDBDMM Cc1cnccc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000826319533 594423822 /nfs/dbraw/zinc/42/38/22/594423822.db2.gz HHCZXSOMKVSAFK-UHFFFAOYSA-N -1 1 326.320 1.528 20 5 EDBDMM Cc1cnccc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000826319533 594423825 /nfs/dbraw/zinc/42/38/25/594423825.db2.gz HHCZXSOMKVSAFK-UHFFFAOYSA-N -1 1 326.320 1.528 20 5 EDBDMM C[C@H]1CN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C(=O)[O-] ZINC000828461946 594426610 /nfs/dbraw/zinc/42/66/10/594426610.db2.gz FRZJYWQPLRFXIW-CABZTGNLSA-N -1 1 332.316 1.797 20 5 EDBDMM Cc1ocnc1C(=O)[N-]c1cc(-c2nn[nH]n2)cc([N+](=O)[O-])c1Cl ZINC000826342734 594436580 /nfs/dbraw/zinc/43/65/80/594436580.db2.gz XOJYIXDKJMAPPF-UHFFFAOYSA-N -1 1 349.694 1.977 20 5 EDBDMM O=c1c(-c2nn[n-]n2)cccn1CCOc1ccccc1[N+](=O)[O-] ZINC000826501578 594504135 /nfs/dbraw/zinc/50/41/35/594504135.db2.gz WSIQYCWVQPFORM-UHFFFAOYSA-N -1 1 328.288 1.016 20 5 EDBDMM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826501535 594504264 /nfs/dbraw/zinc/50/42/64/594504264.db2.gz UYMYLOHPOIWBTR-UHFFFAOYSA-N -1 1 333.695 1.033 20 5 EDBDMM O=c1c([N+](=O)[O-])cc(Cl)cn1Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826501535 594504266 /nfs/dbraw/zinc/50/42/66/594504266.db2.gz UYMYLOHPOIWBTR-UHFFFAOYSA-N -1 1 333.695 1.033 20 5 EDBDMM CO[C@H]1COCC[C@@H]1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000832065927 594723575 /nfs/dbraw/zinc/72/35/75/594723575.db2.gz IJOQARWJXNLFHY-KOLCDFICSA-N -1 1 348.352 1.064 20 5 EDBDMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000833618687 594887454 /nfs/dbraw/zinc/88/74/54/594887454.db2.gz DJXPWTVNGFFPCI-LLPBQKLSSA-N -1 1 347.371 1.615 20 5 EDBDMM O=C([O-])N[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000834149754 595030246 /nfs/dbraw/zinc/03/02/46/595030246.db2.gz HRKJPPCIKISUOH-VIFPVBQESA-N -1 1 347.324 1.058 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC3(CCC3)CO2)s1 ZINC000885638922 595695434 /nfs/dbraw/zinc/69/54/34/595695434.db2.gz YASCMZVWCBUORC-VIFPVBQESA-N -1 1 332.403 1.894 20 5 EDBDMM CC(C)(C)[S@@](=O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000116902611 596169046 /nfs/dbraw/zinc/16/90/46/596169046.db2.gz IOKLDQQTWWPTJQ-LJQANCHMSA-N -1 1 340.448 1.482 20 5 EDBDMM C[C@H](CC[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])[S@](C)=O ZINC000124019459 596864922 /nfs/dbraw/zinc/86/49/22/596864922.db2.gz OTVKJJZMWMXJDV-ZPWHCFADSA-N -1 1 338.382 1.169 20 5 EDBDMM Cc1ccn(Cc2cccc([N+](=O)[O-])c2C)c(=O)c1-c1nn[n-]n1 ZINC000822373998 607349572 /nfs/dbraw/zinc/34/95/72/607349572.db2.gz HPUYFQGGQPCPNK-UHFFFAOYSA-N -1 1 326.316 1.602 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CC1(O)CCCC1 ZINC000178567298 232260673 /nfs/dbraw/zinc/26/06/73/232260673.db2.gz KWVPFFVGBXXIEN-UHFFFAOYSA-N -1 1 334.781 1.832 20 5 EDBDMM Cc1noc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000447869046 305287705 /nfs/dbraw/zinc/28/77/05/305287705.db2.gz OQJJFLJFDRWOII-UHFFFAOYSA-N -1 1 326.334 1.382 20 5 EDBDMM CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C2 ZINC000112725529 220389068 /nfs/dbraw/zinc/38/90/68/220389068.db2.gz CVWMTPXAPCEFGE-UHFFFAOYSA-N -1 1 345.359 1.751 20 5 EDBDMM O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)[N-]CCCn1ccnc1 ZINC000119478089 221329675 /nfs/dbraw/zinc/32/96/75/221329675.db2.gz TWMWULGBMAQZTJ-UHFFFAOYSA-N -1 1 344.780 1.813 20 5 EDBDMM CCO[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000571375119 306563605 /nfs/dbraw/zinc/56/36/05/306563605.db2.gz IWNIKIHDWOMDDX-GHMZBOCLSA-N -1 1 329.378 1.616 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]3OCC[C@@H]32)c([N+](=O)[O-])n1 ZINC000331521236 141042485 /nfs/dbraw/zinc/04/24/85/141042485.db2.gz KIYRRMJRJNQWAJ-GMTAPVOTSA-N -1 1 344.393 1.047 20 5 EDBDMM CO[C@@H]1C[C@H](c2nnc[nH]2)N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)C1 ZINC000345467937 143094455 /nfs/dbraw/zinc/09/44/55/143094455.db2.gz IJBYXPRYKYOXCJ-MWLCHTKSSA-N -1 1 333.304 1.021 20 5 EDBDMM COC(=O)Cc1nc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000345607150 143111347 /nfs/dbraw/zinc/11/13/47/143111347.db2.gz MEOXGVHDPNRVOW-UHFFFAOYSA-N -1 1 339.695 1.334 20 5 EDBDMM CS(=O)(=O)c1ccc(C(=O)[N-]c2cc(F)cc([N+](=O)[O-])c2)o1 ZINC000347956048 143383410 /nfs/dbraw/zinc/38/34/10/143383410.db2.gz KZQWYPUKKOVLPR-UHFFFAOYSA-N -1 1 328.277 1.983 20 5 EDBDMM CCOC(=O)c1nc(CC)oc1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000355726990 150376280 /nfs/dbraw/zinc/37/62/80/150376280.db2.gz JAJJRECSENNNTK-UHFFFAOYSA-N -1 1 337.292 1.308 20 5 EDBDMM O=C(N[C@@H](c1nnc[nH]1)c1ccccc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000357468772 151040579 /nfs/dbraw/zinc/04/05/79/151040579.db2.gz OCIWLXWIVHUPCZ-CQSZACIVSA-N -1 1 339.311 1.938 20 5 EDBDMM CC(=O)NCC[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000360425119 152035612 /nfs/dbraw/zinc/03/56/12/152035612.db2.gz NYUGQDGNSREPSY-NSHDSACASA-N -1 1 336.348 1.074 20 5 EDBDMM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-] ZINC000364804756 153338938 /nfs/dbraw/zinc/33/89/38/153338938.db2.gz RCVBTRYOJKJTHB-CYBMUJFWSA-N -1 1 346.347 1.445 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](O)c2ccccc2C1 ZINC000368840386 154750283 /nfs/dbraw/zinc/75/02/83/154750283.db2.gz DALXDCGMAOOHSY-CQSZACIVSA-N -1 1 329.312 1.775 20 5 EDBDMM O=C(CNC(=O)c1ncccc1[O-])Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000352177794 162031955 /nfs/dbraw/zinc/03/19/55/162031955.db2.gz GEGMNVUXHGKOFU-UHFFFAOYSA-N -1 1 334.263 1.203 20 5 EDBDMM O=C(NC[C@@H]1OCCc2ccccc21)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000364231410 162321441 /nfs/dbraw/zinc/32/14/41/162321441.db2.gz VUZHBAQUPRHOEF-AWEZNQCLSA-N -1 1 329.312 1.739 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H](CO)c2ccccc2)s1 ZINC000158465127 225021402 /nfs/dbraw/zinc/02/14/02/225021402.db2.gz OVMONLDFZRKMSE-JTQLQIEISA-N -1 1 328.371 1.668 20 5 EDBDMM COC(=O)[C@]12CN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C[C@H]1CCCC2 ZINC000288034556 288386836 /nfs/dbraw/zinc/38/68/36/288386836.db2.gz CYLFACGDHNDPPA-QLJPJBMISA-N -1 1 349.343 1.501 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000291304426 289034780 /nfs/dbraw/zinc/03/47/80/289034780.db2.gz SQRKLYKEFGAMQZ-QGZVFWFLSA-N -1 1 343.339 1.472 20 5 EDBDMM Cn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3cccs3)nn2C)n1 ZINC000448402175 447317174 /nfs/dbraw/zinc/31/71/74/447317174.db2.gz AWXCAVFTZNCRMP-UHFFFAOYSA-N -1 1 333.333 1.438 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cc3ccccc3[nH]2)c([N+](=O)[O-])n1 ZINC000435803476 305147461 /nfs/dbraw/zinc/14/74/61/305147461.db2.gz GQCYSNANKOJCLK-UHFFFAOYSA-N -1 1 349.372 1.771 20 5 EDBDMM Cc1nn(C)c(Oc2ccc([N-]S(C)(=O)=O)nc2)c1[N+](=O)[O-] ZINC000439133302 305194417 /nfs/dbraw/zinc/19/44/17/305194417.db2.gz ZOOOZXYWNYRCAZ-UHFFFAOYSA-N -1 1 327.322 1.196 20 5 EDBDMM COc1ccc(S(=O)(=O)[N-]c2[nH]nc(C)c2C)cc1[N+](=O)[O-] ZINC000160480709 441887249 /nfs/dbraw/zinc/88/72/49/441887249.db2.gz SXNAGGFQTKMJIR-UHFFFAOYSA-N -1 1 326.334 1.744 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-][C@@H]2Cc3ccccc3[C@@H]2O)s1 ZINC000178715429 442461581 /nfs/dbraw/zinc/46/15/81/442461581.db2.gz PIJKEOAPXUYMDZ-MFKMUULPSA-N -1 1 340.382 1.593 20 5 EDBDMM O=C(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])NCC1CC1 ZINC000179918332 442519222 /nfs/dbraw/zinc/51/92/22/442519222.db2.gz IKINSIUZTRBRAI-UHFFFAOYSA-N -1 1 347.780 1.053 20 5 EDBDMM O=C(N[C@@H]1CCCC[C@H]1n1cccn1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000187160394 442657789 /nfs/dbraw/zinc/65/77/89/442657789.db2.gz NZTWZPFVVAABJT-VXGBXAGGSA-N -1 1 331.332 1.806 20 5 EDBDMM Cn1c(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)nc2ccccc21 ZINC000187561965 442681308 /nfs/dbraw/zinc/68/13/08/442681308.db2.gz HGMVVPHYBZNSDT-UHFFFAOYSA-N -1 1 327.300 1.512 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1O ZINC000188124847 442714556 /nfs/dbraw/zinc/71/45/56/442714556.db2.gz UARRFEBPERDNIQ-ZJUUUORDSA-N -1 1 334.781 1.686 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000194021047 442830882 /nfs/dbraw/zinc/83/08/82/442830882.db2.gz IRDUTLSEJNUGRX-QGZVFWFLSA-N -1 1 341.323 1.967 20 5 EDBDMM Cc1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000179372845 318457393 /nfs/dbraw/zinc/45/73/93/318457393.db2.gz GHYYHYQJKWMFBQ-UHFFFAOYSA-N -1 1 335.341 1.803 20 5 EDBDMM C/C=C/C[C@H](CO)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185271335 443173786 /nfs/dbraw/zinc/17/37/86/443173786.db2.gz GDVHOXZXHYXQKK-GKQMSVHHSA-N -1 1 334.781 1.854 20 5 EDBDMM C[C@@H]1NC(=O)CC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000282449209 443342101 /nfs/dbraw/zinc/34/21/01/443342101.db2.gz HDRAHUDPPHLIKM-CBAPKCEASA-N -1 1 347.780 1.194 20 5 EDBDMM CCOC(=O)[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000273140593 443548094 /nfs/dbraw/zinc/54/80/94/443548094.db2.gz VOGRZLIJPNIMRS-DTWKUNHWSA-N -1 1 348.352 1.600 20 5 EDBDMM CCC[C@H](NC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)c1nn[n-]n1 ZINC000272358104 443601854 /nfs/dbraw/zinc/60/18/54/443601854.db2.gz RWGYSEKXHIZOJY-QMMMGPOBSA-N -1 1 334.292 1.108 20 5 EDBDMM CCO[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)[C@H]1n1cccn1 ZINC000452160576 320244952 /nfs/dbraw/zinc/24/49/52/320244952.db2.gz CWPSEFIJUOJDDD-YNEHKIRRSA-N -1 1 347.331 1.040 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000281258955 443862386 /nfs/dbraw/zinc/86/23/86/443862386.db2.gz DEDSIKAFKXFGEM-OUCADQQQSA-N -1 1 335.360 1.851 20 5 EDBDMM CCC[C@@]1([N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCOC1 ZINC000285468355 443996275 /nfs/dbraw/zinc/99/62/75/443996275.db2.gz ZXRXYDBJQZHGTO-CYBMUJFWSA-N -1 1 332.353 1.971 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H]1Cc2ccccc2O1 ZINC000578705797 321815492 /nfs/dbraw/zinc/81/54/92/321815492.db2.gz NKZGPCSWUBWVMO-NSHDSACASA-N -1 1 335.341 1.272 20 5 EDBDMM C[C@H](CN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nn[nH]n1 ZINC000581945818 322236973 /nfs/dbraw/zinc/23/69/73/322236973.db2.gz OZLRVDWTPRCXJP-ZCFIWIBFSA-N -1 1 340.727 1.343 20 5 EDBDMM Cc1cccc(C(=O)NCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)c1 ZINC000342196957 444559054 /nfs/dbraw/zinc/55/90/54/444559054.db2.gz YRDNCANMCMGCAU-UHFFFAOYSA-N -1 1 344.327 1.164 20 5 EDBDMM CCc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1[N+](=O)[O-] ZINC000349856372 445701070 /nfs/dbraw/zinc/70/10/70/445701070.db2.gz RZAAIOKUDZPSLR-UHFFFAOYSA-N -1 1 330.348 1.870 20 5 EDBDMM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F ZINC000349969598 445738077 /nfs/dbraw/zinc/73/80/77/445738077.db2.gz ILELLDGWAAROMG-VIFPVBQESA-N -1 1 328.268 1.186 20 5 EDBDMM Cc1nc([C@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)no1 ZINC000373096612 446024731 /nfs/dbraw/zinc/02/47/31/446024731.db2.gz DIWCJOWPTCQSQK-VIFPVBQESA-N -1 1 333.304 1.407 20 5 EDBDMM Cc1ncc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])o1 ZINC000416545084 447641848 /nfs/dbraw/zinc/64/18/48/447641848.db2.gz JBIUBFAHPSMQSK-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM CCOC(=O)c1ccc(NC(=O)c2nn(CC)cc2[N+](=O)[O-])c([O-])c1 ZINC000427685639 447634613 /nfs/dbraw/zinc/63/46/13/447634613.db2.gz BCCCKAJWTXCOCK-UHFFFAOYSA-N -1 1 348.315 1.946 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000532711560 448300319 /nfs/dbraw/zinc/30/03/19/448300319.db2.gz GOIYRQRVNGWOBR-WFASDCNBSA-N -1 1 347.371 1.887 20 5 EDBDMM O=C(NCc1n[nH]c([C@@H]2CCCO2)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000594387110 449486120 /nfs/dbraw/zinc/48/61/20/449486120.db2.gz SZHDIWFVKRIYAI-NSHDSACASA-N -1 1 333.304 1.200 20 5 EDBDMM Cc1ccnc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 ZINC000598736163 449570958 /nfs/dbraw/zinc/57/09/58/449570958.db2.gz UUNAGKGGKQWBIK-UHFFFAOYSA-N -1 1 336.373 1.789 20 5 EDBDMM Cc1sc(S(=O)(=O)[N-]Cc2nccc(C)n2)cc1[N+](=O)[O-] ZINC000598736193 449571206 /nfs/dbraw/zinc/57/12/06/449571206.db2.gz VOEGNLWYEQNCPQ-UHFFFAOYSA-N -1 1 328.375 1.542 20 5 EDBDMM Cc1ccnc(C[N-]S(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])n1 ZINC000598736635 449571335 /nfs/dbraw/zinc/57/13/35/449571335.db2.gz ZIXXNGQQEZEWCE-UHFFFAOYSA-N -1 1 336.373 1.789 20 5 EDBDMM C[C@@H](Cc1cnc[nH]1)C(=O)N[C@](C)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000600871608 449579183 /nfs/dbraw/zinc/57/91/83/449579183.db2.gz ARQOSOYYNPDYJS-QFYYESIMSA-N -1 1 346.343 1.613 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)c1 ZINC000600873888 449580858 /nfs/dbraw/zinc/58/08/58/449580858.db2.gz IBMAQXXEESBOIV-UHFFFAOYSA-N -1 1 335.360 1.524 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCOC(C2CC2)(C2CC2)C1 ZINC000598775739 449595965 /nfs/dbraw/zinc/59/59/65/449595965.db2.gz WTSPXLPDSVFTHX-UHFFFAOYSA-N -1 1 333.344 1.727 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@H](OC)C2CCCC2)c([N+](=O)[O-])n1 ZINC000595365985 450078854 /nfs/dbraw/zinc/07/88/54/450078854.db2.gz QHHRFQQKENBXCF-NSHDSACASA-N -1 1 346.409 1.295 20 5 EDBDMM CC1CCC(O)(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CC1 ZINC000595410049 450121906 /nfs/dbraw/zinc/12/19/06/450121906.db2.gz JJKOORGIRXXSES-UHFFFAOYSA-N -1 1 329.378 1.209 20 5 EDBDMM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000610891558 450370421 /nfs/dbraw/zinc/37/04/21/450370421.db2.gz QSBMUZAYAVUYRG-UHFFFAOYSA-N -1 1 342.267 1.896 20 5 EDBDMM COC[C@@](C)(CC(=O)[O-])NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262134659 536796834 /nfs/dbraw/zinc/79/68/34/536796834.db2.gz KCYAQUMYXKQCPM-CQSZACIVSA-N -1 1 336.304 1.081 20 5 EDBDMM COC(=O)Cc1nc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000736110538 578954379 /nfs/dbraw/zinc/95/43/79/578954379.db2.gz DFNNZXAVUFSIMF-UHFFFAOYSA-N -1 1 339.695 1.334 20 5 EDBDMM C[C@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])N1CCN(C)CC1 ZINC000736607053 579006460 /nfs/dbraw/zinc/00/64/60/579006460.db2.gz OEBQNGUDUTUTBC-DIECRNLCSA-N -1 1 348.403 1.740 20 5 EDBDMM COCCN1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000737814847 579130881 /nfs/dbraw/zinc/13/08/81/579130881.db2.gz LDFPMDVAHKAANX-BPJJOFIESA-N -1 1 349.387 1.850 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]C[C@@H](O)c1cccc(F)c1 ZINC000751264755 579799666 /nfs/dbraw/zinc/79/96/66/579799666.db2.gz XLTROUJYOARNOA-LLVKDONJSA-N -1 1 341.320 1.141 20 5 EDBDMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2ccccc2[N+](=O)[O-])co1 ZINC000756405636 579949479 /nfs/dbraw/zinc/94/94/79/579949479.db2.gz QWWXVXYBWSVBBA-UHFFFAOYSA-N -1 1 340.313 1.453 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000770704400 580268594 /nfs/dbraw/zinc/26/85/94/580268594.db2.gz GQWOOOVZRDYVHB-SDBXPKJASA-N -1 1 335.291 1.686 20 5 EDBDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(C)cc([N+](=O)[O-])c2N)n1 ZINC000774291067 580358755 /nfs/dbraw/zinc/35/87/55/580358755.db2.gz CKVVQJDFMBJDPQ-UHFFFAOYSA-N -1 1 333.304 1.638 20 5 EDBDMM COc1ccc([C@H](O)CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000776330661 580414956 /nfs/dbraw/zinc/41/49/56/580414956.db2.gz NPAJPUAWDXUKSZ-CYBMUJFWSA-N -1 1 333.300 1.167 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1ncccc1O ZINC000795246198 580916677 /nfs/dbraw/zinc/91/66/77/580916677.db2.gz MQOXCIHVZGHMAI-UHFFFAOYSA-N -1 1 327.293 1.313 20 5 EDBDMM O=C(N[C@@H](CCO)Cc1ccccc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000799811921 581037302 /nfs/dbraw/zinc/03/73/02/581037302.db2.gz NFZHATKPMZZWND-ZDUSSCGKSA-N -1 1 331.328 1.419 20 5 EDBDMM O=C(N[C@@H](CCO)Cc1ccccc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000799854200 581038188 /nfs/dbraw/zinc/03/81/88/581038188.db2.gz RPSAOMYCXOLHSM-LBPRGKRZSA-N -1 1 331.328 1.419 20 5 EDBDMM Cn1[n-]cc2c(=NC(=O)CCOc3ccccc3[N+](=O)[O-])ccnc1-2 ZINC000801702750 581082845 /nfs/dbraw/zinc/08/28/45/581082845.db2.gz UUFFYWVGZXFZEW-UHFFFAOYSA-N -1 1 341.327 1.658 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@@H]1COC[C@H]1C1CC1 ZINC000908415590 592487532 /nfs/dbraw/zinc/48/75/32/592487532.db2.gz SKYJBULYUQDLTJ-GXSJLCMTSA-N -1 1 330.337 1.437 20 5 EDBDMM C[C@H](CCCO)[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815025705 593610256 /nfs/dbraw/zinc/61/02/56/593610256.db2.gz JLTQOXRODROCQX-SSDOTTSWSA-N -1 1 340.760 1.827 20 5 EDBDMM CC(C)CO[C@H]1CCN(c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1 ZINC000820102538 593791327 /nfs/dbraw/zinc/79/13/27/593791327.db2.gz APEHCMYFIWRJAM-JTQLQIEISA-N -1 1 333.352 1.421 20 5 EDBDMM CC(C)CO[C@H]1CCN(c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1 ZINC000820102538 593791328 /nfs/dbraw/zinc/79/13/28/593791328.db2.gz APEHCMYFIWRJAM-JTQLQIEISA-N -1 1 333.352 1.421 20 5 EDBDMM O=C(NCCNc1ccc(-c2nn[n-]n2)c([N+](=O)[O-])c1)c1ccco1 ZINC000823202584 594169260 /nfs/dbraw/zinc/16/92/60/594169260.db2.gz XOQVTZPTKPQOJC-UHFFFAOYSA-N -1 1 343.303 1.210 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NC[C@@H](O)c1ccc(F)cc1 ZINC000823620275 594222025 /nfs/dbraw/zinc/22/20/25/594222025.db2.gz JIXLBBJUWLFBFH-LLVKDONJSA-N -1 1 345.294 1.455 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NC[C@@H](O)c1ccc(F)cc1 ZINC000823620275 594222026 /nfs/dbraw/zinc/22/20/26/594222026.db2.gz JIXLBBJUWLFBFH-LLVKDONJSA-N -1 1 345.294 1.455 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N[C@@H]1CCOC2(CCC2)C1 ZINC000823621182 594222088 /nfs/dbraw/zinc/22/20/88/594222088.db2.gz YIZRLDUJPYGZDH-SECBINFHSA-N -1 1 331.336 1.684 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N[C@@H]1CCOC2(CCC2)C1 ZINC000823621182 594222089 /nfs/dbraw/zinc/22/20/89/594222089.db2.gz YIZRLDUJPYGZDH-SECBINFHSA-N -1 1 331.336 1.684 20 5 EDBDMM C[C@]1(C(=O)[O-])CCN(Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000828028901 594325633 /nfs/dbraw/zinc/32/56/33/594325633.db2.gz HPSBBNFTWHXJKM-HNNXBMFYSA-N -1 1 331.332 1.607 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCOc2cccnc2)cc1-c1nnn[n-]1 ZINC000826499051 594502916 /nfs/dbraw/zinc/50/29/16/594502916.db2.gz TXWIGUJLRXGINU-UHFFFAOYSA-N -1 1 327.304 1.661 20 5 EDBDMM O=[N+]([O-])c1ccc(NCCOc2cccnc2)cc1-c1nn[n-]n1 ZINC000826499051 594502918 /nfs/dbraw/zinc/50/29/18/594502918.db2.gz TXWIGUJLRXGINU-UHFFFAOYSA-N -1 1 327.304 1.661 20 5 EDBDMM O=C([O-])N1CCN(CCn2ccc([N+](=O)[O-])n2)C2(CCCCC2)C1 ZINC000832036135 594721002 /nfs/dbraw/zinc/72/10/02/594721002.db2.gz HCGZPNISVBAIJE-UHFFFAOYSA-N -1 1 337.380 1.790 20 5 EDBDMM CC(=O)c1ccc(N2CCN(C(C)(C)C(=O)[O-])CC2)c([N+](=O)[O-])c1 ZINC000844217964 595304941 /nfs/dbraw/zinc/30/49/41/595304941.db2.gz IAFDXVYKISFWDL-UHFFFAOYSA-N -1 1 335.360 1.783 20 5 EDBDMM O=C([N-]CC(F)(F)CO)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848588036 595410687 /nfs/dbraw/zinc/41/06/87/595410687.db2.gz NHVAFYHDGGSHOA-UHFFFAOYSA-N -1 1 326.202 1.310 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1C[C@@H](O)C12CCC2 ZINC000849471547 595544393 /nfs/dbraw/zinc/54/43/93/595544393.db2.gz RUWQWAWZTQSAID-VXGBXAGGSA-N -1 1 346.792 1.830 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-][C@H]1CO[C@H](C2CC2)C1 ZINC000859367740 596068997 /nfs/dbraw/zinc/06/89/97/596068997.db2.gz LQMAHRQFZLLQCP-KOLCDFICSA-N -1 1 330.337 1.580 20 5 EDBDMM O=[N+]([O-])c1ccccc1NCCNc1cccc(-c2nnn[n-]2)n1 ZINC000738369350 599398436 /nfs/dbraw/zinc/39/84/36/599398436.db2.gz LNYKGYKJPDJVSB-UHFFFAOYSA-N -1 1 326.320 1.694 20 5 EDBDMM O=[N+]([O-])c1ccccc1NCCNc1cccc(-c2nn[n-]n2)n1 ZINC000738369350 599398438 /nfs/dbraw/zinc/39/84/38/599398438.db2.gz LNYKGYKJPDJVSB-UHFFFAOYSA-N -1 1 326.320 1.694 20 5 EDBDMM CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)CC1 ZINC000825499515 607447800 /nfs/dbraw/zinc/44/78/00/607447800.db2.gz NWZXQCIEXKPSFC-UHFFFAOYSA-N -1 1 346.347 1.554 20 5 EDBDMM CCOC(=O)C1CCN(c2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)CC1 ZINC000825499515 607447801 /nfs/dbraw/zinc/44/78/01/607447801.db2.gz NWZXQCIEXKPSFC-UHFFFAOYSA-N -1 1 346.347 1.554 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]Cc1nc(C2CC2)no1 ZINC000918195388 697138807 /nfs/dbraw/zinc/13/88/07/697138807.db2.gz QHCCDRFLLQZMPB-UHFFFAOYSA-N -1 1 342.308 1.473 20 5 EDBDMM CN1CC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000921413250 697597812 /nfs/dbraw/zinc/59/78/12/697597812.db2.gz HMKWVSXRRKZXGA-ZETCQYMHSA-N -1 1 337.760 1.370 20 5 EDBDMM Cn1cnc(S(=O)(=O)[N-]Cc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000037668395 213161942 /nfs/dbraw/zinc/16/19/42/213161942.db2.gz WVTHDHAJDSASKU-UHFFFAOYSA-N -1 1 330.753 1.460 20 5 EDBDMM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000262963942 139315693 /nfs/dbraw/zinc/31/56/93/139315693.db2.gz MEMDLQGDBALRCR-MRVPVSSYSA-N -1 1 346.221 1.607 20 5 EDBDMM C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@H](C)C[C@H](C(=O)[O-])C1 ZINC000263336674 139336718 /nfs/dbraw/zinc/33/67/18/139336718.db2.gz MOWQZFHAGVFHLZ-WOPDTQHZSA-N -1 1 335.360 1.964 20 5 EDBDMM O=C([O-])[C@H]1CN(C(=O)[C@H]2CC2[N+](=O)[O-])C[C@@H]1c1ccc(F)cc1F ZINC000367779229 154267508 /nfs/dbraw/zinc/26/75/08/154267508.db2.gz MVRMDSSWWLDUET-NOHGZBONSA-N -1 1 340.282 1.257 20 5 EDBDMM C[C@@](O)(C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000273692249 268072457 /nfs/dbraw/zinc/07/24/57/268072457.db2.gz LZJFRGSVHDTAQU-SNVBAGLBSA-N -1 1 342.295 1.328 20 5 EDBDMM CCOC(=O)N[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274870274 268227008 /nfs/dbraw/zinc/22/70/08/268227008.db2.gz DQYFKNGRMVRGAI-JTQLQIEISA-N -1 1 338.320 1.046 20 5 EDBDMM CCCC(=O)N[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274934042 268242487 /nfs/dbraw/zinc/24/24/87/268242487.db2.gz DVHRBJAPZRPJAD-NSHDSACASA-N -1 1 336.348 1.216 20 5 EDBDMM CCCC(=O)N[C@@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000274934041 268242854 /nfs/dbraw/zinc/24/28/54/268242854.db2.gz DVHRBJAPZRPJAD-LLVKDONJSA-N -1 1 336.348 1.216 20 5 EDBDMM C[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000277685762 273216747 /nfs/dbraw/zinc/21/67/47/273216747.db2.gz GZRPRWXJMBYHMG-SCZZXKLOSA-N -1 1 334.781 1.952 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC(COc2ccccc2)C1 ZINC000288625034 288530232 /nfs/dbraw/zinc/53/02/32/288530232.db2.gz QIDKSZIKZRBCCZ-UHFFFAOYSA-N -1 1 329.312 1.846 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC2(CCC(O)CC2)CC1 ZINC000295311553 303203040 /nfs/dbraw/zinc/20/30/40/303203040.db2.gz FURGRKLMAGJIJR-UHFFFAOYSA-N -1 1 335.360 1.853 20 5 EDBDMM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C1=O ZINC000298217586 303506721 /nfs/dbraw/zinc/50/67/21/303506721.db2.gz PHADBHLIDATOHP-CYBMUJFWSA-N -1 1 340.723 1.614 20 5 EDBDMM CSC[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000443236849 305237525 /nfs/dbraw/zinc/23/75/25/305237525.db2.gz ZBMXQYMCNABBCC-ZETCQYMHSA-N -1 1 326.421 1.049 20 5 EDBDMM COc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c(OC)c1 ZINC000445181051 305257572 /nfs/dbraw/zinc/25/75/72/305257572.db2.gz GSWHPPGWPUCJKO-UHFFFAOYSA-N -1 1 347.327 1.685 20 5 EDBDMM O=C(N[C@H]1CCN(c2ccccc2F)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000452129219 305384488 /nfs/dbraw/zinc/38/44/88/305384488.db2.gz WUJAILAKSJDEOL-JTQLQIEISA-N -1 1 346.318 1.843 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCOC[C@@H]2CCCO2)s1 ZINC000523734156 305812490 /nfs/dbraw/zinc/81/24/90/305812490.db2.gz GAPGXCPPPDHNDG-VIFPVBQESA-N -1 1 336.391 1.130 20 5 EDBDMM O=C([O-])c1cc(NS(=O)(=O)[C@@H]2CCCOC2)cc([N+](=O)[O-])c1 ZINC000547917161 306114765 /nfs/dbraw/zinc/11/47/65/306114765.db2.gz AGGKJJFHQIIZPS-LLVKDONJSA-N -1 1 330.318 1.214 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])no1 ZINC000063186604 441317928 /nfs/dbraw/zinc/31/79/28/441317928.db2.gz OJRBNOLYMNFXRX-UHFFFAOYSA-N -1 1 325.346 1.987 20 5 EDBDMM C[C@@H]1CN(C2CCN(C(=O)c3ccc([N+](=O)[O-])c([O-])c3)CC2)CCO1 ZINC000068095655 441728516 /nfs/dbraw/zinc/72/85/16/441728516.db2.gz XYVIIVLJLKPOIQ-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CCc1nnc(C2CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)[nH]1 ZINC000191785470 442510920 /nfs/dbraw/zinc/51/09/20/442510920.db2.gz DBXIAPJZIQEREW-UHFFFAOYSA-N -1 1 346.347 1.396 20 5 EDBDMM CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1 ZINC000186812797 442616491 /nfs/dbraw/zinc/61/64/91/442616491.db2.gz LVXNUPUWLIMFNT-OAHLLOKOSA-N -1 1 342.355 1.824 20 5 EDBDMM C[C@@H]1CN(CCCNC(=O)c2ccc([N+](=O)[O-])cc2[O-])C[C@H](C)O1 ZINC000184619755 443050291 /nfs/dbraw/zinc/05/02/91/443050291.db2.gz DANXJEVNJVNXSX-TXEJJXNPSA-N -1 1 337.376 1.530 20 5 EDBDMM Cn1ccnc1C[C@H]1CCCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C1 ZINC000185864541 443271081 /nfs/dbraw/zinc/27/10/81/443271081.db2.gz WXMRQZHCRXYTBH-LLVKDONJSA-N -1 1 345.359 1.524 20 5 EDBDMM CN(C(=O)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)C1CCCCC1 ZINC000267248190 443392953 /nfs/dbraw/zinc/39/29/53/443392953.db2.gz NQYASHSXECFDMS-UHFFFAOYSA-N -1 1 336.348 1.216 20 5 EDBDMM C[C@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000441536351 320098793 /nfs/dbraw/zinc/09/87/93/320098793.db2.gz ADZZXSDYTSNJBI-BDAKNGLRSA-N -1 1 336.391 1.129 20 5 EDBDMM CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000298274783 443735894 /nfs/dbraw/zinc/73/58/94/443735894.db2.gz HQTMZWNWGQXVDR-UHFFFAOYSA-N -1 1 340.336 1.292 20 5 EDBDMM Cc1cc(OCC(=O)N(C)C[C@H](C)c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC000280939271 443779555 /nfs/dbraw/zinc/77/95/55/443779555.db2.gz YZHYKFSTNZEJCX-JTQLQIEISA-N -1 1 334.336 1.057 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC(COc2ccccc2)C1 ZINC000288548602 443915854 /nfs/dbraw/zinc/91/58/54/443915854.db2.gz JSSBPVOARGBCDA-UHFFFAOYSA-N -1 1 329.312 1.846 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)c1ccsc1 ZINC000546734020 320817465 /nfs/dbraw/zinc/81/74/65/320817465.db2.gz GZADSNBVQIACJG-VIFPVBQESA-N -1 1 329.359 1.063 20 5 EDBDMM O=c1nc([C@@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)[nH][n-]1 ZINC000289541425 444167937 /nfs/dbraw/zinc/16/79/37/444167937.db2.gz WROLOLUQYKZIIU-LLVKDONJSA-N -1 1 333.348 1.265 20 5 EDBDMM Cc1c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000314189545 444298903 /nfs/dbraw/zinc/29/89/03/444298903.db2.gz GCYRUFILXLEAKZ-UHFFFAOYSA-N -1 1 325.302 1.730 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])n1 ZINC000331244200 444456052 /nfs/dbraw/zinc/45/60/52/444456052.db2.gz ZIVUOWDZDDANOA-GARJFASQSA-N -1 1 330.410 1.914 20 5 EDBDMM CC[C@H](C)C[C@@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)C(=O)OC ZINC000579246070 321908168 /nfs/dbraw/zinc/90/81/68/321908168.db2.gz GZAKAMAWVLAGDD-WCBMZHEXSA-N -1 1 325.321 1.403 20 5 EDBDMM CC(C)CN1CCO[C@@H](CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000581550877 322191707 /nfs/dbraw/zinc/19/17/07/322191707.db2.gz RZWQULFUETVWGB-LBPRGKRZSA-N -1 1 338.364 1.457 20 5 EDBDMM CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000344018346 444730800 /nfs/dbraw/zinc/73/08/00/444730800.db2.gz XLNVXAOMLWNVMB-JOYOIKCWSA-N -1 1 336.348 1.119 20 5 EDBDMM CC(C)CN1CCO[C@H](CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000344202275 444836227 /nfs/dbraw/zinc/83/62/27/444836227.db2.gz NYOULNPKOAZQTP-CYBMUJFWSA-N -1 1 337.376 1.387 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCS2)c([N+](=O)[O-])n1 ZINC000339041398 445002215 /nfs/dbraw/zinc/00/22/15/445002215.db2.gz ITOAHGNCJOUEFJ-LLVKDONJSA-N -1 1 334.423 1.375 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CCCc3occc32)c([N+](=O)[O-])n1 ZINC000339043484 445004902 /nfs/dbraw/zinc/00/49/02/445004902.db2.gz LMRBFIUZWDYTLE-SNVBAGLBSA-N -1 1 340.361 1.760 20 5 EDBDMM O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000337562683 445138628 /nfs/dbraw/zinc/13/86/28/445138628.db2.gz OBJXBFLZMWHWTD-GXTWGEPZSA-N -1 1 344.327 1.741 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2nncn2C2CC2)s1 ZINC000352087839 445485366 /nfs/dbraw/zinc/48/53/66/445485366.db2.gz RXKJHSPPBMYAKK-UHFFFAOYSA-N -1 1 329.363 1.061 20 5 EDBDMM C[C@@H]1CN(C2CC2)C[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000360129063 445583337 /nfs/dbraw/zinc/58/33/37/445583337.db2.gz BTUIFCJJTRXZCO-PSASIEDQSA-N -1 1 331.419 1.417 20 5 EDBDMM CN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1=O ZINC000360452755 445709355 /nfs/dbraw/zinc/70/93/55/445709355.db2.gz XCBUGQOKOBSMCD-SECBINFHSA-N -1 1 347.780 1.147 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000373091285 446021500 /nfs/dbraw/zinc/02/15/00/446021500.db2.gz BHQIGHLLOLRMDW-LBPRGKRZSA-N -1 1 348.359 1.313 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000365782997 446342123 /nfs/dbraw/zinc/34/21/23/446342123.db2.gz YMQAVZAFRPWONM-MRXNPFEDSA-N -1 1 347.302 1.568 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375593885 446912981 /nfs/dbraw/zinc/91/29/81/446912981.db2.gz XVWHITIPMOOZRE-VIFPVBQESA-N -1 1 345.315 1.586 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)C2(OC)CCC2)c([N+](=O)[O-])n1 ZINC000416613800 447659242 /nfs/dbraw/zinc/65/92/42/447659242.db2.gz GPXIXTUSNBBBIO-SECBINFHSA-N -1 1 332.382 1.047 20 5 EDBDMM COCCN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)CC(=O)[O-] ZINC000575432002 447861044 /nfs/dbraw/zinc/86/10/44/447861044.db2.gz QBXJMIBVNIUUDT-UHFFFAOYSA-N -1 1 349.343 1.825 20 5 EDBDMM C[C@@H]1CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)C[C@@]1(C)C(=O)[O-] ZINC000592953243 449075442 /nfs/dbraw/zinc/07/54/42/449075442.db2.gz ORUMAWMDIHYRRY-ANRSDYALSA-N -1 1 332.316 1.654 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000593744274 449175113 /nfs/dbraw/zinc/17/51/13/449175113.db2.gz OUPCNIMBMJWFOZ-KGLIPLIRSA-N -1 1 338.385 1.999 20 5 EDBDMM Cc1sc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1[N+](=O)[O-] ZINC000604286120 449200822 /nfs/dbraw/zinc/20/08/22/449200822.db2.gz MOZXQYQMFHYPSF-GFCCVEGCSA-N -1 1 344.356 1.997 20 5 EDBDMM C[C@]1(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000600173362 449225906 /nfs/dbraw/zinc/22/59/06/449225906.db2.gz NFGPXHVUNZKIAJ-INIZCTEOSA-N -1 1 345.311 1.655 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccn2)c([N+](=O)[O-])n1 ZINC000594479586 449543773 /nfs/dbraw/zinc/54/37/73/449543773.db2.gz CRZBONGKKZCWOK-JTQLQIEISA-N -1 1 339.377 1.116 20 5 EDBDMM CC[C@H]([N-]S(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594486148 449550590 /nfs/dbraw/zinc/55/05/90/449550590.db2.gz DJLJFDLABGCLII-QWRGUYRKSA-N -1 1 346.409 1.437 20 5 EDBDMM O=C(N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000594423649 449508366 /nfs/dbraw/zinc/50/83/66/449508366.db2.gz YLXNKNHJBURZQK-PSASIEDQSA-N -1 1 349.265 1.925 20 5 EDBDMM C[C@H]1Cc2ccccc2[C@H]1[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] ZINC000599235586 449820370 /nfs/dbraw/zinc/82/03/70/449820370.db2.gz XOOSQYUGLDYREZ-ZANVPECISA-N -1 1 336.373 1.540 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCN1Cc2ccccc2C1 ZINC000610261803 450174021 /nfs/dbraw/zinc/17/40/21/450174021.db2.gz SABSCIGIETWMMJ-UHFFFAOYSA-N -1 1 348.384 1.284 20 5 EDBDMM CCN1CC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])C1=O ZINC000619797932 450336562 /nfs/dbraw/zinc/33/65/62/450336562.db2.gz ZTWIVZXFQJXBPM-VIFPVBQESA-N -1 1 347.780 1.147 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(C[C@@H]2CCOC2)CC1 ZINC000187734371 534720207 /nfs/dbraw/zinc/72/02/07/534720207.db2.gz IZBGMAINZGRYMU-LBPRGKRZSA-N -1 1 335.360 1.095 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCCN(CC(F)(F)F)CC1 ZINC000186918286 534767485 /nfs/dbraw/zinc/76/74/85/534767485.db2.gz DLTBQCWJYAYKBE-UHFFFAOYSA-N -1 1 348.281 1.406 20 5 EDBDMM CC[S@](=O)CC[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000735081581 578857798 /nfs/dbraw/zinc/85/77/98/578857798.db2.gz SYSYOLPYCRGWMB-IBGZPJMESA-N -1 1 340.810 1.295 20 5 EDBDMM Cc1[nH]nc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1[N+](=O)[O-] ZINC000738249733 579177727 /nfs/dbraw/zinc/17/77/27/579177727.db2.gz ZZRIPUZBLWPEAX-SNVBAGLBSA-N -1 1 346.343 1.989 20 5 EDBDMM CNC(=O)[C@H](Cc1ccccc1)OC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000750813528 579782309 /nfs/dbraw/zinc/78/23/09/579782309.db2.gz NPKKQVBUEMDZBB-HNNXBMFYSA-N -1 1 344.323 1.815 20 5 EDBDMM CCc1nc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)n[nH]1 ZINC000768881693 580223369 /nfs/dbraw/zinc/22/33/69/580223369.db2.gz JCIRNEZXHUUZAX-LURJTMIESA-N -1 1 331.379 1.376 20 5 EDBDMM CCc1nnc([C@H](C)[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)[nH]1 ZINC000768881693 580223370 /nfs/dbraw/zinc/22/33/70/580223370.db2.gz JCIRNEZXHUUZAX-LURJTMIESA-N -1 1 331.379 1.376 20 5 EDBDMM O=C(CCc1cccc([N+](=O)[O-])c1)N1CCSC[C@H]1c1nn[n-]n1 ZINC000773157129 580328751 /nfs/dbraw/zinc/32/87/51/580328751.db2.gz GIAWQTAAYAPLFZ-LBPRGKRZSA-N -1 1 348.388 1.357 20 5 EDBDMM O=C(CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)OCc1ccccc1 ZINC000016495550 591254292 /nfs/dbraw/zinc/25/42/92/591254292.db2.gz CSTCERCMRRQIQB-UHFFFAOYSA-N -1 1 331.284 1.169 20 5 EDBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4nnn[n-]4)nc3)n2)c1 ZINC000738367341 599011173 /nfs/dbraw/zinc/01/11/73/599011173.db2.gz RBKIGJIDUBNZFY-UHFFFAOYSA-N -1 1 336.271 1.887 20 5 EDBDMM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(-c4nn[n-]n4)nc3)n2)c1 ZINC000738367341 599011174 /nfs/dbraw/zinc/01/11/74/599011174.db2.gz RBKIGJIDUBNZFY-UHFFFAOYSA-N -1 1 336.271 1.887 20 5 EDBDMM Cn1nccc1C[N-]S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000814986468 593608778 /nfs/dbraw/zinc/60/87/78/593608778.db2.gz PSAMKQJKEPGYQU-UHFFFAOYSA-N -1 1 348.743 1.599 20 5 EDBDMM CN1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])C1 ZINC000814997191 593609029 /nfs/dbraw/zinc/60/90/29/593609029.db2.gz HGXMHWIVSQEHGF-ZETCQYMHSA-N -1 1 337.760 1.370 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-])c1ccco1 ZINC000820468074 593820848 /nfs/dbraw/zinc/82/08/48/593820848.db2.gz QILOYDPNFQAPBA-CYBMUJFWSA-N -1 1 331.292 1.083 20 5 EDBDMM C[C@@](O)(CNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-])c1ccco1 ZINC000820468074 593820849 /nfs/dbraw/zinc/82/08/49/593820849.db2.gz QILOYDPNFQAPBA-CYBMUJFWSA-N -1 1 331.292 1.083 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2nnn[n-]2)s1 ZINC000821845391 593952984 /nfs/dbraw/zinc/95/29/84/593952984.db2.gz FMEPNLQLDBAOTF-UHFFFAOYSA-N -1 1 347.316 1.492 20 5 EDBDMM COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ncc(-c2nn[n-]n2)s1 ZINC000821845391 593952986 /nfs/dbraw/zinc/95/29/86/593952986.db2.gz FMEPNLQLDBAOTF-UHFFFAOYSA-N -1 1 347.316 1.492 20 5 EDBDMM COc1ccccc1CCNc1nccc(-c2nnn[n-]2)c1[N+](=O)[O-] ZINC000821891263 593961218 /nfs/dbraw/zinc/96/12/18/593961218.db2.gz YWKHSBJJKKXTAE-UHFFFAOYSA-N -1 1 341.331 1.833 20 5 EDBDMM COc1ccccc1CCNc1nccc(-c2nn[n-]n2)c1[N+](=O)[O-] ZINC000821891263 593961219 /nfs/dbraw/zinc/96/12/19/593961219.db2.gz YWKHSBJJKKXTAE-UHFFFAOYSA-N -1 1 341.331 1.833 20 5 EDBDMM Nc1n[nH]c(CCCNc2ccsc2[N+](=O)[O-])c1-c1nnn[n-]1 ZINC000822899788 594119003 /nfs/dbraw/zinc/11/90/03/594119003.db2.gz SOEJPDQIQJFOEK-UHFFFAOYSA-N -1 1 335.353 1.186 20 5 EDBDMM Nc1n[nH]c(CCCNc2ccsc2[N+](=O)[O-])c1-c1nn[n-]n1 ZINC000822899788 594119004 /nfs/dbraw/zinc/11/90/04/594119004.db2.gz SOEJPDQIQJFOEK-UHFFFAOYSA-N -1 1 335.353 1.186 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1ccc2c(c1)OCO2 ZINC000823625590 594222525 /nfs/dbraw/zinc/22/25/25/594222525.db2.gz YRKVLVKLLNSLNV-UHFFFAOYSA-N -1 1 341.287 1.511 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1ccc2c(c1)OCO2 ZINC000823625590 594222526 /nfs/dbraw/zinc/22/25/26/594222526.db2.gz YRKVLVKLLNSLNV-UHFFFAOYSA-N -1 1 341.287 1.511 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCc1cccc(CO)c1 ZINC000823625592 594222600 /nfs/dbraw/zinc/22/26/00/594222600.db2.gz YRTKKMZMQZYRNG-UHFFFAOYSA-N -1 1 327.304 1.274 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCc1cccc(CO)c1 ZINC000823625592 594222601 /nfs/dbraw/zinc/22/26/01/594222601.db2.gz YRTKKMZMQZYRNG-UHFFFAOYSA-N -1 1 327.304 1.274 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1NCCCOCC(F)(F)F ZINC000823624575 594222672 /nfs/dbraw/zinc/22/26/72/594222672.db2.gz DCGKQIDEMCPVTK-UHFFFAOYSA-N -1 1 347.257 1.551 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1NCCCOCC(F)(F)F ZINC000823624575 594222673 /nfs/dbraw/zinc/22/26/73/594222673.db2.gz DCGKQIDEMCPVTK-UHFFFAOYSA-N -1 1 347.257 1.551 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1Sc1n[nH]c(C2CC2)n1 ZINC000823629973 594222878 /nfs/dbraw/zinc/22/28/78/594222878.db2.gz OOOVRIVOYYRNJC-UHFFFAOYSA-N -1 1 331.321 1.317 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1Sc1n[nH]c(C2CC2)n1 ZINC000823629973 594222879 /nfs/dbraw/zinc/22/28/79/594222879.db2.gz OOOVRIVOYYRNJC-UHFFFAOYSA-N -1 1 331.321 1.317 20 5 EDBDMM Cc1n[nH]c(C(=O)N(C)C2CCC(NC(=O)[O-])CC2)c1[N+](=O)[O-] ZINC000829834030 594273179 /nfs/dbraw/zinc/27/31/79/594273179.db2.gz PKBHHQHLSQMXIF-UHFFFAOYSA-N -1 1 325.325 1.277 20 5 EDBDMM Cc1nn(CN2C[C@@H](CNC(=O)[O-])C[C@H]2C)c2ncc([N+](=O)[O-])cc12 ZINC000833921125 594966012 /nfs/dbraw/zinc/96/60/12/594966012.db2.gz GURGIZOCRGFKOW-MWLCHTKSSA-N -1 1 348.363 1.583 20 5 EDBDMM N=C(NOCc1ccc([N+](=O)[O-])cc1F)[C@@H]1COCCN1C(=O)[O-] ZINC000833979698 594980427 /nfs/dbraw/zinc/98/04/27/594980427.db2.gz IXPALZXOMQQCRG-NSHDSACASA-N -1 1 342.283 1.111 20 5 EDBDMM O=C([O-])N(CCNC(=O)c1n[nH]cc1[N+](=O)[O-])C1CCCCCC1 ZINC000834041388 594998487 /nfs/dbraw/zinc/99/84/87/594998487.db2.gz KCOLYTQQSZEFPG-UHFFFAOYSA-N -1 1 339.352 1.751 20 5 EDBDMM O=C([O-])N[C@H](CNC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000834145421 595027634 /nfs/dbraw/zinc/02/76/34/595027634.db2.gz GBVGGIXWBBLXCJ-LLVKDONJSA-N -1 1 333.304 1.247 20 5 EDBDMM Cc1ccc2cccnc2c1S(=O)(=O)[N-]C(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000842333892 595078477 /nfs/dbraw/zinc/07/84/77/595078477.db2.gz OFKKJXLAUMOXAN-GHMZBOCLSA-N -1 1 335.341 1.013 20 5 EDBDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCOC2(C)C)cc1F ZINC000867330869 595163717 /nfs/dbraw/zinc/16/37/17/595163717.db2.gz LJEVHPLZGMAVSX-LBPRGKRZSA-N -1 1 332.353 1.888 20 5 EDBDMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)o1 ZINC000067329451 215134129 /nfs/dbraw/zinc/13/41/29/215134129.db2.gz GVOFNPAUQGUNAN-UHFFFAOYSA-N -1 1 339.329 1.026 20 5 EDBDMM C[C@H]1CN(CC(C)(C)O)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000186874204 236049986 /nfs/dbraw/zinc/04/99/86/236049986.db2.gz GZQOOHNNBYNVNN-NSHDSACASA-N -1 1 337.376 1.218 20 5 EDBDMM O=C(NC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000195327417 139014532 /nfs/dbraw/zinc/01/45/32/139014532.db2.gz DSWWVMQFNVGDPF-UHFFFAOYSA-N -1 1 348.281 1.452 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1nncn1C ZINC000263720104 139355602 /nfs/dbraw/zinc/35/56/02/139355602.db2.gz RINQNDPJUWIERJ-ZETCQYMHSA-N -1 1 345.768 1.416 20 5 EDBDMM O=C(C=Cc1cccc([N+](=O)[O-])c1)NC1(c2nn[n-]n2)CCCC1 ZINC000491859197 255153021 /nfs/dbraw/zinc/15/30/21/255153021.db2.gz LJJWNKSZYXYAQJ-VOTSOKGWSA-N -1 1 328.332 1.707 20 5 EDBDMM Cc1cnc(C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c([O-])c1 ZINC000495010898 255265817 /nfs/dbraw/zinc/26/58/17/255265817.db2.gz YPFLIBRPFDFRKF-UHFFFAOYSA-N -1 1 342.355 1.966 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Nc2cccnn2)CC1 ZINC000264287499 139393783 /nfs/dbraw/zinc/39/37/83/139393783.db2.gz LBKXIPUFXIPCPS-UHFFFAOYSA-N -1 1 344.331 1.202 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@H](C)c2nnc(C)s2)c([N+](=O)[O-])n1 ZINC000352999312 149246719 /nfs/dbraw/zinc/24/67/19/149246719.db2.gz DMLRHEUTTTVIIH-ZCFIWIBFSA-N -1 1 346.394 1.011 20 5 EDBDMM O=C(NC[C@H]1CCC[C@@H]1N1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000363732262 153041960 /nfs/dbraw/zinc/04/19/60/153041960.db2.gz GNHJBKDKTBCMPS-OCCSQVGLSA-N -1 1 349.387 1.531 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CC[C@@H](Cc2ccncc2)C1 ZINC000374663543 157359428 /nfs/dbraw/zinc/35/94/28/157359428.db2.gz NETWMSGXOXOUAE-LBPRGKRZSA-N -1 1 328.328 1.795 20 5 EDBDMM C[C@@H](CN(C)C(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nn[n-]n1 ZINC000124067442 222370898 /nfs/dbraw/zinc/37/08/98/222370898.db2.gz ZHCSFJVTRQCYAV-VIFPVBQESA-N -1 1 343.347 1.394 20 5 EDBDMM CC(C)(C)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-] ZINC000275099615 268280976 /nfs/dbraw/zinc/28/09/76/268280976.db2.gz QIEILAIPXOFNFH-SNVBAGLBSA-N -1 1 334.325 1.512 20 5 EDBDMM Cc1ccoc1C(=O)NCCCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000275174470 268290253 /nfs/dbraw/zinc/29/02/53/268290253.db2.gz WXEWPZATRQQSGJ-UHFFFAOYSA-N -1 1 348.315 1.147 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000281258958 273454156 /nfs/dbraw/zinc/45/41/56/273454156.db2.gz DEDSIKAFKXFGEM-SCRDCRAPSA-N -1 1 335.360 1.851 20 5 EDBDMM Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000282917759 273739498 /nfs/dbraw/zinc/73/94/98/273739498.db2.gz NMUKNPXKXUOSQJ-JTQLQIEISA-N -1 1 331.332 1.334 20 5 EDBDMM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1CCn1ccc([N+](=O)[O-])n1 ZINC000292119623 289265813 /nfs/dbraw/zinc/26/58/13/289265813.db2.gz KCOULSMNNXPTAY-NXEZZACHSA-N -1 1 349.313 1.323 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCC2(CCC(O)CC2)CC1 ZINC000295695680 303253916 /nfs/dbraw/zinc/25/39/16/303253916.db2.gz ZPEWYLAHEKKMFI-UHFFFAOYSA-N -1 1 335.360 1.853 20 5 EDBDMM COC(=O)c1ccc([O-])c(NC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)c1 ZINC000436506468 305159221 /nfs/dbraw/zinc/15/92/21/305159221.db2.gz TWOURKJGLQHVLL-UHFFFAOYSA-N -1 1 348.315 1.657 20 5 EDBDMM C[C@H]1C[C@@H](CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000543171419 306061198 /nfs/dbraw/zinc/06/11/98/306061198.db2.gz IEHSQWNTYLBREQ-QWRGUYRKSA-N -1 1 329.378 1.473 20 5 EDBDMM CCN(CCCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)c1ccccc1 ZINC000028813870 441438318 /nfs/dbraw/zinc/43/83/18/441438318.db2.gz QZOZZNKCVZHTJL-UHFFFAOYSA-N -1 1 344.371 1.930 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)NCCc2n[n-]c(=S)n2C)c1 ZINC000067051074 441601342 /nfs/dbraw/zinc/60/13/42/441601342.db2.gz IZTSSUNGCOGEAW-UHFFFAOYSA-N -1 1 337.361 1.367 20 5 EDBDMM O=C(COc1ccccc1[N+](=O)[O-])Nc1n[n-]c(C(F)(F)F)n1 ZINC000036714155 441609907 /nfs/dbraw/zinc/60/99/07/441609907.db2.gz BNPGPJLKPRQCMO-UHFFFAOYSA-N -1 1 331.210 1.749 20 5 EDBDMM C[C@]1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCCC[C@@H]1O ZINC000124895494 441964051 /nfs/dbraw/zinc/96/40/51/441964051.db2.gz SNYXRDOFHGSIJM-JOYOIKCWSA-N -1 1 334.419 1.876 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000151035342 441994632 /nfs/dbraw/zinc/99/46/32/441994632.db2.gz PBBQRFVCBPOIDH-SNVBAGLBSA-N -1 1 349.265 1.471 20 5 EDBDMM CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000188449660 442751655 /nfs/dbraw/zinc/75/16/55/442751655.db2.gz TXZUMLVUCOGQTA-QMMMGPOBSA-N -1 1 349.796 1.393 20 5 EDBDMM CC(C)CN1CCO[C@@H](CNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)C1 ZINC000184920361 443098621 /nfs/dbraw/zinc/09/86/21/443098621.db2.gz DPSVTCUWVWTFON-ZDUSSCGKSA-N -1 1 337.376 1.387 20 5 EDBDMM O=c1ccc([N+](=O)[O-])cn1Cc1nc(-c2ccc([O-])c(F)c2)no1 ZINC000350841646 319073926 /nfs/dbraw/zinc/07/39/26/319073926.db2.gz VJQIDICGDUTSFT-UHFFFAOYSA-N -1 1 332.247 1.700 20 5 EDBDMM CC1(C)CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000292689183 443819018 /nfs/dbraw/zinc/81/90/18/443819018.db2.gz CJBKBGXVKSNASR-CQSZACIVSA-N -1 1 346.380 1.953 20 5 EDBDMM CC(C)(C)[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000276792771 443828866 /nfs/dbraw/zinc/82/88/66/443828866.db2.gz JROMOOUJOGOQIO-NSHDSACASA-N -1 1 336.797 1.934 20 5 EDBDMM CN(C[C@H](O)Cc1ccccc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000293567785 444057055 /nfs/dbraw/zinc/05/70/55/444057055.db2.gz DJUYHNCUSWEMMD-CYBMUJFWSA-N -1 1 331.328 1.371 20 5 EDBDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000348255987 445329395 /nfs/dbraw/zinc/32/93/95/445329395.db2.gz HDZSPJQMMADPQQ-STQMWFEESA-N -1 1 347.302 1.783 20 5 EDBDMM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C ZINC000360215009 445633264 /nfs/dbraw/zinc/63/32/64/445633264.db2.gz IOOVIZQDXMECSZ-AAEUAGOBSA-N -1 1 341.433 1.973 20 5 EDBDMM Cc1sc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349961681 445734875 /nfs/dbraw/zinc/73/48/75/445734875.db2.gz BRZIPHZFWQNKKU-ZETCQYMHSA-N -1 1 348.324 1.556 20 5 EDBDMM Cc1cc(OCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)ccc1[N+](=O)[O-] ZINC000369162532 445962666 /nfs/dbraw/zinc/96/26/66/445962666.db2.gz HZVSFBLSCBWZMY-LLVKDONJSA-N -1 1 346.347 1.201 20 5 EDBDMM COc1ccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1OC ZINC000361861765 446015076 /nfs/dbraw/zinc/01/50/76/446015076.db2.gz GZEJMJYKMRZKGP-UHFFFAOYSA-N -1 1 347.327 1.685 20 5 EDBDMM C[C@H]1CCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)[O-] ZINC000583262673 326037742 /nfs/dbraw/zinc/03/77/42/326037742.db2.gz CFHSVFMCIGQGPX-FZMZJTMJSA-N -1 1 335.360 1.600 20 5 EDBDMM C[C@@H]1C[C@H]1[N@H+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)C1 ZINC000583324591 326051088 /nfs/dbraw/zinc/05/10/88/326051088.db2.gz AUHOANCECZIHQO-DMDPSCGWSA-N -1 1 334.376 1.855 20 5 EDBDMM Cc1ccc(S(=O)(=O)N=c2ccnc3n(C)[n-]cc2-3)c([N+](=O)[O-])c1 ZINC000359415800 446210787 /nfs/dbraw/zinc/21/07/87/446210787.db2.gz RWQUPIAFDAVAMR-UHFFFAOYSA-N -1 1 347.356 1.359 20 5 EDBDMM C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000376138562 446350458 /nfs/dbraw/zinc/35/04/58/446350458.db2.gz CNFGVYOTDQURTO-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]Cc2cnc(C)cc2C)c([N+](=O)[O-])n1 ZINC000452037946 447807708 /nfs/dbraw/zinc/80/77/08/447807708.db2.gz CSZMXKZRNFMYNH-UHFFFAOYSA-N -1 1 339.377 1.302 20 5 EDBDMM CC1(C)[C@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000525702159 448014812 /nfs/dbraw/zinc/01/48/12/448014812.db2.gz MYJUDTNMOIRVGG-JMJZKYOTSA-N -1 1 327.362 1.082 20 5 EDBDMM Cc1nc(C)c(CC[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])s1 ZINC000525688170 448011826 /nfs/dbraw/zinc/01/18/26/448011826.db2.gz FNFFGKMMBGOPBG-UHFFFAOYSA-N -1 1 342.402 1.584 20 5 EDBDMM O=C([O-])C[C@@H]1CCCN(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000532881592 448327538 /nfs/dbraw/zinc/32/75/38/448327538.db2.gz OAIDBOMLRZXPNG-LBPRGKRZSA-N -1 1 347.371 1.671 20 5 EDBDMM C[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)CCO[C@H]1C1CC1 ZINC000541387830 448673000 /nfs/dbraw/zinc/67/30/00/448673000.db2.gz QCYKJPYQXDENHI-NWDGAFQWSA-N -1 1 332.403 1.892 20 5 EDBDMM C[C@H](C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)CC(F)(F)F ZINC000593609385 449106377 /nfs/dbraw/zinc/10/63/77/449106377.db2.gz XAPZHUZMHDEWMA-ZETCQYMHSA-N -1 1 327.284 1.857 20 5 EDBDMM Cc1cc(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)ncn1 ZINC000611134001 449181806 /nfs/dbraw/zinc/18/18/06/449181806.db2.gz HWPQUQJIHZBLEW-UHFFFAOYSA-N -1 1 326.309 1.311 20 5 EDBDMM O=C(NC[C@H](n1cccn1)C(F)(F)F)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000600178832 449229669 /nfs/dbraw/zinc/22/96/69/449229669.db2.gz QITAUCIZIXVYRZ-VIFPVBQESA-N -1 1 345.237 1.425 20 5 EDBDMM COC(=O)Cn1ncc([N-]c2nccc(C(=O)OC)c2[N+](=O)[O-])c1C ZINC000598626232 449503988 /nfs/dbraw/zinc/50/39/88/449503988.db2.gz XKIXUHHGDRMQJB-UHFFFAOYSA-N -1 1 349.303 1.198 20 5 EDBDMM Cc1cc(S(=O)(=O)[N-]c2cn(C)c(=O)cc2C)c([N+](=O)[O-])s1 ZINC000598912195 449643070 /nfs/dbraw/zinc/64/30/70/449643070.db2.gz NQOZQPOAFBQIPU-UHFFFAOYSA-N -1 1 343.386 1.773 20 5 EDBDMM CC[N@H+]1CCC[C@H](NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000601314122 449823430 /nfs/dbraw/zinc/82/34/30/449823430.db2.gz YXVUUZJFIPVCGJ-NSHDSACASA-N -1 1 345.396 1.805 20 5 EDBDMM CN(Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000595279710 449998201 /nfs/dbraw/zinc/99/82/01/449998201.db2.gz YREHMOKCLMJFTB-KLPPZKSPSA-N -1 1 332.316 1.940 20 5 EDBDMM CN(C)C(=O)C(C)(C)[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000609389143 450024639 /nfs/dbraw/zinc/02/46/39/450024639.db2.gz SJQZUOFRXKMVLG-UHFFFAOYSA-N -1 1 349.796 1.393 20 5 EDBDMM O=C(N[C@H]1CCc2cc(O)ccc2C1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618251598 450100812 /nfs/dbraw/zinc/10/08/12/450100812.db2.gz LYVWKMYKVGZTAC-LBPRGKRZSA-N -1 1 329.312 1.688 20 5 EDBDMM O=C(NCCN1CCCc2ccccc21)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000618356933 450171983 /nfs/dbraw/zinc/17/19/83/450171983.db2.gz KLOREUARMRNWMF-UHFFFAOYSA-N -1 1 342.355 1.878 20 5 EDBDMM COc1c(F)cc(S(=O)(=O)[N-][C@H](C)C(F)F)cc1[N+](=O)[O-] ZINC000603422623 450294576 /nfs/dbraw/zinc/29/45/76/450294576.db2.gz HFPJKZDVYVNNNK-RXMQYKEDSA-N -1 1 328.268 1.674 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCCN(C[C@H]2CCCO2)CC1 ZINC000613914028 450356987 /nfs/dbraw/zinc/35/69/87/450356987.db2.gz MCHPABCSRKCGCP-CQSZACIVSA-N -1 1 349.387 1.627 20 5 EDBDMM CC(C)(C)[C@@H](CCO)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000178562451 526616632 /nfs/dbraw/zinc/61/66/32/526616632.db2.gz JMPWWPTZGNLAEH-LLVKDONJSA-N -1 1 334.369 1.809 20 5 EDBDMM CO[C@@H](C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000733320237 578759139 /nfs/dbraw/zinc/75/91/39/578759139.db2.gz HMEMUOTZLVMMKL-VIFPVBQESA-N -1 1 328.268 1.450 20 5 EDBDMM CCc1[nH]nc(C(=O)N2CCCC[C@@H]2CNC(=O)[O-])c1[N+](=O)[O-] ZINC000739541223 579216687 /nfs/dbraw/zinc/21/66/87/579216687.db2.gz ZYSJLIMWTXGQJX-MRVPVSSYSA-N -1 1 325.325 1.143 20 5 EDBDMM O=C(OCc1cc(=O)n2ccsc2n1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769044578 580226243 /nfs/dbraw/zinc/22/62/43/580226243.db2.gz BAUDGLKIBQBNJR-UHFFFAOYSA-N -1 1 347.308 1.727 20 5 EDBDMM CC(C)S(=O)(=O)CCCOC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000780071778 580511250 /nfs/dbraw/zinc/51/12/50/580511250.db2.gz KVPOPDQMTRTFIS-UHFFFAOYSA-N -1 1 331.346 1.671 20 5 EDBDMM C[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl)C(N)=O ZINC000791421491 580792247 /nfs/dbraw/zinc/79/22/47/580792247.db2.gz NJVRMSRCDBEDSK-SCSAIBSYSA-N -1 1 342.160 1.054 20 5 EDBDMM Cn1nccc1C[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000798225831 580991444 /nfs/dbraw/zinc/99/14/44/580991444.db2.gz NHBHJZLBFWYAJI-UHFFFAOYSA-N -1 1 348.743 1.599 20 5 EDBDMM Cc1nc([C@H](C)NC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000804815253 590780363 /nfs/dbraw/zinc/78/03/63/590780363.db2.gz PTIOIGDNGSTCGH-ZETCQYMHSA-N -1 1 325.275 1.991 20 5 EDBDMM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000910362340 592844346 /nfs/dbraw/zinc/84/43/46/592844346.db2.gz IHHOPRVWPDRYDN-CQSZACIVSA-N -1 1 349.387 1.984 20 5 EDBDMM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000807665053 593188347 /nfs/dbraw/zinc/18/83/47/593188347.db2.gz GCHRBBHMXFGULA-UHFFFAOYSA-N -1 1 346.299 1.918 20 5 EDBDMM CON1CCC([N-]S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000817152143 593577239 /nfs/dbraw/zinc/57/72/39/593577239.db2.gz PNPLYPYVRYKRFV-UHFFFAOYSA-N -1 1 349.796 1.552 20 5 EDBDMM CC(C)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)CC1=O ZINC000820128653 593793385 /nfs/dbraw/zinc/79/33/85/593793385.db2.gz SMMZKSPGPJSVLS-JTQLQIEISA-N -1 1 331.336 1.196 20 5 EDBDMM CO[C@@]1(C)C[C@H](Nc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])C1(C)C ZINC000821677848 593908281 /nfs/dbraw/zinc/90/82/81/593908281.db2.gz FTVSOYCJIMNWDH-XPTSAGLGSA-N -1 1 333.352 1.785 20 5 EDBDMM CO[C@@]1(C)C[C@H](Nc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])C1(C)C ZINC000821677848 593908284 /nfs/dbraw/zinc/90/82/84/593908284.db2.gz FTVSOYCJIMNWDH-XPTSAGLGSA-N -1 1 333.352 1.785 20 5 EDBDMM COc1cccc(CN(C)c2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])c1 ZINC000821869046 593957408 /nfs/dbraw/zinc/95/74/08/593957408.db2.gz ZLKLOPGIKHVZEP-UHFFFAOYSA-N -1 1 341.331 1.815 20 5 EDBDMM COc1cccc(CN(C)c2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])c1 ZINC000821869046 593957410 /nfs/dbraw/zinc/95/74/10/593957410.db2.gz ZLKLOPGIKHVZEP-UHFFFAOYSA-N -1 1 341.331 1.815 20 5 EDBDMM CC(C)c1[nH]nc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)c1[N+](=O)[O-] ZINC000824453804 594015968 /nfs/dbraw/zinc/01/59/68/594015968.db2.gz XFWNFMSUHNNOEN-QMMMGPOBSA-N -1 1 325.325 1.314 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CC(CC(F)(F)F)C1 ZINC000823614744 594221245 /nfs/dbraw/zinc/22/12/45/594221245.db2.gz SFRLPATZNSUVDT-UHFFFAOYSA-N -1 1 329.242 1.559 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CC(CC(F)(F)F)C1 ZINC000823614744 594221246 /nfs/dbraw/zinc/22/12/46/594221246.db2.gz SFRLPATZNSUVDT-UHFFFAOYSA-N -1 1 329.242 1.559 20 5 EDBDMM O=[N+]([O-])c1cc(NCCCOC[C@@H]2CCOC2)ccc1-c1nn[n-]n1 ZINC000823635290 594223517 /nfs/dbraw/zinc/22/35/17/594223517.db2.gz UXGZQRLEPDXCLZ-NSHDSACASA-N -1 1 348.363 1.630 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCN(Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)C1 ZINC000828028938 594325825 /nfs/dbraw/zinc/32/58/25/594325825.db2.gz INNWUXWCAZXCDX-OAHLLOKOSA-N -1 1 331.332 1.607 20 5 EDBDMM O=[N+]([O-])c1c(-c2nnn[n-]2)ccnc1N1CCC[C@@H](OC(F)F)C1 ZINC000826497633 594502216 /nfs/dbraw/zinc/50/22/16/594502216.db2.gz NXPPQMDVGMOQED-SSDOTTSWSA-N -1 1 341.278 1.378 20 5 EDBDMM O=[N+]([O-])c1c(-c2nn[n-]n2)ccnc1N1CCC[C@@H](OC(F)F)C1 ZINC000826497633 594502218 /nfs/dbraw/zinc/50/22/18/594502218.db2.gz NXPPQMDVGMOQED-SSDOTTSWSA-N -1 1 341.278 1.378 20 5 EDBDMM O=[N+]([O-])c1cc(N2CCC(c3cc[nH]n3)CC2)ccc1-c1nn[n-]n1 ZINC000826498462 594502958 /nfs/dbraw/zinc/50/29/58/594502958.db2.gz VYWVRFUQHBFEOA-UHFFFAOYSA-N -1 1 340.347 1.882 20 5 EDBDMM Cn1cc(CNC2CN(C(=O)[O-])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000831004126 594536714 /nfs/dbraw/zinc/53/67/14/594536714.db2.gz BVCYIORCSTXWDE-UHFFFAOYSA-N -1 1 331.332 1.447 20 5 EDBDMM O=C([O-])N1CCN(CCn2cc([N+](=O)[O-])cn2)C2(CCCCC2)C1 ZINC000832036476 594721161 /nfs/dbraw/zinc/72/11/61/594721161.db2.gz LZDKSEMNANYAJM-UHFFFAOYSA-N -1 1 337.380 1.790 20 5 EDBDMM COCC(COC)[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000832314528 594742264 /nfs/dbraw/zinc/74/22/64/594742264.db2.gz SVEPYTBIPMNJTF-UHFFFAOYSA-N -1 1 338.769 1.188 20 5 EDBDMM O=C(Cc1sc(N2CCC2)nc1[O-])Nc1cccc([N+](=O)[O-])c1 ZINC000840702968 594811515 /nfs/dbraw/zinc/81/15/15/594811515.db2.gz VOXVQPYWPZHWGR-LLVKDONJSA-N -1 1 334.357 1.627 20 5 EDBDMM CC(C)Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC2[N+](=O)[O-])cc1 ZINC000842334767 595079527 /nfs/dbraw/zinc/07/95/27/595079527.db2.gz BEPWGTJYRHKEAL-CHWSQXEVSA-N -1 1 326.374 1.355 20 5 EDBDMM CC1(C)OC[C@@H]2C[C@@]21[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000859289925 596036046 /nfs/dbraw/zinc/03/60/46/596036046.db2.gz IEUMVBLYBVENCR-ISVAXAHUSA-N -1 1 330.337 1.580 20 5 EDBDMM CCCn1cc([N-]c2ncnc(N3CCOCC3)c2[N+](=O)[O-])cn1 ZINC000856732200 596064552 /nfs/dbraw/zinc/06/45/52/596064552.db2.gz HXERBBHUKCBHQA-UHFFFAOYSA-N -1 1 333.352 1.572 20 5 EDBDMM C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000121147459 596267555 /nfs/dbraw/zinc/26/75/55/596267555.db2.gz TVQXOULANWGDMU-NSHDSACASA-N -1 1 348.427 1.904 20 5 EDBDMM C[C@@]1(C[N-]S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CCCCO1 ZINC000921677005 706557170 /nfs/dbraw/zinc/55/71/70/706557170.db2.gz YDUVZVRKLQAEEG-ZDUSSCGKSA-N -1 1 332.353 1.971 20 5 EDBDMM C[C@H](CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1)[S@](C)=O ZINC000124192270 138324591 /nfs/dbraw/zinc/32/45/91/138324591.db2.gz SJWHKXRRLLYWEF-LWESTGQBSA-N -1 1 326.421 1.092 20 5 EDBDMM CCOc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000124293990 138325558 /nfs/dbraw/zinc/32/55/58/138325558.db2.gz BOOBJPGKCPBKFB-SECBINFHSA-N -1 1 334.336 1.382 20 5 EDBDMM CCOC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049499064 214013293 /nfs/dbraw/zinc/01/32/93/214013293.db2.gz MBSZSRHEHGIFKV-ZETCQYMHSA-N -1 1 336.753 1.478 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CC[C@H](O)C(F)(F)F)c(F)c1 ZINC000349975167 143524112 /nfs/dbraw/zinc/52/41/12/143524112.db2.gz NLMPFSCTGOYCHW-VIFPVBQESA-N -1 1 346.258 1.326 20 5 EDBDMM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1N1C(=O)CNC1=O ZINC000358082361 151264424 /nfs/dbraw/zinc/26/44/24/151264424.db2.gz XVYZFSYDIFDDRQ-UHFFFAOYSA-N -1 1 343.299 1.540 20 5 EDBDMM Cc1noc(C2(C)CCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)CC2)n1 ZINC000378569303 158211518 /nfs/dbraw/zinc/21/15/18/158211518.db2.gz LEEQYVMWHLUCID-UHFFFAOYSA-N -1 1 347.331 1.581 20 5 EDBDMM O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000162843059 225880876 /nfs/dbraw/zinc/88/08/76/225880876.db2.gz IEVFSVORHAAVNX-AWEZNQCLSA-N -1 1 343.339 1.939 20 5 EDBDMM CC(C)(C)NC(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000119515191 278359906 /nfs/dbraw/zinc/35/99/06/278359906.db2.gz QYSBMPZFRBFKTR-UHFFFAOYSA-N -1 1 349.796 1.441 20 5 EDBDMM C[C@H]1CCC[C@@]1(O)C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000294451049 303109013 /nfs/dbraw/zinc/10/90/13/303109013.db2.gz FVFRYLQDYVECMB-TVQRCGJNSA-N -1 1 332.353 1.563 20 5 EDBDMM CCC[C@@H](NC(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)c1nn[n-]n1 ZINC000295070200 303169741 /nfs/dbraw/zinc/16/97/41/303169741.db2.gz VWVCFGMFVREITK-GFCCVEGCSA-N -1 1 346.347 1.728 20 5 EDBDMM Cn1cc([C@H]2CCCCN2C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cn1 ZINC000432990151 305098775 /nfs/dbraw/zinc/09/87/75/305098775.db2.gz XXRBGBDESGXVGG-GFCCVEGCSA-N -1 1 331.332 1.796 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C2(CF)CCOCC2)c(F)c1 ZINC000451740404 305366230 /nfs/dbraw/zinc/36/62/30/305366230.db2.gz XTGVCUKYISUFCS-UHFFFAOYSA-N -1 1 336.316 1.531 20 5 EDBDMM O=[N+]([O-])c1cnn(C=C([O-])Nc2nc(-c3ccccc3)ns2)c1 ZINC000507391389 305696946 /nfs/dbraw/zinc/69/69/46/305696946.db2.gz LBYVWKLGGOUMJX-UHFFFAOYSA-N -1 1 330.329 1.370 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-]CCc1cnc(C2CC2)nc1 ZINC000549863989 306149342 /nfs/dbraw/zinc/14/93/42/306149342.db2.gz OBTNJKQNQRXVJW-UHFFFAOYSA-N -1 1 349.372 1.178 20 5 EDBDMM CCc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C ZINC000091021307 441649847 /nfs/dbraw/zinc/64/98/47/441649847.db2.gz GVKMPWNZZZKWQD-UHFFFAOYSA-N -1 1 340.361 1.706 20 5 EDBDMM C[C@@H]1CN(C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)CCO1 ZINC000164582714 442199351 /nfs/dbraw/zinc/19/93/51/442199351.db2.gz BKCFJAXDKMSULA-GFCCVEGCSA-N -1 1 349.387 1.626 20 5 EDBDMM Cc1nc(S(=O)(=O)[N-]c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c[nH]1 ZINC000153189890 442266958 /nfs/dbraw/zinc/26/69/58/442266958.db2.gz FVBNKPOSDSXROQ-UHFFFAOYSA-N -1 1 348.344 1.817 20 5 EDBDMM O=C(N[C@H]1CCCN(c2ccccn2)C1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000153716441 442298194 /nfs/dbraw/zinc/29/81/94/442298194.db2.gz QGRMAXZPMQGUAS-NSHDSACASA-N -1 1 343.343 1.489 20 5 EDBDMM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN(C2CCOCC2)CC1 ZINC000187647624 442683990 /nfs/dbraw/zinc/68/39/90/442683990.db2.gz ARNPLXUGIQRBQH-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CC[C@@H](O)C1 ZINC000188333946 442740907 /nfs/dbraw/zinc/74/09/07/442740907.db2.gz CWANAXRHAFBZDO-WCBMZHEXSA-N -1 1 334.781 1.688 20 5 EDBDMM C[C@H](NC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1)[C@@H](O)Cc1ccccc1 ZINC000193742819 442777590 /nfs/dbraw/zinc/77/75/90/442777590.db2.gz ANUQTJOTFPCUGZ-HZMBPMFUSA-N -1 1 331.328 1.417 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(CO)c(F)c2)s1 ZINC000178627601 318449941 /nfs/dbraw/zinc/44/99/41/318449941.db2.gz PDTCYOOCWSQAFP-UHFFFAOYSA-N -1 1 346.361 1.766 20 5 EDBDMM C[C@H]1CN(CCCNC(=O)c2cc([N+](=O)[O-])ccc2[O-])C[C@H](C)O1 ZINC000194743253 442947130 /nfs/dbraw/zinc/94/71/30/442947130.db2.gz FVMZYWHZWBFHKY-RYUDHWBXSA-N -1 1 337.376 1.530 20 5 EDBDMM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000266202418 443055152 /nfs/dbraw/zinc/05/51/52/443055152.db2.gz OUUUFQMLTWHDNC-DTWKUNHWSA-N -1 1 334.781 1.952 20 5 EDBDMM CCN(C)C(=O)C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000185990848 443295010 /nfs/dbraw/zinc/29/50/10/443295010.db2.gz LZCPYUPGWUMFNQ-UHFFFAOYSA-N -1 1 335.769 1.005 20 5 EDBDMM C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC2(CCOCC2)O1 ZINC000279105906 443515557 /nfs/dbraw/zinc/51/55/57/443515557.db2.gz DGSWMSHYLYVWEK-SNVBAGLBSA-N -1 1 337.332 1.106 20 5 EDBDMM CCC[C@@H](NC(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21)c1nn[n-]n1 ZINC000267723013 443554769 /nfs/dbraw/zinc/55/47/69/443554769.db2.gz VKLHDUZQEGCYFD-SNVBAGLBSA-N -1 1 330.308 1.255 20 5 EDBDMM O=C1CCCN1CC[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000570575365 321349405 /nfs/dbraw/zinc/34/94/05/321349405.db2.gz DJLRBYHGPUZLBO-UHFFFAOYSA-N -1 1 347.780 1.149 20 5 EDBDMM CCN1CCC[C@H]1CNS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000314184409 444298822 /nfs/dbraw/zinc/29/88/22/444298822.db2.gz XNXMQJYUJNELHL-JTQLQIEISA-N -1 1 329.378 1.063 20 5 EDBDMM O=C(NCCc1nc2ccccc2o1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000579505223 321943436 /nfs/dbraw/zinc/94/34/36/321943436.db2.gz PHJGBZLPVMRFFY-UHFFFAOYSA-N -1 1 328.284 1.809 20 5 EDBDMM CC1(C)C[C@@H](C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000580299522 322032883 /nfs/dbraw/zinc/03/28/83/322032883.db2.gz VDBUTLYNFFEQOB-JTQLQIEISA-N -1 1 329.378 1.473 20 5 EDBDMM CSc1nnc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)s1 ZINC000338878425 444908701 /nfs/dbraw/zinc/90/87/01/444908701.db2.gz OEKSGQDZWGAWIQ-UHFFFAOYSA-N -1 1 327.347 1.199 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])n1 ZINC000330457016 444988029 /nfs/dbraw/zinc/98/80/29/444988029.db2.gz PZYXLUAMILOARI-OUAUKWLOSA-N -1 1 330.410 1.914 20 5 EDBDMM CCn1cc(S(=O)(=O)[N-]C[C@@]2(C)CCCC[C@H]2O)c([N+](=O)[O-])n1 ZINC000339045480 445006092 /nfs/dbraw/zinc/00/60/92/445006092.db2.gz PMHOBQYPPUQZOP-DGCLKSJQSA-N -1 1 346.409 1.031 20 5 EDBDMM CO[C@@H](CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000345349176 445183113 /nfs/dbraw/zinc/18/31/13/445183113.db2.gz XDCBPRWGJNRUDD-JTQLQIEISA-N -1 1 342.295 1.841 20 5 EDBDMM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000348272373 445334733 /nfs/dbraw/zinc/33/47/33/445334733.db2.gz CFNAJNWCTUGDOM-QMMMGPOBSA-N -1 1 334.361 1.394 20 5 EDBDMM Cc1nc([C@@H]2CCCN(C(=O)c3cc([N+](=O)[O-])c[n-]c3=O)C2)no1 ZINC000363100738 445677822 /nfs/dbraw/zinc/67/78/22/445677822.db2.gz NULMONMJTCRSGX-SECBINFHSA-N -1 1 333.304 1.407 20 5 EDBDMM Cc1ccc2nc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cn2c1 ZINC000358761902 445761868 /nfs/dbraw/zinc/76/18/68/445761868.db2.gz GLZXWQQIZDGCTJ-UHFFFAOYSA-N -1 1 327.300 1.582 20 5 EDBDMM Cc1cc(C)n([C@@H]2CCCN(C(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)C2)n1 ZINC000369355689 446098105 /nfs/dbraw/zinc/09/81/05/446098105.db2.gz YLWMZWXROOVFFV-CYBMUJFWSA-N -1 1 345.359 1.986 20 5 EDBDMM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2ncn(-c3ccccn3)n2)c1 ZINC000362035292 446169230 /nfs/dbraw/zinc/16/92/30/446169230.db2.gz CSRXYOIJUIGDAW-UHFFFAOYSA-N -1 1 340.299 1.831 20 5 EDBDMM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN(C2CCOCC2)CC1 ZINC000370533267 446321502 /nfs/dbraw/zinc/32/15/02/446321502.db2.gz KRVPESINMDUDIO-UHFFFAOYSA-N -1 1 335.360 1.237 20 5 EDBDMM C[C@@](O)(C[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000443279318 447024325 /nfs/dbraw/zinc/02/43/25/447024325.db2.gz YEOUQHFAZSQJNI-GFCCVEGCSA-N -1 1 334.781 1.688 20 5 EDBDMM O=C(N[C@H](c1nnc[nH]1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000368826313 447140352 /nfs/dbraw/zinc/14/03/52/447140352.db2.gz VASWBLAWXLARON-ZDUSSCGKSA-N -1 1 339.311 1.938 20 5 EDBDMM COC(=O)c1cccc(CCNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)c1 ZINC000445143706 447174653 /nfs/dbraw/zinc/17/46/53/447174653.db2.gz YVEPMMMBMUSZBN-UHFFFAOYSA-N -1 1 345.311 1.455 20 5 EDBDMM O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCC(Oc2cnccn2)CC1 ZINC000376040683 447229338 /nfs/dbraw/zinc/22/93/38/447229338.db2.gz BJFVNGNXBYDLSZ-UHFFFAOYSA-N -1 1 345.315 1.169 20 5 EDBDMM COC(=O)c1ccc([N+](=O)[O-])c([N-]c2cnn([C@@H]3CCOC3)c2C)n1 ZINC000450796063 447579114 /nfs/dbraw/zinc/57/91/14/447579114.db2.gz QFNPINMFNXROBM-SNVBAGLBSA-N -1 1 347.331 1.986 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H](CO)c1cccc(F)c1 ZINC000533093201 448355890 /nfs/dbraw/zinc/35/58/90/448355890.db2.gz AXVJHZWGXMSJNI-NSHDSACASA-N -1 1 341.320 1.141 20 5 EDBDMM C[C@@H]1CCN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C(=O)[O-] ZINC000572841309 448476737 /nfs/dbraw/zinc/47/67/37/448476737.db2.gz NTIQTIYMMDUTEV-UGFHNGPFSA-N -1 1 347.371 1.743 20 5 EDBDMM C[C@@H](CCO)C1(C[N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCC1 ZINC000537182563 448550878 /nfs/dbraw/zinc/55/08/78/448550878.db2.gz QZFXFFCYWVAXFT-NSHDSACASA-N -1 1 343.405 1.457 20 5 EDBDMM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cccnc2[N+](=O)[O-])CCO1 ZINC000538539752 448589023 /nfs/dbraw/zinc/58/90/23/448589023.db2.gz XPOBCUHSIDZADM-NWDGAFQWSA-N -1 1 343.405 1.862 20 5 EDBDMM Cc1cc(NC[C@@H](C)N2CCN(C)CC2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000567238473 448646044 /nfs/dbraw/zinc/64/60/44/448646044.db2.gz MWAQTOUUBFHUJS-GFCCVEGCSA-N -1 1 336.392 1.649 20 5 EDBDMM O=[N+]([O-])c1ncccc1S(=O)(=O)[N-][C@@H]1CCO[C@H](C2CC2)C1 ZINC000545201681 448776969 /nfs/dbraw/zinc/77/69/69/448776969.db2.gz RWNYVBVGQQDSHV-MNOVXSKESA-N -1 1 327.362 1.226 20 5 EDBDMM Cc1[n-][nH]c(=O)c1NC(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc21 ZINC000590397842 449146417 /nfs/dbraw/zinc/14/64/17/449146417.db2.gz HKWKYPXDSRKRCD-UHFFFAOYSA-N -1 1 329.272 1.838 20 5 EDBDMM Cn1ncc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccccc2)s1 ZINC000611233658 449229867 /nfs/dbraw/zinc/22/98/67/449229867.db2.gz RIZYDSSKGPLRLR-UHFFFAOYSA-N -1 1 344.356 2.023 20 5 EDBDMM COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)c1ccc(C)o1 ZINC000593558856 449348959 /nfs/dbraw/zinc/34/89/59/449348959.db2.gz SWVFNKPTPUWPIL-NSHDSACASA-N -1 1 341.345 1.557 20 5 EDBDMM C[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2F)c2ncnn21 ZINC000594799187 449709645 /nfs/dbraw/zinc/70/96/45/449709645.db2.gz PXUSRTVLUPMHMH-OIBJUYFYSA-N -1 1 341.324 1.310 20 5 EDBDMM C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000595252207 449977049 /nfs/dbraw/zinc/97/70/49/449977049.db2.gz UWZJWYWXLFLXSL-XHDPSFHLSA-N -1 1 332.316 1.844 20 5 EDBDMM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000610259545 450171210 /nfs/dbraw/zinc/17/12/10/450171210.db2.gz ZEASZMQLLYGVHB-JTQLQIEISA-N -1 1 325.346 1.882 20 5 EDBDMM O=C(CNc1ccccc1[N+](=O)[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000619868232 450347136 /nfs/dbraw/zinc/34/71/36/450347136.db2.gz CHKJVHROVHCUBW-SNVBAGLBSA-N -1 1 347.331 1.502 20 5 EDBDMM C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000159339277 534205890 /nfs/dbraw/zinc/20/58/90/534205890.db2.gz OKPWOHADMBQQJD-HZMBPMFUSA-N -1 1 331.328 1.937 20 5 EDBDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]nnc2c1 ZINC000176528795 534347042 /nfs/dbraw/zinc/34/70/42/534347042.db2.gz AEQLLOWDXVOPMH-UHFFFAOYSA-N -1 1 333.329 1.975 20 5 EDBDMM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc[nH]c2=O)c1F ZINC000760343839 580028648 /nfs/dbraw/zinc/02/86/48/580028648.db2.gz ZDZIBYQELUDYTL-UHFFFAOYSA-N -1 1 327.293 1.944 20 5 EDBDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)[N-]CCNc1ccccn1 ZINC000760593878 580034409 /nfs/dbraw/zinc/03/44/09/580034409.db2.gz DZZLUUPCASDRDG-UHFFFAOYSA-N -1 1 340.336 1.519 20 5 EDBDMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C(C)(C)C ZINC000735920011 578940779 /nfs/dbraw/zinc/94/07/79/578940779.db2.gz JEFKCILHSMRUKO-NSHDSACASA-N -1 1 348.352 1.600 20 5 EDBDMM C[C@@H](NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)[C@H](O)c1cccc(F)c1 ZINC000777534505 580443756 /nfs/dbraw/zinc/44/37/56/580443756.db2.gz PPHSZQNJKXWUSH-OQPBUACISA-N -1 1 335.291 1.686 20 5 EDBDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CCO)C1CC1 ZINC000751442325 579807114 /nfs/dbraw/zinc/80/71/14/579807114.db2.gz JMEJEOWNBSUJSG-SNVBAGLBSA-N -1 1 334.781 1.688 20 5 EDBDMM Cn1c(C[N-]S(=O)(=O)c2csc([N+](=O)[O-])c2)nnc1C1CC1 ZINC000768893028 580223671 /nfs/dbraw/zinc/22/36/71/580223671.db2.gz VOKFFEUTBKLVGH-UHFFFAOYSA-N -1 1 343.390 1.141 20 5 EDBDMM O=C(N[C@@H]1CC[C@@H]2SCCS[C@@H]12)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770683197 580267599 /nfs/dbraw/zinc/26/75/99/580267599.db2.gz SRAJGEXJRFMRON-MIMYLULJSA-N -1 1 341.414 1.805 20 5 EDBDMM CC(C)([N-]S(=O)(=O)c1cccnc1[N+](=O)[O-])C1CCOCC1 ZINC000785399313 580642189 /nfs/dbraw/zinc/64/21/89/580642189.db2.gz XHPYWHDRQLWUPL-UHFFFAOYSA-N -1 1 329.378 1.473 20 5 EDBDMM C[C@H](CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O)NC(=O)OC(C)(C)C ZINC000792670740 580824767 /nfs/dbraw/zinc/82/47/67/580824767.db2.gz VFXBGZQKJHGZEK-MRVPVSSYSA-N -1 1 340.336 1.338 20 5 EDBDMM CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000138482414 591005752 /nfs/dbraw/zinc/00/57/52/591005752.db2.gz AUKPZFNSEBXVNG-UHFFFAOYSA-N -1 1 335.276 1.980 20 5 EDBDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](C3CC3)O2)s1 ZINC000907470113 592651415 /nfs/dbraw/zinc/65/14/15/592651415.db2.gz QRVFZNVKXZIVMH-UWVGGRQHSA-N -1 1 332.403 1.892 20 5 EDBDMM COc1cc(COC(=O)c2cn[n-]n2)c([N+](=O)[O-])cc1OC(F)F ZINC000805610091 593113730 /nfs/dbraw/zinc/11/37/30/593113730.db2.gz WZZYKZMMLCIMBA-UHFFFAOYSA-N -1 1 344.230 1.680 20 5 EDBDMM COC(=O)C(C)(C)C(=O)COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000803398139 593326395 /nfs/dbraw/zinc/32/63/95/593326395.db2.gz MVHAMZRWAIBWKQ-UHFFFAOYSA-N -1 1 325.273 1.226 20 5 EDBDMM C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCOC1=O ZINC000810102837 593383408 /nfs/dbraw/zinc/38/34/08/593383408.db2.gz KZPLVSZGYHQRMJ-NSHDSACASA-N -1 1 334.737 1.232 20 5 EDBDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]C1(CCO)CC1 ZINC000815047447 593612096 /nfs/dbraw/zinc/61/20/96/593612096.db2.gz GRNRWRKACQKVBN-UHFFFAOYSA-N -1 1 338.744 1.581 20 5 EDBDMM