smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1)C1CC1 ZINC000067004625 541406165 /nfs/dbraw/zinc/40/61/65/541406165.db2.gz NHBCYGBJKCXLQX-UHFFFAOYSA-N 0 2 368.396 2.201 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000055546054 205220255 /nfs/dbraw/zinc/22/02/55/205220255.db2.gz VUKIXMQZYRWICB-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc3oc(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC000102320727 543064875 /nfs/dbraw/zinc/06/48/75/543064875.db2.gz GXMBABHPWWPULA-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000124930730 543851506 /nfs/dbraw/zinc/85/15/06/543851506.db2.gz VOYXZUYDOLADTJ-UHFFFAOYSA-N 0 2 366.333 2.163 20 5 FEBDLN O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000181880932 327750570 /nfs/dbraw/zinc/75/05/70/327750570.db2.gz OCXJKPJGUPUIRI-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cn(-c2ccccc2)nn1 ZINC000184872507 327886622 /nfs/dbraw/zinc/88/66/22/327886622.db2.gz KONGJWCRJOYRLS-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000187266132 328011972 /nfs/dbraw/zinc/01/19/72/328011972.db2.gz RDMIBAPGCHWAFS-UHFFFAOYSA-N 0 2 368.349 2.253 20 5 FEBDLN O=C(CCc1nc(-c2ccccn2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000089540847 325321044 /nfs/dbraw/zinc/32/10/44/325321044.db2.gz ISKFBCYYNLSXFD-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN O=C(NCCc1csc(N2CCCC2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000117983140 326076059 /nfs/dbraw/zinc/07/60/59/326076059.db2.gz DWDRDGDIHSFVFO-UHFFFAOYSA-N 0 2 362.411 2.330 20 5 FEBDLN COc1cccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000264021558 328985168 /nfs/dbraw/zinc/98/51/68/328985168.db2.gz OZBXMFMIQMKTIQ-CYBMUJFWSA-N 0 2 357.366 2.318 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000266543787 329234804 /nfs/dbraw/zinc/23/48/04/329234804.db2.gz HEZPXLQJUKINBL-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN CC(C)(C)c1nnc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000268216797 329397722 /nfs/dbraw/zinc/39/77/22/329397722.db2.gz RNBCJCNBTWCWNX-UHFFFAOYSA-N 0 2 374.419 2.361 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000269189140 329494862 /nfs/dbraw/zinc/49/48/62/329494862.db2.gz WGVMUJYVMSUPGE-NVXWUHKLSA-N 0 2 372.377 2.265 20 5 FEBDLN CC(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000270424216 329599508 /nfs/dbraw/zinc/59/95/08/329599508.db2.gz SVZFAUWSTQRFGN-GFCCVEGCSA-N 0 2 364.402 2.317 20 5 FEBDLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C ZINC000271143928 329666312 /nfs/dbraw/zinc/66/63/12/329666312.db2.gz GGESBTWAXFXOFX-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000157663427 545768161 /nfs/dbraw/zinc/76/81/61/545768161.db2.gz XQMYZOWWCDLUDQ-CHWSQXEVSA-N 0 2 363.414 2.457 20 5 FEBDLN COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1O ZINC000484230673 561294127 /nfs/dbraw/zinc/29/41/27/561294127.db2.gz HDGXORJDNZTMLC-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183908912 547737275 /nfs/dbraw/zinc/73/72/75/547737275.db2.gz VZCDZSVFECEAIO-UHFFFAOYSA-N 0 2 354.322 2.039 20 5 FEBDLN O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000186499816 548144922 /nfs/dbraw/zinc/14/49/22/548144922.db2.gz RBKLMLORCIJMOY-UHFFFAOYSA-N 0 2 357.366 2.256 20 5 FEBDLN O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262868155 549857786 /nfs/dbraw/zinc/85/77/86/549857786.db2.gz FWRLSMBQUVOUAX-XEZPLFJOSA-N 0 2 370.365 2.106 20 5 FEBDLN C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000262984316 549868115 /nfs/dbraw/zinc/86/81/15/549868115.db2.gz LFFOECDEBQDISO-QGZVFWFLSA-N 0 2 358.354 2.107 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000271610917 550389754 /nfs/dbraw/zinc/38/97/54/550389754.db2.gz VIUANBSWKRHNNQ-LBPRGKRZSA-N 0 2 362.386 2.167 20 5 FEBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000278447804 550787535 /nfs/dbraw/zinc/78/75/35/550787535.db2.gz XJTINZOYKIWJBY-UHFFFAOYSA-N 0 2 356.360 2.130 20 5 FEBDLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280049729 550956108 /nfs/dbraw/zinc/95/61/08/550956108.db2.gz KMOLLCOWCDJODJ-LLVKDONJSA-N 0 2 366.399 2.023 20 5 FEBDLN CO[C@H](C)CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282116589 551182729 /nfs/dbraw/zinc/18/27/29/551182729.db2.gz AWEVUZHIRTWCNN-SSDOTTSWSA-N 0 2 353.194 2.134 20 5 FEBDLN COCc1cnc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000285019221 551691136 /nfs/dbraw/zinc/69/11/36/551691136.db2.gz HJPOUDYAWWXWCQ-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000360588280 554881191 /nfs/dbraw/zinc/88/11/91/554881191.db2.gz MFJFESMCBACOFG-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000364887829 555426001 /nfs/dbraw/zinc/42/60/01/555426001.db2.gz CDCMTVCZZQJLQK-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1OC ZINC000513197403 561928885 /nfs/dbraw/zinc/92/88/85/561928885.db2.gz PYMONGMJMFKDAI-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCN(c2cccc[nH+]2)CC1 ZINC000367887888 556165411 /nfs/dbraw/zinc/16/54/11/556165411.db2.gz WRORKWZYZMSLPR-UHFFFAOYSA-N 0 2 356.382 2.436 20 5 FEBDLN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)n1C ZINC000368645454 556372905 /nfs/dbraw/zinc/37/29/05/556372905.db2.gz SKCWBHBXRQECKV-MRXNPFEDSA-N 0 2 367.365 2.257 20 5 FEBDLN O=C(NC1CC[NH+](Cc2cscn2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000371612317 557239465 /nfs/dbraw/zinc/23/94/65/557239465.db2.gz SIMBWGSSYSXZLI-UHFFFAOYSA-N 0 2 362.411 2.151 20 5 FEBDLN O=C(c1cc2cc([N+](=O)[O-])ccc2o1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000518983212 562122610 /nfs/dbraw/zinc/12/26/10/562122610.db2.gz FMZWAIOLHSESNU-UHFFFAOYSA-N 0 2 357.326 2.185 20 5 FEBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373348498 557677024 /nfs/dbraw/zinc/67/70/24/557677024.db2.gz ZQHVPWXCYVAJQI-UHFFFAOYSA-N 0 2 352.297 2.252 20 5 FEBDLN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377733992 558408014 /nfs/dbraw/zinc/40/80/14/558408014.db2.gz DTCJOUUSKSIAKG-KGLIPLIRSA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000378530991 558576494 /nfs/dbraw/zinc/57/64/94/558576494.db2.gz HNZUOYNMVFQXLW-LLVKDONJSA-N 0 2 357.370 2.247 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)c(C)cc1[N+](=O)[O-] ZINC000414369226 559159014 /nfs/dbraw/zinc/15/90/14/559159014.db2.gz DIMRJRQDWWNLFD-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000416419989 559311836 /nfs/dbraw/zinc/31/18/36/559311836.db2.gz WZSTUHILHRIRIW-UHFFFAOYSA-N 0 2 368.371 2.029 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000422041520 559562445 /nfs/dbraw/zinc/56/24/45/559562445.db2.gz GDGCQMBLDXNFEA-OAHLLOKOSA-N 0 2 361.398 2.211 20 5 FEBDLN O=C(CCCc1ccccc1)NCCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000424948797 559680913 /nfs/dbraw/zinc/68/09/13/559680913.db2.gz ICUBZDIILOEVPV-UHFFFAOYSA-N 0 2 371.393 2.169 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000427393827 559754662 /nfs/dbraw/zinc/75/46/62/559754662.db2.gz CSKZJYIHFWPTCJ-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n(Cc2ccccn2)n1 ZINC000432371778 559857496 /nfs/dbraw/zinc/85/74/96/559857496.db2.gz DTMZFLBBZUAESE-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3O)n2)c1 ZINC000436826733 559953339 /nfs/dbraw/zinc/95/33/39/559953339.db2.gz LRAPZBCDKTUQEU-JTQLQIEISA-N 0 2 368.353 2.280 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)Nc1cccc2cccnc21 ZINC000436870470 559954822 /nfs/dbraw/zinc/95/48/22/559954822.db2.gz POERQSHWIBIFTD-UHFFFAOYSA-N 0 2 366.333 2.217 20 5 FEBDLN O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436947230 559957196 /nfs/dbraw/zinc/95/71/96/559957196.db2.gz FXXKLNLAKFSQFK-CQSZACIVSA-N 0 2 373.390 2.454 20 5 FEBDLN CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000436968603 559957811 /nfs/dbraw/zinc/95/78/11/559957811.db2.gz ULVFNQUKLYRTPF-LBPRGKRZSA-N 0 2 362.342 2.021 20 5 FEBDLN CCO[C@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000436970031 559957824 /nfs/dbraw/zinc/95/78/24/559957824.db2.gz BSQZARSCXYBDEQ-SECBINFHSA-N 0 2 350.331 2.053 20 5 FEBDLN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000436970034 559957826 /nfs/dbraw/zinc/95/78/26/559957826.db2.gz BSQZARSCXYBDEQ-VIFPVBQESA-N 0 2 350.331 2.053 20 5 FEBDLN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436974208 559958149 /nfs/dbraw/zinc/95/81/49/559958149.db2.gz XBZJHGRYRYGNCN-DZGCQCFKSA-N 0 2 366.320 2.268 20 5 FEBDLN O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436974213 559958201 /nfs/dbraw/zinc/95/82/01/559958201.db2.gz XBZJHGRYRYGNCN-ZFWWWQNUSA-N 0 2 366.320 2.268 20 5 FEBDLN COC(=O)COc1ccc(N(C)C(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436986491 559958612 /nfs/dbraw/zinc/95/86/12/559958612.db2.gz GEXVXLDEHQWYOZ-UHFFFAOYSA-N 0 2 360.322 2.129 20 5 FEBDLN CS(=O)(=O)CCc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436989400 559958696 /nfs/dbraw/zinc/95/86/96/559958696.db2.gz RGBOIDRCTSZCBN-UHFFFAOYSA-N 0 2 364.379 2.140 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccccc2F)cc([N+](=O)[O-])c1 ZINC000438721221 559982763 /nfs/dbraw/zinc/98/27/63/559982763.db2.gz GPQUOWCEPNUCFD-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN O=C(NCc1ccncc1OCC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000442978969 560064700 /nfs/dbraw/zinc/06/47/00/560064700.db2.gz DVDQKVJTERWNJK-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc(C3CC3)nn2)cc1[N+](=O)[O-] ZINC000446961998 560154265 /nfs/dbraw/zinc/15/42/65/560154265.db2.gz GHCLAWHJIFNXBK-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cnn([C@H]3CCOC3)c2C)cc1[N+](=O)[O-] ZINC000451091570 560286423 /nfs/dbraw/zinc/28/64/23/560286423.db2.gz ALOUAASMTUJQDY-JTQLQIEISA-N 0 2 372.428 2.232 20 5 FEBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000451108049 560287630 /nfs/dbraw/zinc/28/76/30/560287630.db2.gz RAJYEYDRSDUCHM-UHFFFAOYSA-N 0 2 371.806 2.285 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452472518 560365777 /nfs/dbraw/zinc/36/57/77/560365777.db2.gz DZQJNNQEVZRATR-MAUKXSAKSA-N 0 2 360.341 2.241 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452979778 560379725 /nfs/dbraw/zinc/37/97/25/560379725.db2.gz SBABAWCTCROHDM-KDOFPFPSSA-N 0 2 360.341 2.241 20 5 FEBDLN CCOC(=O)Cc1cnc(N(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000457106810 560549460 /nfs/dbraw/zinc/54/94/60/560549460.db2.gz IUUXJIPPTROQFH-UHFFFAOYSA-N 0 2 365.367 2.139 20 5 FEBDLN NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c1 ZINC000463515224 560817848 /nfs/dbraw/zinc/81/78/48/560817848.db2.gz DVWZQIVAKPMVTI-UHFFFAOYSA-N 0 2 372.362 2.043 20 5 FEBDLN O=C(Nc1c[nH]cc(Br)c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469883181 560968062 /nfs/dbraw/zinc/96/80/62/560968062.db2.gz HPMFLYNZWSRJRT-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN CN(CC(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1[N+](=O)[O-] ZINC000533723550 562516784 /nfs/dbraw/zinc/51/67/84/562516784.db2.gz MSMCTWHZODQACR-UHFFFAOYSA-N 0 2 370.394 2.005 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1[N+](=O)[O-] ZINC000534059630 562524474 /nfs/dbraw/zinc/52/44/74/562524474.db2.gz QLHZPZTYMACMLS-UHFFFAOYSA-N 0 2 366.277 2.146 20 5 FEBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(=O)[O-])cc1 ZINC000737974857 599863283 /nfs/dbraw/zinc/86/32/83/599863283.db2.gz WYCFJIAFDHFVIN-KRWDZBQOSA-N 0 2 373.365 2.266 20 5 FEBDLN CC(C)C[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262204082 600916301 /nfs/dbraw/zinc/91/63/01/600916301.db2.gz RDMYBWUTMADZSK-ZDUSSCGKSA-N 0 2 360.370 2.257 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740174628 602266766 /nfs/dbraw/zinc/26/67/66/602266766.db2.gz KFVHKOAFTMBQRQ-OLZOCXBDSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740174628 602266768 /nfs/dbraw/zinc/26/67/68/602266768.db2.gz KFVHKOAFTMBQRQ-OLZOCXBDSA-N 0 2 364.402 2.352 20 5 FEBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738637709 602386447 /nfs/dbraw/zinc/38/64/47/602386447.db2.gz KJCIPRNCOKZJNU-GFCCVEGCSA-N 0 2 364.402 2.244 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739181252 602794559 /nfs/dbraw/zinc/79/45/59/602794559.db2.gz RJLNVZZAXMNKFQ-CABZTGNLSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739181252 602794560 /nfs/dbraw/zinc/79/45/60/602794560.db2.gz RJLNVZZAXMNKFQ-CABZTGNLSA-N 0 2 370.793 2.165 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830532106 603716173 /nfs/dbraw/zinc/71/61/73/603716173.db2.gz LZGFAJQCLKCBBC-SMDDNHRTSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830532106 603716177 /nfs/dbraw/zinc/71/61/77/603716177.db2.gz LZGFAJQCLKCBBC-SMDDNHRTSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830432126 603716385 /nfs/dbraw/zinc/71/63/85/603716385.db2.gz ABCNOIJBKAVJLI-SWLSCSKDSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830432126 603716389 /nfs/dbraw/zinc/71/63/89/603716389.db2.gz ABCNOIJBKAVJLI-SWLSCSKDSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830137967 603728067 /nfs/dbraw/zinc/72/80/67/603728067.db2.gz ISJYJZWGEYDPBK-ABAIWWIYSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830137967 603728070 /nfs/dbraw/zinc/72/80/70/603728070.db2.gz ISJYJZWGEYDPBK-ABAIWWIYSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830433184 603975154 /nfs/dbraw/zinc/97/51/54/603975154.db2.gz RFTVNEHEJXLKAG-OCCSQVGLSA-N 0 2 362.386 2.058 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830433184 603975158 /nfs/dbraw/zinc/97/51/58/603975158.db2.gz RFTVNEHEJXLKAG-OCCSQVGLSA-N 0 2 362.386 2.058 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830531040 604215983 /nfs/dbraw/zinc/21/59/83/604215983.db2.gz AUFJVYMUCAFNKU-OLZOCXBDSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830531040 604215987 /nfs/dbraw/zinc/21/59/87/604215987.db2.gz AUFJVYMUCAFNKU-OLZOCXBDSA-N 0 2 364.402 2.210 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCN1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833953897 605816554 /nfs/dbraw/zinc/81/65/54/605816554.db2.gz DSCKQWOEHNYEJT-LSDHHAIUSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1nnsc1CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000813753222 674776838 /nfs/dbraw/zinc/77/68/38/674776838.db2.gz WUBMBHFOQKBSKD-UHFFFAOYSA-N 0 2 366.783 2.026 20 5 FEBDLN COc1cccc(-c2nc(=NC(=O)c3cc([N+](=O)[O-])cn3C)s[nH]2)c1 ZINC000609116804 675910537 /nfs/dbraw/zinc/91/05/37/675910537.db2.gz GJASYQUNBIXEKA-UHFFFAOYSA-N 0 2 359.367 2.135 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] ZINC000172894351 672345473 /nfs/dbraw/zinc/34/54/73/672345473.db2.gz VFQMANNGPUBZRO-UHFFFAOYSA-N 0 2 365.342 2.338 20 5 FEBDLN COC(=O)C1(CS(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCC1 ZINC000589556169 672531620 /nfs/dbraw/zinc/53/16/20/672531620.db2.gz OXGSTPWUZXLMHL-UHFFFAOYSA-N 0 2 360.363 2.209 20 5 FEBDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000611737546 676052577 /nfs/dbraw/zinc/05/25/77/676052577.db2.gz LDYUHTWUANTEBS-UHFFFAOYSA-N 0 2 368.415 2.263 20 5 FEBDLN CCn1cc[nH+]c1C[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000832025308 680077615 /nfs/dbraw/zinc/07/76/15/680077615.db2.gz KHQBYWAWXREBPH-UHFFFAOYSA-N 0 2 362.770 2.082 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC000766374543 680874998 /nfs/dbraw/zinc/87/49/98/680874998.db2.gz FWLUAUPKQGUIDD-UHFFFAOYSA-N 0 2 350.278 2.435 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)cs1 ZINC000768886252 680963357 /nfs/dbraw/zinc/96/33/57/680963357.db2.gz AXTBLYLDMOISOH-UHFFFAOYSA-N 0 2 351.369 2.242 20 5 FEBDLN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000773090346 681125225 /nfs/dbraw/zinc/12/52/25/681125225.db2.gz UPKHVYJHIWVCIT-MRVPVSSYSA-N 0 2 354.413 2.106 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC000778093128 681570842 /nfs/dbraw/zinc/57/08/42/681570842.db2.gz MLMNUYZYSSLOLV-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cl)c(C(N)=O)c1 ZINC000055583676 540661392 /nfs/dbraw/zinc/66/13/92/540661392.db2.gz NNSYRSMHQCWNAY-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN CS(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000057558119 540802141 /nfs/dbraw/zinc/80/21/41/540802141.db2.gz LHEQVJYBBWBFGT-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C(N)=O ZINC000066587104 541341515 /nfs/dbraw/zinc/34/15/15/541341515.db2.gz URBSLBYEWNEGKY-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCC(F)(F)F ZINC000038039648 205038509 /nfs/dbraw/zinc/03/85/09/205038509.db2.gz CKPOOCMWCCEDNO-UHFFFAOYSA-N 0 2 363.111 2.198 20 5 FEBDLN O=C(OC[C@@H]1CCCO1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387435 674125221 /nfs/dbraw/zinc/12/52/21/674125221.db2.gz SGFQUPKBCQHFGI-JTQLQIEISA-N 0 2 367.745 2.475 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)c([N+](=O)[O-])c1 ZINC000102862653 543083729 /nfs/dbraw/zinc/08/37/29/543083729.db2.gz DRUAPZUQECUCFW-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c[nH]c(=O)c(Br)c1 ZINC000179406137 327641307 /nfs/dbraw/zinc/64/13/07/327641307.db2.gz CDKLEJBTQGAGQM-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1O ZINC000179543756 327648732 /nfs/dbraw/zinc/64/87/32/327648732.db2.gz PGLORSMZBYZKTD-UHFFFAOYSA-N 0 2 354.322 2.323 20 5 FEBDLN Cn1cnc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)c2)n1 ZINC000181162551 327718690 /nfs/dbraw/zinc/71/86/90/327718690.db2.gz QVNPAXNHSWAVKX-UHFFFAOYSA-N 0 2 365.396 2.253 20 5 FEBDLN Cc1nc(CN2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cs1 ZINC000194742699 328438256 /nfs/dbraw/zinc/43/82/56/328438256.db2.gz IUMMPZGZYNIAEP-UHFFFAOYSA-N 0 2 362.411 2.023 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1 ZINC000118301371 326087392 /nfs/dbraw/zinc/08/73/92/326087392.db2.gz FDTXSAIXFZWHQF-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN Cc1ccsc1[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000125339752 326469972 /nfs/dbraw/zinc/46/99/72/326469972.db2.gz DQPQQCQFGLLJAQ-SNVBAGLBSA-N 0 2 360.388 2.116 20 5 FEBDLN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271472769 329696419 /nfs/dbraw/zinc/69/64/19/329696419.db2.gz IUWCBXFCNMWQRM-JOYOIKCWSA-N 0 2 353.400 2.187 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000272375218 329775435 /nfs/dbraw/zinc/77/54/35/329775435.db2.gz ICERBTUQIWFRAH-GFCCVEGCSA-N 0 2 360.322 2.007 20 5 FEBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000477429026 561144776 /nfs/dbraw/zinc/14/47/76/561144776.db2.gz UKDPKWHLJMGPCM-UHFFFAOYSA-N 0 2 364.379 2.420 20 5 FEBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 ZINC000478545081 561169230 /nfs/dbraw/zinc/16/92/30/561169230.db2.gz VYUUYAYTWHEQJM-UHFFFAOYSA-N 0 2 355.310 2.141 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cc1 ZINC000161207287 546109426 /nfs/dbraw/zinc/10/94/26/546109426.db2.gz KUPAOARRXYQBSD-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000161262785 546115276 /nfs/dbraw/zinc/11/52/76/546115276.db2.gz LLVDUSWUPVUNSV-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000479119449 561181992 /nfs/dbraw/zinc/18/19/92/561181992.db2.gz RNPFZQZGVCUXMH-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000479766043 561196658 /nfs/dbraw/zinc/19/66/58/561196658.db2.gz FVXGGLLNBPLKPZ-UHFFFAOYSA-N 0 2 362.252 2.011 20 5 FEBDLN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483435214 561277081 /nfs/dbraw/zinc/27/70/81/561277081.db2.gz QJGPUZMQZVCKOJ-ZDUSSCGKSA-N 0 2 352.391 2.361 20 5 FEBDLN O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181906827 547402200 /nfs/dbraw/zinc/40/22/00/547402200.db2.gz RJOCKUUBDBAVCJ-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181943962 547410060 /nfs/dbraw/zinc/41/00/60/547410060.db2.gz GTGFEADXFOBTMZ-CHWSQXEVSA-N 0 2 363.414 2.457 20 5 FEBDLN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181947094 547411707 /nfs/dbraw/zinc/41/17/07/547411707.db2.gz YNYWQNCSSIALGQ-LBPRGKRZSA-N 0 2 363.414 2.313 20 5 FEBDLN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000182110638 547439305 /nfs/dbraw/zinc/43/93/05/547439305.db2.gz RKBUWKVYBCJMIU-ZDUSSCGKSA-N 0 2 361.398 2.211 20 5 FEBDLN COc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1O ZINC000484197591 561293378 /nfs/dbraw/zinc/29/33/78/561293378.db2.gz XNWGGGXCRBPABB-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cn[nH]c2)cc(Br)cc1[N+](=O)[O-] ZINC000485395142 561318142 /nfs/dbraw/zinc/31/81/42/561318142.db2.gz CSFCYHYPTBXEQJ-UHFFFAOYSA-N 0 2 361.177 2.190 20 5 FEBDLN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185594627 548007391 /nfs/dbraw/zinc/00/73/91/548007391.db2.gz OSDPANIBARQQEB-GFCCVEGCSA-N 0 2 359.386 2.493 20 5 FEBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c3c(c2)OCCO3)[nH]1 ZINC000486023337 561335571 /nfs/dbraw/zinc/33/55/71/561335571.db2.gz AVPWBBPQBGCENC-OWOJBTEDSA-N 0 2 351.702 2.391 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1[N+](=O)[O-] ZINC000488311765 561387797 /nfs/dbraw/zinc/38/77/97/561387797.db2.gz SRGRXBYLQWXBJF-UHFFFAOYSA-N 0 2 372.378 2.396 20 5 FEBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268788310 550116120 /nfs/dbraw/zinc/11/61/20/550116120.db2.gz LBMKVUVAYBECSL-JTQLQIEISA-N 0 2 356.791 2.327 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc(N(C)C)c1 ZINC000493032563 561454170 /nfs/dbraw/zinc/45/41/70/561454170.db2.gz KUKMPWIQCODKQP-UHFFFAOYSA-N 0 2 351.384 2.470 20 5 FEBDLN Cc1ccc(NC(=O)C[C@@H]2SC(N(C)C3CC3)=NC2=O)c([N+](=O)[O-])c1 ZINC000273318841 550494374 /nfs/dbraw/zinc/49/43/74/550494374.db2.gz FMZSIDSDFBVUBT-ZDUSSCGKSA-N 0 2 362.411 2.324 20 5 FEBDLN Cc1ccc(NC(=O)CC2SC(N(C)C3CC3)=NC2=O)c([N+](=O)[O-])c1 ZINC000273318841 550494375 /nfs/dbraw/zinc/49/43/75/550494375.db2.gz FMZSIDSDFBVUBT-ZDUSSCGKSA-N 0 2 362.411 2.324 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)oc1C ZINC000278525370 550795392 /nfs/dbraw/zinc/79/53/92/550795392.db2.gz HJOJHUXSKXRSQK-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN Cn1nc([C@H]2CCCOC2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000280049736 550955880 /nfs/dbraw/zinc/95/58/80/550955880.db2.gz KMOLLCOWCDJODJ-NSHDSACASA-N 0 2 366.399 2.023 20 5 FEBDLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000508322514 561758969 /nfs/dbraw/zinc/75/89/69/561758969.db2.gz QZPHABOYRVPGIC-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331908447 554344787 /nfs/dbraw/zinc/34/47/87/554344787.db2.gz ZSOXWMHYHNQMHE-HNNXBMFYSA-N 0 2 361.398 2.354 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000509487331 561801793 /nfs/dbraw/zinc/80/17/93/561801793.db2.gz HPNANDOLFLQLSL-QWHCGFSZSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000332303585 554421192 /nfs/dbraw/zinc/42/11/92/554421192.db2.gz KZYHJCPXLMIBBU-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000510673431 561843067 /nfs/dbraw/zinc/84/30/67/561843067.db2.gz BLLFHTFWYTZBHN-HNNXBMFYSA-N 0 2 358.350 2.295 20 5 FEBDLN Cc1occc1C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000363025286 555013189 /nfs/dbraw/zinc/01/31/89/555013189.db2.gz HGCDTAJHDDXZEX-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000367639723 556102978 /nfs/dbraw/zinc/10/29/78/556102978.db2.gz WYWBCYQMBUCEJV-PEBVRCNWSA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368406742 556299127 /nfs/dbraw/zinc/29/91/27/556299127.db2.gz HBDYMTZEPYXSAT-SNVBAGLBSA-N 0 2 352.297 2.252 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC2CCOCC2)CC1 ZINC000368921387 556448844 /nfs/dbraw/zinc/44/88/44/556448844.db2.gz OSWRKVWKQJTCCM-UHFFFAOYSA-N 0 2 350.371 2.101 20 5 FEBDLN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2)n1C ZINC000368961274 556460406 /nfs/dbraw/zinc/46/04/06/556460406.db2.gz WCAZPFNFIWGQMB-MRXNPFEDSA-N 0 2 367.365 2.257 20 5 FEBDLN O=c1nc(CN2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)[nH]c2ccsc21 ZINC000369004040 556473538 /nfs/dbraw/zinc/47/35/38/556473538.db2.gz XMCNOBYNOYFDEG-JTQLQIEISA-N 0 2 360.399 2.339 20 5 FEBDLN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C[C@H](C)O2 ZINC000373735426 557747788 /nfs/dbraw/zinc/74/77/88/557747788.db2.gz HEIPOGDLLHALBK-BWACUDIHSA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(Nc1cccnc1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000376872280 558232163 /nfs/dbraw/zinc/23/21/63/558232163.db2.gz MNKJZSFFCDGGKL-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000377698442 558400471 /nfs/dbraw/zinc/40/04/71/558400471.db2.gz VCVRHGIMHDXNEC-LBPRGKRZSA-N 0 2 367.365 2.363 20 5 FEBDLN CCc1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000414449520 559164397 /nfs/dbraw/zinc/16/43/97/559164397.db2.gz CFLGEUHWHSTEDQ-UHFFFAOYSA-N 0 2 366.277 2.360 20 5 FEBDLN CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)CC1 ZINC000420983368 559517270 /nfs/dbraw/zinc/51/72/70/559517270.db2.gz QWFZBSCPLODMCD-UHFFFAOYSA-N 0 2 362.474 2.292 20 5 FEBDLN C[C@@H](NC(=O)N=c1ccc(-c2cnn(C)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000433661418 559885862 /nfs/dbraw/zinc/88/58/62/559885862.db2.gz APRGEIPDEOXQIV-LLVKDONJSA-N 0 2 367.369 2.668 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000434311180 559897796 /nfs/dbraw/zinc/89/77/96/559897796.db2.gz FKYNHGCNGUFARZ-CYBMUJFWSA-N 0 2 362.313 2.126 20 5 FEBDLN COc1cc(OC)c(OC)cc1CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436662034 559947978 /nfs/dbraw/zinc/94/79/78/559947978.db2.gz AWZMNEXLRUMSJU-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN COc1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1O ZINC000436805871 559952553 /nfs/dbraw/zinc/95/25/53/559952553.db2.gz FYXWFPZRYSHWAS-UHFFFAOYSA-N 0 2 355.310 2.346 20 5 FEBDLN O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436872471 559955139 /nfs/dbraw/zinc/95/51/39/559955139.db2.gz WSOHBYCILPRVPE-UHFFFAOYSA-N 0 2 369.337 2.223 20 5 FEBDLN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1ccccc1 ZINC000436874311 559955148 /nfs/dbraw/zinc/95/51/48/559955148.db2.gz SSAMWMOJKJQPFY-IAQYHMDHSA-N 0 2 355.350 2.224 20 5 FEBDLN O=C(NCCCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])cc1O ZINC000436884836 559955256 /nfs/dbraw/zinc/95/52/56/559955256.db2.gz DWCNZTTYOGXAEZ-UHFFFAOYSA-N 0 2 358.350 2.434 20 5 FEBDLN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(F)(F)F ZINC000443929626 560096424 /nfs/dbraw/zinc/09/64/24/560096424.db2.gz QFYALKCJIXXHNM-VXNVDRBHSA-N 0 2 358.342 2.067 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1F ZINC000446770494 560151382 /nfs/dbraw/zinc/15/13/82/560151382.db2.gz VDMICXPIHJGPGN-UHFFFAOYSA-N 0 2 369.330 2.025 20 5 FEBDLN C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448712261 560195891 /nfs/dbraw/zinc/19/58/91/560195891.db2.gz XXMCYFAZLYYTRT-CQSZACIVSA-N 0 2 357.414 2.385 20 5 FEBDLN CCN1C(=O)C[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)[C@H]1c1cccnc1 ZINC000450385058 560260946 /nfs/dbraw/zinc/26/09/46/560260946.db2.gz CJIUIRVNHLUJCQ-SUMWQHHRSA-N 0 2 370.365 2.244 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc(C)nc1C ZINC000468374004 560928272 /nfs/dbraw/zinc/92/82/72/560928272.db2.gz NYMWZQIFUSYSJE-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cs1 ZINC000475794811 561105478 /nfs/dbraw/zinc/10/54/78/561105478.db2.gz HRBHDFFUNPTSLG-UHFFFAOYSA-N 0 2 360.344 2.383 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000476197087 561112883 /nfs/dbraw/zinc/11/28/83/561112883.db2.gz IMQPBXBELUBBMY-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2O)c([N+](=O)[O-])c1 ZINC000568828252 568233874 /nfs/dbraw/zinc/23/38/74/568233874.db2.gz YVTGVDMXYQISGD-UHFFFAOYSA-N 0 2 366.351 2.312 20 5 FEBDLN O=C([O-])N1CC[C@H]([N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)C1 ZINC000834083720 605773254 /nfs/dbraw/zinc/77/32/54/605773254.db2.gz KGTYRZSOQWVYHX-AWEZNQCLSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@H]([N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)C1 ZINC000834083720 605773258 /nfs/dbraw/zinc/77/32/58/605773258.db2.gz KGTYRZSOQWVYHX-AWEZNQCLSA-N 0 2 373.369 2.362 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)cc([N+](=O)[O-])c1F ZINC000130021251 672069322 /nfs/dbraw/zinc/06/93/22/672069322.db2.gz HEXXYHVSPRKUBN-UHFFFAOYSA-N 0 2 351.319 2.114 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc([N+](=O)[O-])c1F ZINC000130021251 672069327 /nfs/dbraw/zinc/06/93/27/672069327.db2.gz HEXXYHVSPRKUBN-UHFFFAOYSA-N 0 2 351.319 2.114 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)s1 ZINC000589594591 672533269 /nfs/dbraw/zinc/53/32/69/672533269.db2.gz NLSWUVFUWAGZTH-UHFFFAOYSA-N 0 2 359.776 2.153 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(n2)OCCO3)c1C ZINC000594727579 673124398 /nfs/dbraw/zinc/12/43/98/673124398.db2.gz OUJOQTGGWWTYSN-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccc2c(n1)OCCO2 ZINC000594728035 673124659 /nfs/dbraw/zinc/12/46/59/673124659.db2.gz SJBUUBBTHPIHSZ-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN COc1cc(C(C)=O)ccc1S(=O)(=O)Cc1onc(C)c1[N+](=O)[O-] ZINC000596022495 673349420 /nfs/dbraw/zinc/34/94/20/673349420.db2.gz KDHJSEMTKKPBPW-UHFFFAOYSA-N 0 2 354.340 2.076 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000598714163 673602276 /nfs/dbraw/zinc/60/22/76/673602276.db2.gz PXZXLFAWHRRVMF-UHFFFAOYSA-N 0 2 367.383 2.436 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000614481226 676177442 /nfs/dbraw/zinc/17/74/42/676177442.db2.gz XEASIVYNITZDOF-UHFFFAOYSA-N 0 2 368.346 2.211 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000619466594 676378217 /nfs/dbraw/zinc/37/82/17/676378217.db2.gz CJDOTIMOOMRALM-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN O=C(Nc1nc2c(s1)CCN(Cc1ccccc1)C2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839532651 680759913 /nfs/dbraw/zinc/75/99/13/680759913.db2.gz YSBATFPZKZFOEJ-TZMCWYRMSA-N 0 2 358.423 2.305 20 5 FEBDLN CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000753701846 680310359 /nfs/dbraw/zinc/31/03/59/680310359.db2.gz IDCYXBCEJBEJMN-UHFFFAOYSA-N 0 2 350.352 2.346 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@@H]2CCCO2)ccc1Br ZINC000769636340 680989653 /nfs/dbraw/zinc/98/96/53/680989653.db2.gz SYBZLDFEHMPNRF-VIFPVBQESA-N 0 2 365.205 2.278 20 5 FEBDLN O=C(N[C@@H]1CCCc2cn[nH]c21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586370 681584033 /nfs/dbraw/zinc/58/40/33/681584033.db2.gz YKCUOJAXYZMBGK-GFCCVEGCSA-N 0 2 352.297 2.483 20 5 FEBDLN C[C@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000788299101 682518317 /nfs/dbraw/zinc/51/83/17/682518317.db2.gz ORKMVCCELQIQQF-INIZCTEOSA-N 0 2 352.293 2.216 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)COc1ccc([N+](=O)[O-])cc1Cl ZINC000865342784 683970894 /nfs/dbraw/zinc/97/08/94/683970894.db2.gz ZKXSPHQHJLLYFU-UHFFFAOYSA-N 0 2 354.668 2.265 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000866284199 684088375 /nfs/dbraw/zinc/08/83/75/684088375.db2.gz MHVQOAAMQSLIMS-LLVKDONJSA-N 0 2 352.700 2.291 20 5 FEBDLN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018157267 539647071 /nfs/dbraw/zinc/64/70/71/539647071.db2.gz RUPNNDMJUDKUAW-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000801091161 674101360 /nfs/dbraw/zinc/10/13/60/674101360.db2.gz OMAWJBPBYYZOEU-UHFFFAOYSA-N 0 2 361.320 2.053 20 5 FEBDLN O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000068439687 541592208 /nfs/dbraw/zinc/59/22/08/541592208.db2.gz BBIWTVWFPGOEGW-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN CCn1c(SCc2n[nH]c(=O)[nH]2)nc2cc3ccccc3cc2c1=O ZINC000091578101 542813757 /nfs/dbraw/zinc/81/37/57/542813757.db2.gz XQNOGOYQWWRQFM-UHFFFAOYSA-N 0 2 353.407 2.273 20 5 FEBDLN CCc1cnc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)s1 ZINC000552050683 674184732 /nfs/dbraw/zinc/18/47/32/674184732.db2.gz OZZVBGJMZWVUKY-UHFFFAOYSA-N 0 2 362.411 2.282 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1C ZINC000125063876 543858745 /nfs/dbraw/zinc/85/87/45/543858745.db2.gz ANKZMVLCGYRQOO-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130318945 544146361 /nfs/dbraw/zinc/14/63/61/544146361.db2.gz UHZIOELWDCTZBF-HNNXBMFYSA-N 0 2 369.377 2.221 20 5 FEBDLN NC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])ccc1F ZINC000131260593 544182630 /nfs/dbraw/zinc/18/26/30/544182630.db2.gz TZPAJDMGAIMQIE-UHFFFAOYSA-N 0 2 373.749 2.287 20 5 FEBDLN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134331162 544303903 /nfs/dbraw/zinc/30/39/03/544303903.db2.gz OVTBTDCCRREORK-AWEZNQCLSA-N 0 2 361.398 2.211 20 5 FEBDLN CC(C)OCCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000153190512 544744209 /nfs/dbraw/zinc/74/42/09/544744209.db2.gz RMTQOKGYWCGMAH-UHFFFAOYSA-N 0 2 354.388 2.152 20 5 FEBDLN CC(C)OCCS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000153190512 544744212 /nfs/dbraw/zinc/74/42/12/544744212.db2.gz RMTQOKGYWCGMAH-UHFFFAOYSA-N 0 2 354.388 2.152 20 5 FEBDLN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183592762 327825627 /nfs/dbraw/zinc/82/56/27/327825627.db2.gz XNFIFYSBFQANCH-CYBMUJFWSA-N 0 2 355.350 2.115 20 5 FEBDLN CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n(C)n1 ZINC000185619821 327925258 /nfs/dbraw/zinc/92/52/58/327925258.db2.gz QBHZETVMEVWAJP-UHFFFAOYSA-N 0 2 361.383 2.240 20 5 FEBDLN COc1ccc2c(c1)nc(CNC(=O)c1ccc([N+](=O)[O-])cc1O)n2C ZINC000187576895 328034243 /nfs/dbraw/zinc/03/42/43/328034243.db2.gz MBCPPDQDXURLGB-UHFFFAOYSA-N 0 2 356.338 2.126 20 5 FEBDLN O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000237971474 328536163 /nfs/dbraw/zinc/53/61/63/328536163.db2.gz FEGUQSTWZIXNTP-ZDUSSCGKSA-N 0 2 372.381 2.498 20 5 FEBDLN O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000121488196 326342324 /nfs/dbraw/zinc/34/23/24/326342324.db2.gz MHLSRQOEMCGNKT-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CCCOc1ncccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123765120 326441970 /nfs/dbraw/zinc/44/19/70/326441970.db2.gz ALDBXVRTCFHJHH-UHFFFAOYSA-N 0 2 369.374 2.396 20 5 FEBDLN CN1C(=O)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000152597960 326711468 /nfs/dbraw/zinc/71/14/68/326711468.db2.gz HTXNOJYMWVYEJM-CXAGYDPISA-N 0 2 373.340 2.141 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164022318 327063313 /nfs/dbraw/zinc/06/33/13/327063313.db2.gz MLLBJRPYQKEZPQ-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164680637 327073196 /nfs/dbraw/zinc/07/31/96/327073196.db2.gz PALRXLYFJUDWRK-UWVGGRQHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164680637 327073198 /nfs/dbraw/zinc/07/31/98/327073198.db2.gz PALRXLYFJUDWRK-UWVGGRQHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164680741 327073231 /nfs/dbraw/zinc/07/32/31/327073231.db2.gz PALRXLYFJUDWRK-ZJUUUORDSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000164680741 327073232 /nfs/dbraw/zinc/07/32/32/327073232.db2.gz PALRXLYFJUDWRK-ZJUUUORDSA-N 0 2 355.778 2.372 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172316052 327195156 /nfs/dbraw/zinc/19/51/56/327195156.db2.gz QHJDYUQYPFCOGU-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000266625630 329242972 /nfs/dbraw/zinc/24/29/72/329242972.db2.gz UNZAPTRUCJGZFX-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000267380349 329321177 /nfs/dbraw/zinc/32/11/77/329321177.db2.gz UXQHVPUSKYEYOL-GFCCVEGCSA-N 0 2 365.386 2.382 20 5 FEBDLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000271177700 329669788 /nfs/dbraw/zinc/66/97/88/329669788.db2.gz XPBKLUFFWIJLFL-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273213320 329845840 /nfs/dbraw/zinc/84/58/40/329845840.db2.gz NWCKVWSGVRFPMN-CABZTGNLSA-N 0 2 353.400 2.187 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccc(N(C)C)n1 ZINC000181095221 547248608 /nfs/dbraw/zinc/24/86/08/547248608.db2.gz ZWTBBQJHYCRICV-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cccc(C(=O)N2CCCC2)n1 ZINC000483438297 561277233 /nfs/dbraw/zinc/27/72/33/561277233.db2.gz MEMTZJORMJFIAT-UHFFFAOYSA-N 0 2 356.338 2.184 20 5 FEBDLN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)nc1 ZINC000185619690 548010708 /nfs/dbraw/zinc/01/07/08/548010708.db2.gz VMKIHPIUZAVBCF-UHFFFAOYSA-N 0 2 373.394 2.405 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000185638320 548013142 /nfs/dbraw/zinc/01/31/42/548013142.db2.gz HQQMLTIISPYOGC-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(F)cc1[N+](=O)[O-] ZINC000186639295 548164230 /nfs/dbraw/zinc/16/42/30/548164230.db2.gz SZXYBHGDXRRBKP-UHFFFAOYSA-N 0 2 371.328 2.361 20 5 FEBDLN Cc1nc(COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)no1 ZINC000486026288 561335793 /nfs/dbraw/zinc/33/57/93/561335793.db2.gz DIAHPFUVDCZTHZ-QPJJXVBHSA-N 0 2 371.309 2.237 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000195426585 548637796 /nfs/dbraw/zinc/63/77/96/548637796.db2.gz VQJZBVMEANKCHE-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271472767 550377916 /nfs/dbraw/zinc/37/79/16/550377916.db2.gz IUWCBXFCNMWQRM-BXKDBHETSA-N 0 2 353.400 2.187 20 5 FEBDLN COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1C ZINC000494319199 561467189 /nfs/dbraw/zinc/46/71/89/561467189.db2.gz PNSIERVWSLOLFF-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1[N+](=O)[O-] ZINC000279925887 550943650 /nfs/dbraw/zinc/94/36/50/550943650.db2.gz UYPKDDPHMAHIJG-UHFFFAOYSA-N 0 2 352.372 2.318 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc2oc(=O)[nH]c2c1 ZINC000496052074 561491987 /nfs/dbraw/zinc/49/19/87/561491987.db2.gz IMZJKMOOCKPGKY-UHFFFAOYSA-N 0 2 366.293 2.479 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000500758696 561581354 /nfs/dbraw/zinc/58/13/54/561581354.db2.gz MMYCVWWCXKQLSA-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000290591958 552503445 /nfs/dbraw/zinc/50/34/45/552503445.db2.gz XPMTTXAEKUSYQN-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN CC(C)OCc1nc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000292033430 552686413 /nfs/dbraw/zinc/68/64/13/552686413.db2.gz QHDYRCOZDGNECK-VIFPVBQESA-N 0 2 350.331 2.099 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(C2CCOCC2)s1 ZINC000295161500 552965139 /nfs/dbraw/zinc/96/51/39/552965139.db2.gz DOBPNACRROWRQH-UHFFFAOYSA-N 0 2 370.412 2.141 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(O)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000504020694 561652012 /nfs/dbraw/zinc/65/20/12/561652012.db2.gz TUJDFNVEGFRTTF-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508081744 561750578 /nfs/dbraw/zinc/75/05/78/561750578.db2.gz DUJCMBUZEGXFGT-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330604314 554144746 /nfs/dbraw/zinc/14/47/46/554144746.db2.gz XZHBEWOKHJGSGB-GFCCVEGCSA-N 0 2 363.414 2.313 20 5 FEBDLN COc1ccccc1-c1nc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]1 ZINC000510057359 561823487 /nfs/dbraw/zinc/82/34/87/561823487.db2.gz URYVVNJFHAHROX-UHFFFAOYSA-N 0 2 355.310 2.346 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1oc(=O)n2C ZINC000512730750 561913801 /nfs/dbraw/zinc/91/38/01/561913801.db2.gz UEZSLZANMHHWOK-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000364901480 555431572 /nfs/dbraw/zinc/43/15/72/555431572.db2.gz LRUSDNQVJRIWQG-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CN1Cc2cc(-c3csc(NC(=O)[C@@H]4C[C@@H]4[N+](=O)[O-])n3)ccc2NC1=O ZINC000365421935 555570684 /nfs/dbraw/zinc/57/06/84/555570684.db2.gz UIZMXWDBLFQZIO-MFKMUULPSA-N 0 2 373.394 2.391 20 5 FEBDLN Cn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1ccccn1 ZINC000366261772 555795467 /nfs/dbraw/zinc/79/54/67/555795467.db2.gz WVKCDGRRXYGJQF-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@]2(CCCOC2)O1 ZINC000366461666 555851117 /nfs/dbraw/zinc/85/11/17/555851117.db2.gz NGSADORVKPHQDU-QGZVFWFLSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367292678 556010017 /nfs/dbraw/zinc/01/00/17/556010017.db2.gz UKCBTIRXHFLVHH-IBGZPJMESA-N 0 2 356.378 2.467 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)cc1 ZINC000368654438 556375021 /nfs/dbraw/zinc/37/50/21/556375021.db2.gz YLOHVJSFHYHIDU-AWEZNQCLSA-N 0 2 350.352 2.212 20 5 FEBDLN Nc1ncnc2sc3c(c21)CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C3 ZINC000370419180 556867580 /nfs/dbraw/zinc/86/75/80/556867580.db2.gz SRXNJLUJRDOVIN-UHFFFAOYSA-N 0 2 371.378 2.086 20 5 FEBDLN Cc1cc(NCc2ccc(N3CCOCC3)[nH+]c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000517239719 562082054 /nfs/dbraw/zinc/08/20/54/562082054.db2.gz YAXOLTOHLYHXEY-UHFFFAOYSA-N 0 2 372.381 2.445 20 5 FEBDLN O=C(CCCNC(=O)c1cccc(O)c1[N+](=O)[O-])N1CCc2ccccc21 ZINC000517227840 562080952 /nfs/dbraw/zinc/08/09/52/562080952.db2.gz ZIFIMRFZZQCJPG-UHFFFAOYSA-N 0 2 369.377 2.400 20 5 FEBDLN CN(C(=O)[C@@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2)C1CC1 ZINC000371418172 557180699 /nfs/dbraw/zinc/18/06/99/557180699.db2.gz MVHLYAOAFCIEJG-AWEZNQCLSA-N 0 2 373.409 2.164 20 5 FEBDLN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000519548594 562134424 /nfs/dbraw/zinc/13/44/24/562134424.db2.gz OMSGPYFLEMXVTM-ZDUSSCGKSA-N 0 2 371.393 2.430 20 5 FEBDLN C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000519548594 562134425 /nfs/dbraw/zinc/13/44/25/562134425.db2.gz OMSGPYFLEMXVTM-ZDUSSCGKSA-N 0 2 371.393 2.430 20 5 FEBDLN O=C(NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)c1ccco1 ZINC000374911901 557950212 /nfs/dbraw/zinc/95/02/12/557950212.db2.gz JYNVZKYQNUFQKL-GFCCVEGCSA-N 0 2 373.365 2.176 20 5 FEBDLN O=C(NC1CCC(O)(c2cccnc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376075499 558123317 /nfs/dbraw/zinc/12/33/17/558123317.db2.gz LJCWJXIWGFEAHL-UHFFFAOYSA-N 0 2 357.366 2.256 20 5 FEBDLN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 ZINC000376124771 558129941 /nfs/dbraw/zinc/12/99/41/558129941.db2.gz GLWIIVUFKKIRPB-MRXNPFEDSA-N 0 2 369.377 2.140 20 5 FEBDLN C[C@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000412323002 559028018 /nfs/dbraw/zinc/02/80/18/559028018.db2.gz GTSOUDRSYWJFFB-VHSXEESVSA-N 0 2 363.349 2.067 20 5 FEBDLN CCc1csc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 ZINC000414468643 559166727 /nfs/dbraw/zinc/16/67/27/559166727.db2.gz GWBOXVDEVIQGRL-UHFFFAOYSA-N 0 2 371.396 2.186 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2c(nnc2C2CCCC2)C1 ZINC000429108932 559790956 /nfs/dbraw/zinc/79/09/56/559790956.db2.gz IXVGOQBGWKHPHU-UHFFFAOYSA-N 0 2 357.370 2.206 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F ZINC000436160403 559936472 /nfs/dbraw/zinc/93/64/72/559936472.db2.gz KSDAWFALEBLZDG-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000436672952 559948351 /nfs/dbraw/zinc/94/83/51/559948351.db2.gz HDUJCKVPGLLEIT-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN COc1cccc(C(F)(F)CNC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436680221 559948749 /nfs/dbraw/zinc/94/87/49/559948749.db2.gz JIJVXGGNRPKUHV-UHFFFAOYSA-N 0 2 353.281 2.226 20 5 FEBDLN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436864307 559954641 /nfs/dbraw/zinc/95/46/41/559954641.db2.gz NKUGQBRCVIHUAQ-LJQANCHMSA-N 0 2 370.361 2.257 20 5 FEBDLN CCNC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436861362 559954768 /nfs/dbraw/zinc/95/47/68/559954768.db2.gz TWXHYBWMVAMHSV-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COC(=O)CN(CCc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436934420 559956784 /nfs/dbraw/zinc/95/67/84/559956784.db2.gz SOOBAMLJZDZUNB-UHFFFAOYSA-N 0 2 358.350 2.158 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000436971398 559957960 /nfs/dbraw/zinc/95/79/60/559957960.db2.gz ONONRVLPDJYICK-STQMWFEESA-N 0 2 352.412 2.427 20 5 FEBDLN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000443900774 560095637 /nfs/dbraw/zinc/09/56/37/560095637.db2.gz PAWRZHPVSKFORS-UHFFFAOYSA-N 0 2 354.322 2.167 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1C ZINC000446780892 560151596 /nfs/dbraw/zinc/15/15/96/560151596.db2.gz PHPHQMCTTXSSDS-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1C ZINC000446780893 560151654 /nfs/dbraw/zinc/15/16/54/560151654.db2.gz PHPHQMCTTXSSDS-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN CC(C)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1C(N)=O ZINC000447683868 560167077 /nfs/dbraw/zinc/16/70/77/560167077.db2.gz USTOFYLFADPZIL-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000456628580 560526433 /nfs/dbraw/zinc/52/64/33/560526433.db2.gz DHUDMQYZSRHTLL-BMFZPTHFSA-N 0 2 374.397 2.424 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1c1ccccc1 ZINC000456968151 560541083 /nfs/dbraw/zinc/54/10/83/560541083.db2.gz WXOOMYNNMWAOBY-CABCVRRESA-N 0 2 370.361 2.329 20 5 FEBDLN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000457251211 560558321 /nfs/dbraw/zinc/55/83/21/560558321.db2.gz ZUEPTUBAZPLVFK-QGZVFWFLSA-N 0 2 350.371 2.494 20 5 FEBDLN COc1cc(C)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1Cl ZINC000461112586 560761822 /nfs/dbraw/zinc/76/18/22/560761822.db2.gz KODWVVQBIDTQDP-UHFFFAOYSA-N 0 2 357.775 2.183 20 5 FEBDLN CC(=O)NCc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466966407 560900437 /nfs/dbraw/zinc/90/04/37/560900437.db2.gz ZLCPMJNXVKNSOT-UHFFFAOYSA-N 0 2 369.424 2.402 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC ZINC000468546803 560932672 /nfs/dbraw/zinc/93/26/72/560932672.db2.gz GACSMSKFDJLBKH-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN CCS(=O)(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469576935 560958876 /nfs/dbraw/zinc/95/88/76/560958876.db2.gz RSUDOWQJDRMUNL-UHFFFAOYSA-N 0 2 365.367 2.314 20 5 FEBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475825493 561106273 /nfs/dbraw/zinc/10/62/73/561106273.db2.gz GHMDHCQGZCKSTK-UHFFFAOYSA-N 0 2 372.330 2.477 20 5 FEBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cn1C ZINC000475830801 561106370 /nfs/dbraw/zinc/10/63/70/561106370.db2.gz UIATYFQJFFRMJR-UHFFFAOYSA-N 0 2 371.346 2.050 20 5 FEBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000532364757 562475314 /nfs/dbraw/zinc/47/53/14/562475314.db2.gz RERWLZBTJYLIOI-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN O=C(Cc1csc(N2CCCC2=O)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000534803200 562542771 /nfs/dbraw/zinc/54/27/71/562542771.db2.gz WMFCZVXYESODEX-UHFFFAOYSA-N 0 2 362.367 2.065 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C(=O)[O-])CC1 ZINC000738630641 596924049 /nfs/dbraw/zinc/92/40/49/596924049.db2.gz LPKRHZKJHUQJHQ-SECBINFHSA-N 0 2 355.778 2.372 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])s1 ZINC000557040215 674433484 /nfs/dbraw/zinc/43/34/84/674433484.db2.gz XELMWNCJJPZJOH-UHFFFAOYSA-N 0 2 370.408 2.086 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808124311 674442834 /nfs/dbraw/zinc/44/28/34/674442834.db2.gz QKLJZYLKTPIUDH-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN CN(C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828224658 603580600 /nfs/dbraw/zinc/58/06/00/603580600.db2.gz ZKVXESIICRTDPN-LLVKDONJSA-N 0 2 370.793 2.261 20 5 FEBDLN CN(C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828224658 603580604 /nfs/dbraw/zinc/58/06/04/603580604.db2.gz ZKVXESIICRTDPN-LLVKDONJSA-N 0 2 370.793 2.261 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c(C)c1 ZINC000822259138 607154558 /nfs/dbraw/zinc/15/45/58/607154558.db2.gz NMROLJZYZHKSNV-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN Cn1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n1 ZINC000560881421 674623289 /nfs/dbraw/zinc/62/32/89/674623289.db2.gz PDGCKLYAPPKBGV-UHFFFAOYSA-N 0 2 364.774 2.174 20 5 FEBDLN O=C(Nc1nnc(C2CCOCC2)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000581627802 671919308 /nfs/dbraw/zinc/91/93/08/671919308.db2.gz YBDWCMCZINQJIB-UHFFFAOYSA-N 0 2 350.356 2.298 20 5 FEBDLN CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583383700 672090055 /nfs/dbraw/zinc/09/00/55/672090055.db2.gz PUFDDELTFUZNSD-UHFFFAOYSA-N 0 2 371.821 2.137 20 5 FEBDLN CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000583383700 672090056 /nfs/dbraw/zinc/09/00/56/672090056.db2.gz PUFDDELTFUZNSD-UHFFFAOYSA-N 0 2 371.821 2.137 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)cc1 ZINC000195525509 672786689 /nfs/dbraw/zinc/78/66/89/672786689.db2.gz DQMHEVCSHZQAQS-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN CSc1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000536754601 673380247 /nfs/dbraw/zinc/38/02/47/673380247.db2.gz AVPWECGYLJMZMG-UHFFFAOYSA-N 0 2 357.388 2.329 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000742026328 673704134 /nfs/dbraw/zinc/70/41/34/673704134.db2.gz BJGYJSSMIFRYNB-UHFFFAOYSA-N 0 2 371.321 2.081 20 5 FEBDLN Cc1nonc1CNS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000742324937 673722503 /nfs/dbraw/zinc/72/25/03/673722503.db2.gz ARSXSIOCUAVQSD-UHFFFAOYSA-N 0 2 367.170 2.072 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000566738333 675238981 /nfs/dbraw/zinc/23/89/81/675238981.db2.gz WPVROEFJFXZGAV-UHFFFAOYSA-N 0 2 370.456 2.476 20 5 FEBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Nc1nnc(C2CC2)o1 ZINC000829818557 677013977 /nfs/dbraw/zinc/01/39/77/677013977.db2.gz YIUGLBDCSQUVEK-UHFFFAOYSA-N 0 2 362.726 2.449 20 5 FEBDLN O=C(Nc1nccn1Cc1ccc(Br)cc1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839699483 680772882 /nfs/dbraw/zinc/77/28/82/680772882.db2.gz BPCIVWSCZOAILK-VXGBXAGGSA-N 0 2 365.187 2.298 20 5 FEBDLN Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1NS(C)(=O)=O ZINC000753701730 680310229 /nfs/dbraw/zinc/31/02/29/680310229.db2.gz FCTXAJXBZYMWDQ-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000769621404 680989344 /nfs/dbraw/zinc/98/93/44/680989344.db2.gz OZLCJWBPARROGF-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN CCn1nccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000790639511 682690327 /nfs/dbraw/zinc/69/03/27/682690327.db2.gz OFIZPVYBCLWDKY-UHFFFAOYSA-N 0 2 369.359 2.137 20 5 FEBDLN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000856376495 682772289 /nfs/dbraw/zinc/77/22/89/682772289.db2.gz NEDOBIHCIMNTMW-SNVBAGLBSA-N 0 2 353.375 2.286 20 5 FEBDLN CNC(=O)Oc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000793454290 682890365 /nfs/dbraw/zinc/89/03/65/682890365.db2.gz YFBUCNXIXJJATF-UHFFFAOYSA-N 0 2 357.369 2.175 20 5 FEBDLN O=C(NCCNc1ncnc2sccc21)c1cc(O)ccc1[N+](=O)[O-] ZINC000795344793 683042302 /nfs/dbraw/zinc/04/23/02/683042302.db2.gz JXPUASHRBYRDII-UHFFFAOYSA-N 0 2 359.367 2.147 20 5 FEBDLN Cn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)n1 ZINC000485118368 851576479 /nfs/dbraw/zinc/57/64/79/851576479.db2.gz DSOWOZHZAMTIAA-UHFFFAOYSA-N 0 2 353.298 2.112 20 5 FEBDLN CN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000008962416 539495994 /nfs/dbraw/zinc/49/59/94/539495994.db2.gz UKEFLDHMXCGCSE-UHFFFAOYSA-N 0 2 361.379 2.305 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000551018734 674120163 /nfs/dbraw/zinc/12/01/63/674120163.db2.gz OJIOUMITJKHHBX-UHFFFAOYSA-N 0 2 354.388 2.121 20 5 FEBDLN Cc1ccc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1 ZINC000055582493 205222298 /nfs/dbraw/zinc/22/22/98/205222298.db2.gz FJGZKMNHAJILTQ-UHFFFAOYSA-N 0 2 369.374 2.247 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(CN2CCOCC2)c1 ZINC000092545907 542870087 /nfs/dbraw/zinc/87/00/87/542870087.db2.gz AYHCBKPZZKSOQM-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)c([N+](=O)[O-])c1 ZINC000130511514 544154034 /nfs/dbraw/zinc/15/40/34/544154034.db2.gz IIUVIGBZXQXGJF-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CCn1nnnc1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000154507792 544914199 /nfs/dbraw/zinc/91/41/99/544914199.db2.gz OWORUYCXSLUZRM-UHFFFAOYSA-N 0 2 374.382 2.069 20 5 FEBDLN O=C(CCCNC(=O)c1cc([N+](=O)[O-])ccc1O)N1CCc2ccccc21 ZINC000179492879 327646202 /nfs/dbraw/zinc/64/62/02/327646202.db2.gz RXHHKOJDGACKCK-UHFFFAOYSA-N 0 2 369.377 2.400 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000195426495 328476564 /nfs/dbraw/zinc/47/65/64/328476564.db2.gz XCBLOQDTKSKQBO-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000117973423 326075967 /nfs/dbraw/zinc/07/59/67/326075967.db2.gz WFKKKBJBESHUPV-ZDUSSCGKSA-N 0 2 359.386 2.493 20 5 FEBDLN O=C(NCc1ccccc1CN1CCCC1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000119488365 326168452 /nfs/dbraw/zinc/16/84/52/326168452.db2.gz HRKHEFDKJCQVSH-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN CCCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)[nH]n1 ZINC000159934951 326947558 /nfs/dbraw/zinc/94/75/58/326947558.db2.gz DBPMLDCAXSDDMG-UHFFFAOYSA-N 0 2 354.388 2.470 20 5 FEBDLN Cc1csc(N2CCCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000367145979 330222500 /nfs/dbraw/zinc/22/25/00/330222500.db2.gz UVRSPXMVFVMGTR-UHFFFAOYSA-N 0 2 362.411 2.418 20 5 FEBDLN CC(C)(C(N)=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000158241699 545839065 /nfs/dbraw/zinc/83/90/65/545839065.db2.gz PLEDTDUUMAEFJO-UHFFFAOYSA-N 0 2 363.395 2.159 20 5 FEBDLN Cc1occc1C(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181968247 547414743 /nfs/dbraw/zinc/41/47/43/547414743.db2.gz ODENNQRVIWGRSM-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN COc1ccccc1C[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000181973455 547415019 /nfs/dbraw/zinc/41/50/19/547415019.db2.gz SYINSEXEABPHFL-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183899534 547736492 /nfs/dbraw/zinc/73/64/92/547736492.db2.gz AMIRLUAYPPXMHQ-UHFFFAOYSA-N 0 2 357.366 2.330 20 5 FEBDLN NC(=O)c1ccc(NCc2nnc(COc3ccccc3)[nH]2)c([N+](=O)[O-])c1 ZINC000184778149 547878221 /nfs/dbraw/zinc/87/82/21/547878221.db2.gz WNBSPYDLASFPBV-UHFFFAOYSA-N 0 2 368.353 2.003 20 5 FEBDLN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000186901958 548215715 /nfs/dbraw/zinc/21/57/15/548215715.db2.gz STFYSIPZCSTJKE-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000488234353 561386708 /nfs/dbraw/zinc/38/67/08/561386708.db2.gz SIVGZPKPPFGBPE-UHFFFAOYSA-N 0 2 370.314 2.272 20 5 FEBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000491130146 561443250 /nfs/dbraw/zinc/44/32/50/561443250.db2.gz BHOFISROPPVOPB-UHFFFAOYSA-N 0 2 355.759 2.148 20 5 FEBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000277414584 550667741 /nfs/dbraw/zinc/66/77/41/550667741.db2.gz GBCQLGBDYJXQSG-UHFFFAOYSA-N 0 2 367.711 2.322 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc(N2CCCC2)n1 ZINC000278653363 550808228 /nfs/dbraw/zinc/80/82/28/550808228.db2.gz WGKVEMRHJMYLRG-UHFFFAOYSA-N 0 2 363.399 2.094 20 5 FEBDLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278899039 550833944 /nfs/dbraw/zinc/83/39/44/550833944.db2.gz QQIYDQSTDDWTEF-GFCCVEGCSA-N 0 2 370.362 2.120 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000281316415 551084118 /nfs/dbraw/zinc/08/41/18/551084118.db2.gz ZOAPCJZSMMFZMU-UHFFFAOYSA-N 0 2 372.378 2.400 20 5 FEBDLN CC(=O)NCc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000497945947 561512050 /nfs/dbraw/zinc/51/20/50/561512050.db2.gz GKMSVJANSSILKU-UHFFFAOYSA-N 0 2 363.395 2.340 20 5 FEBDLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000285110379 551706053 /nfs/dbraw/zinc/70/60/53/551706053.db2.gz ODJUDYKACYJEJA-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000503596533 561645212 /nfs/dbraw/zinc/64/52/12/561645212.db2.gz RQKKCOVYDUQHOX-LRDDRELGSA-N 0 2 360.370 2.338 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(C)c1 ZINC000326275813 553779673 /nfs/dbraw/zinc/77/96/73/553779673.db2.gz KZMFVNOHFNLCEI-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000326549830 553781705 /nfs/dbraw/zinc/78/17/05/553781705.db2.gz WCJAAWTYLSUIMR-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cncc(C(=O)OC)c1 ZINC000507103270 561717551 /nfs/dbraw/zinc/71/75/51/561717551.db2.gz LSQJMBCDAVKRLV-UHFFFAOYSA-N 0 2 365.367 2.140 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)c([N+](=O)[O-])c1 ZINC000509623344 561807794 /nfs/dbraw/zinc/80/77/94/561807794.db2.gz VEJRAZQYWJKDTP-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000360349356 554872218 /nfs/dbraw/zinc/87/22/18/554872218.db2.gz ZUAFXKMSFJADRE-SNVBAGLBSA-N 0 2 356.791 2.327 20 5 FEBDLN Cc1nc(CO[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cs1 ZINC000365565912 555610912 /nfs/dbraw/zinc/61/09/12/555610912.db2.gz ZLRRLHNGZWDMHR-ZDUSSCGKSA-N 0 2 363.395 2.497 20 5 FEBDLN CCc1cc(N2CCC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)ncn1 ZINC000367602006 556094668 /nfs/dbraw/zinc/09/46/68/556094668.db2.gz QYGHWQPDWABZLG-ZDUSSCGKSA-N 0 2 371.397 2.052 20 5 FEBDLN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cccc1N1CN=NC1=O ZINC000367906223 556169113 /nfs/dbraw/zinc/16/91/13/556169113.db2.gz GEVUOBDNZQELHN-UHFFFAOYSA-N 0 2 355.310 2.147 20 5 FEBDLN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000517021127 562071818 /nfs/dbraw/zinc/07/18/18/562071818.db2.gz JYSCMWCLDNJTKC-WFASDCNBSA-N 0 2 372.377 2.451 20 5 FEBDLN Cc1c(-c2ccncc2)n[nH]c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000371317973 557143797 /nfs/dbraw/zinc/14/37/97/557143797.db2.gz UQBMHMAZRSGHPB-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000372190091 557404390 /nfs/dbraw/zinc/40/43/90/557404390.db2.gz BJBJYLWUHYKSCB-UHFFFAOYSA-N 0 2 357.301 2.581 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000373835191 557769721 /nfs/dbraw/zinc/76/97/21/557769721.db2.gz JVTPKUSQPXBGCX-GFCCVEGCSA-N 0 2 367.365 2.363 20 5 FEBDLN CCCOc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000520776889 562163502 /nfs/dbraw/zinc/16/35/02/562163502.db2.gz ZYMFKQJHDFEBGN-UHFFFAOYSA-N 0 2 369.374 2.396 20 5 FEBDLN CN(C(=O)[C@@H]1CC12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2)C1CC1 ZINC000376088804 558125436 /nfs/dbraw/zinc/12/54/36/558125436.db2.gz NDRAVFMCYUDIQU-HNNXBMFYSA-N 0 2 373.409 2.164 20 5 FEBDLN COC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000376091321 558125592 /nfs/dbraw/zinc/12/55/92/558125592.db2.gz IUQKTRFTSXCXSD-UKRRQHHQSA-N 0 2 356.334 2.432 20 5 FEBDLN O=C(NCc1noc(-c2cccc(F)c2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376958309 558244332 /nfs/dbraw/zinc/24/43/32/558244332.db2.gz PEAZIYDSGPJOHM-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000436665829 559948110 /nfs/dbraw/zinc/94/81/10/559948110.db2.gz PWHBIPCRQIAJHL-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC(=O)N1Cc1ccccc1 ZINC000436784335 559952141 /nfs/dbraw/zinc/95/21/41/559952141.db2.gz WVJNPSQXWAUNJP-WBMJQRKESA-N 0 2 369.377 2.220 20 5 FEBDLN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000436864306 559954624 /nfs/dbraw/zinc/95/46/24/559954624.db2.gz NKUGQBRCVIHUAQ-IBGZPJMESA-N 0 2 370.361 2.257 20 5 FEBDLN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1OC ZINC000436901110 559955832 /nfs/dbraw/zinc/95/58/32/559955832.db2.gz PZNSGGNZQDBYRP-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN CC(C)(C)C(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C(C)(C)C1 ZINC000436960083 559957418 /nfs/dbraw/zinc/95/74/18/559957418.db2.gz PJIINSFNXXQVBR-UHFFFAOYSA-N 0 2 363.414 2.410 20 5 FEBDLN COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436980037 559958410 /nfs/dbraw/zinc/95/84/10/559958410.db2.gz MBBHGXRNKOYOKR-MRXNPFEDSA-N 0 2 356.334 2.213 20 5 FEBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2cnc3n2CCC3)c1 ZINC000437680848 559967705 /nfs/dbraw/zinc/96/77/05/559967705.db2.gz HYYQTWMKGKFJKR-UHFFFAOYSA-N 0 2 374.325 2.140 20 5 FEBDLN O=C(NCc1ncn(Cc2cccc(F)c2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000444545346 560115335 /nfs/dbraw/zinc/11/53/35/560115335.db2.gz KNNKIPGUVVEQTR-UHFFFAOYSA-N 0 2 371.328 2.009 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1[C@H]1CCOC1 ZINC000451100232 560287165 /nfs/dbraw/zinc/28/71/65/560287165.db2.gz RFMFOISWJLVUFZ-ZDUSSCGKSA-N 0 2 366.399 2.170 20 5 FEBDLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000463472262 560816291 /nfs/dbraw/zinc/81/62/91/560816291.db2.gz UMYIMDBJKVRRRF-UHFFFAOYSA-N 0 2 364.383 2.082 20 5 FEBDLN Cc1c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000469091366 560947021 /nfs/dbraw/zinc/94/70/21/560947021.db2.gz ZCNUQLAZFQJMTH-UHFFFAOYSA-N 0 2 368.349 2.351 20 5 FEBDLN CN1CCc2ccc(S(=O)(=O)Nc3n[nH]c4ccc([N+](=O)[O-])cc43)cc21 ZINC000535388903 562557550 /nfs/dbraw/zinc/55/75/50/562557550.db2.gz WCNAOWLWGRPVOX-UHFFFAOYSA-N 0 2 373.394 2.264 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1F ZINC000556928071 674428455 /nfs/dbraw/zinc/42/84/55/674428455.db2.gz OERZSWRICRCIAC-UHFFFAOYSA-N 0 2 368.342 2.236 20 5 FEBDLN CN(C(=O)[O-])C1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000737938719 602530223 /nfs/dbraw/zinc/53/02/23/602530223.db2.gz HPLKQZGTMBGXGJ-UHFFFAOYSA-N 0 2 370.793 2.261 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739179681 602794700 /nfs/dbraw/zinc/79/47/00/602794700.db2.gz NDHLUAGIEDIJAP-MWLCHTKSSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739179681 602794701 /nfs/dbraw/zinc/79/47/01/602794701.db2.gz NDHLUAGIEDIJAP-MWLCHTKSSA-N 0 2 370.793 2.165 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000826451748 608166810 /nfs/dbraw/zinc/16/68/10/608166810.db2.gz VGWBPZPGEICRKO-UHFFFAOYSA-N 0 2 362.252 2.011 20 5 FEBDLN CCn1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC)c1C ZINC000573608251 671142931 /nfs/dbraw/zinc/14/29/31/671142931.db2.gz HXXADNXIPMGNON-UHFFFAOYSA-N 0 2 353.404 2.271 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c1F ZINC000121579176 671953202 /nfs/dbraw/zinc/95/32/02/671953202.db2.gz VHBNBVDQOUSVRT-UHFFFAOYSA-N 0 2 365.342 2.338 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000611165258 676021944 /nfs/dbraw/zinc/02/19/44/676021944.db2.gz FYQAAHCEEZQTEV-CYBMUJFWSA-N 0 2 365.411 2.331 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)CCOC2 ZINC000594696712 673118142 /nfs/dbraw/zinc/11/81/42/673118142.db2.gz MAJUQZFRRCIABM-UHFFFAOYSA-N 0 2 364.379 2.477 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)nn1C ZINC000596045362 673353227 /nfs/dbraw/zinc/35/32/27/673353227.db2.gz NNRLNOHFRZISLW-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1cc(N2CCC(c3n[nH]c(=O)[nH]3)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596221299 673369174 /nfs/dbraw/zinc/36/91/74/673369174.db2.gz ACMTVCCZPXMVEP-UHFFFAOYSA-N 0 2 353.766 2.465 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000597442609 673478125 /nfs/dbraw/zinc/47/81/25/673478125.db2.gz MKWAPVMQJHMEKZ-NXEZZACHSA-N 0 2 364.276 2.223 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)nc1OC ZINC000604471182 675805197 /nfs/dbraw/zinc/80/51/97/675805197.db2.gz COTTZOXQCXNECY-UHFFFAOYSA-N 0 2 367.383 2.370 20 5 FEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(I)c2)no1 ZINC000842487298 680950655 /nfs/dbraw/zinc/95/06/55/680950655.db2.gz JVFTWZZOJVILSV-RKDXNWHRSA-N 0 2 357.107 2.474 20 5 FEBDLN O=C(COC(=O)c1cc(F)c(O)c(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000748483412 679968183 /nfs/dbraw/zinc/96/81/83/679968183.db2.gz SFBKPAJUWPYYTO-UHFFFAOYSA-N 0 2 352.249 2.374 20 5 FEBDLN CC(C)Oc1cc(C(=O)NCCc2n[nH]c(=S)o2)ccc1[N+](=O)[O-] ZINC000841423238 680880147 /nfs/dbraw/zinc/88/01/47/680880147.db2.gz WQFGIFAWGRGLOX-UHFFFAOYSA-N 0 2 352.372 2.026 20 5 FEBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000768508354 680948640 /nfs/dbraw/zinc/94/86/40/680948640.db2.gz MEZJFDDNBKDZRJ-UHFFFAOYSA-N 0 2 359.360 2.004 20 5 FEBDLN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000776196564 681371290 /nfs/dbraw/zinc/37/12/90/681371290.db2.gz IVIWKJYKUDWMAH-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN Cn1ncc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000780425461 681826501 /nfs/dbraw/zinc/82/65/01/681826501.db2.gz OJCNZSFRVNOGRW-UHFFFAOYSA-N 0 2 356.307 2.209 20 5 FEBDLN Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3[N+](=O)[O-])cn2n1 ZINC000797430403 683250141 /nfs/dbraw/zinc/25/01/41/683250141.db2.gz FDNZCWWVCGYMKM-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nccc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000863448739 683728273 /nfs/dbraw/zinc/72/82/73/683728273.db2.gz BDESTMNZBQVWLP-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN C[C@H](CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000863687012 683761709 /nfs/dbraw/zinc/76/17/09/683761709.db2.gz FCRGFTSGRUPXLF-SNVBAGLBSA-N 0 2 353.375 2.286 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)COc1cc([N+](=O)[O-])ccc1Cl ZINC000865358611 683973253 /nfs/dbraw/zinc/97/32/53/683973253.db2.gz HTCRZUBSGYXUOA-UHFFFAOYSA-N 0 2 354.668 2.265 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)COc1cc(F)c(Cl)cc1[N+](=O)[O-] ZINC000865366710 683974302 /nfs/dbraw/zinc/97/43/02/683974302.db2.gz RLMFPANWVZSNFX-UHFFFAOYSA-N 0 2 372.658 2.404 20 5 FEBDLN Cc1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1[N+](=O)[O-] ZINC000022184620 539691940 /nfs/dbraw/zinc/69/19/40/539691940.db2.gz DDZYTUFWNKSBPY-UHFFFAOYSA-N 0 2 358.379 2.473 20 5 FEBDLN O=C(NCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(Cl)cc1 ZINC000026412643 539786512 /nfs/dbraw/zinc/78/65/12/539786512.db2.gz SYKMZKSELBUKSJ-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000055578829 540660976 /nfs/dbraw/zinc/66/09/76/540660976.db2.gz JYUOZDWKLQMVFW-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000083577552 542699286 /nfs/dbraw/zinc/69/92/86/542699286.db2.gz FPJMAAOHSZMNAM-UHFFFAOYSA-N 0 2 362.367 2.291 20 5 FEBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OCc1ccc(Cl)cc1 ZINC000803103368 674222793 /nfs/dbraw/zinc/22/27/93/674222793.db2.gz YHMJGKFTNWPEAB-UHFFFAOYSA-N 0 2 364.741 2.427 20 5 FEBDLN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1O ZINC000185887470 327937418 /nfs/dbraw/zinc/93/74/18/327937418.db2.gz LAVCNKVLGLGRKH-GFCCVEGCSA-N 0 2 355.350 2.115 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000187963119 328056869 /nfs/dbraw/zinc/05/68/69/328056869.db2.gz XJNGKJSEYSBSAE-LLVKDONJSA-N 0 2 354.388 2.108 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189236340 328136552 /nfs/dbraw/zinc/13/65/52/328136552.db2.gz ODIKFWQVRHYAFS-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN COCCn1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cn1 ZINC000121704315 326359292 /nfs/dbraw/zinc/35/92/92/326359292.db2.gz UBXMSEOKMTVGJQ-UHFFFAOYSA-N 0 2 374.806 2.200 20 5 FEBDLN CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262899562 328898867 /nfs/dbraw/zinc/89/88/67/328898867.db2.gz HZPJQIKDNVKZCS-KRWDZBQOSA-N 0 2 360.370 2.400 20 5 FEBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000477402356 561144062 /nfs/dbraw/zinc/14/40/62/561144062.db2.gz PPDMJSFWAFNECO-UHFFFAOYSA-N 0 2 364.379 2.420 20 5 FEBDLN Cn1cc(NC(=O)c2cc([N+](=O)[O-])ccc2O)cc(Br)c1=O ZINC000179542422 546974818 /nfs/dbraw/zinc/97/48/18/546974818.db2.gz MFNKFDLRHGATHR-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000182568606 547515150 /nfs/dbraw/zinc/51/51/50/547515150.db2.gz XYDOLBUCPILMSJ-UHFFFAOYSA-N 0 2 351.388 2.492 20 5 FEBDLN O=C(NCCNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000184653243 547860897 /nfs/dbraw/zinc/86/08/97/547860897.db2.gz BEOOMYFAKRUBQA-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc([N+](=O)[O-])cc1O ZINC000184931918 547902337 /nfs/dbraw/zinc/90/23/37/547902337.db2.gz UZVXKIYENIHLOX-UHFFFAOYSA-N 0 2 374.378 2.470 20 5 FEBDLN COc1cccc(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1O ZINC000488277638 561387451 /nfs/dbraw/zinc/38/74/51/561387451.db2.gz KQJDHFYNCFIAQE-UHFFFAOYSA-N 0 2 372.330 2.258 20 5 FEBDLN CCn1cc(-c2nn(C)cc2C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000489950517 561423130 /nfs/dbraw/zinc/42/31/30/561423130.db2.gz WDMYSKPCKHWADK-UHFFFAOYSA-N 0 2 356.342 2.170 20 5 FEBDLN CSc1nc(C)c(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(=O)[nH]1 ZINC000270427486 550271732 /nfs/dbraw/zinc/27/17/32/550271732.db2.gz URAXRBPMVAYTMB-UHFFFAOYSA-N 0 2 364.383 2.398 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2c(C)noc2C)c(C)c([N+](=O)[O-])c1 ZINC000277028213 550623692 /nfs/dbraw/zinc/62/36/92/550623692.db2.gz KAHPPYIGTCNSCF-UHFFFAOYSA-N 0 2 369.355 2.095 20 5 FEBDLN CCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000278346060 550775569 /nfs/dbraw/zinc/77/55/69/550775569.db2.gz HZNQJTIKGHYZOJ-UHFFFAOYSA-N 0 2 356.360 2.130 20 5 FEBDLN Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)cc1 ZINC000281038583 551057167 /nfs/dbraw/zinc/05/71/67/551057167.db2.gz WACPVFLDYDBYLW-UHFFFAOYSA-N 0 2 369.377 2.207 20 5 FEBDLN COCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000285218472 551722312 /nfs/dbraw/zinc/72/23/12/551722312.db2.gz XQDIRGHDMYYTJK-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(O)ccc1[N+](=O)[O-] ZINC000499635348 561555092 /nfs/dbraw/zinc/55/50/92/561555092.db2.gz JRJOSAXAJDITJJ-UHFFFAOYSA-N 0 2 354.322 2.323 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)cc1[N+](=O)[O-] ZINC000500320500 561570171 /nfs/dbraw/zinc/57/01/71/561570171.db2.gz YXZKBMQWSBQVMX-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)OCCc2ccccc21 ZINC000291295297 552611704 /nfs/dbraw/zinc/61/17/04/552611704.db2.gz RUMYGMYCLONWGB-IBGZPJMESA-N 0 2 372.377 2.145 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)s1 ZINC000292299558 552713379 /nfs/dbraw/zinc/71/33/79/552713379.db2.gz KGXHYOGSBCHUNJ-UHFFFAOYSA-N 0 2 371.440 2.478 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000295430201 553005544 /nfs/dbraw/zinc/00/55/44/553005544.db2.gz ZBGUJGFYQJVJQR-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000331996558 554360352 /nfs/dbraw/zinc/36/03/52/554360352.db2.gz XABKIFGZTIJQJI-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(N=c1ccc(C2CC2)n[nH]1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609693603 554412984 /nfs/dbraw/zinc/41/29/84/554412984.db2.gz FAKWUVHJTNGWNL-GFCCVEGCSA-N 0 2 371.353 2.099 20 5 FEBDLN CN(C(=O)[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000367527623 556074299 /nfs/dbraw/zinc/07/42/99/556074299.db2.gz QLJKLTYXAWYEMJ-CYBMUJFWSA-N 0 2 369.377 2.426 20 5 FEBDLN CN(CCn1cc(Br)cn1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000515930049 562025880 /nfs/dbraw/zinc/02/58/80/562025880.db2.gz VXOCNECRIKTPLX-UHFFFAOYSA-N 0 2 369.175 2.032 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000371207275 557107686 /nfs/dbraw/zinc/10/76/86/557107686.db2.gz CTFZXGVFSZTYOM-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COc1ccccc1[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[NH2+]1 ZINC000374371562 557873633 /nfs/dbraw/zinc/87/36/33/557873633.db2.gz LFNDJPIWDGRBRH-OAHLLOKOSA-N 0 2 357.366 2.096 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000375681415 558067008 /nfs/dbraw/zinc/06/70/08/558067008.db2.gz VWYBCLDLIFJECP-ZDUSSCGKSA-N 0 2 361.398 2.165 20 5 FEBDLN COCC(=O)N1CCc2c1cccc2NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376010462 558113431 /nfs/dbraw/zinc/11/34/31/558113431.db2.gz UFKJYZFLOGGVNQ-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000376013648 558113935 /nfs/dbraw/zinc/11/39/35/558113935.db2.gz JCUYHEKKAZZCLG-UHFFFAOYSA-N 0 2 356.260 2.241 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000376322692 558157740 /nfs/dbraw/zinc/15/77/40/558157740.db2.gz RFWCQPTTZYQMFP-LLVKDONJSA-N 0 2 373.369 2.002 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000376829132 558226764 /nfs/dbraw/zinc/22/67/64/558226764.db2.gz SAGZJJGEOIIFJX-CYBMUJFWSA-N 0 2 361.398 2.165 20 5 FEBDLN CC1CCC2(CC1)OC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])O2 ZINC000377595562 558373100 /nfs/dbraw/zinc/37/31/00/558373100.db2.gz PHTVKUFLMIXAOP-OFKYTCTHSA-N 0 2 350.371 2.352 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414459780 559165454 /nfs/dbraw/zinc/16/54/54/559165454.db2.gz OWOOWOZNQNTIQF-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN Cn1cc[nH+]c1[C@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483971 559630036 /nfs/dbraw/zinc/63/00/36/559630036.db2.gz QMIYWPISPGLSHC-UONOGXRCSA-N 0 2 351.357 2.005 20 5 FEBDLN Cc1nn2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)cnc2c1Cl ZINC000432744438 559863886 /nfs/dbraw/zinc/86/38/86/559863886.db2.gz IVTDGDHUXBAFHI-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869974 559954979 /nfs/dbraw/zinc/95/49/79/559954979.db2.gz GAXDNLNOCQISAI-HNNXBMFYSA-N 0 2 355.350 2.226 20 5 FEBDLN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1ccccc1 ZINC000436874312 559955011 /nfs/dbraw/zinc/95/50/11/559955011.db2.gz SSAMWMOJKJQPFY-NHYWBVRUSA-N 0 2 355.350 2.224 20 5 FEBDLN COc1cc(OC)c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436887936 559955534 /nfs/dbraw/zinc/95/55/34/559955534.db2.gz YJOJVXLRJNJXMC-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436966949 559957672 /nfs/dbraw/zinc/95/76/72/559957672.db2.gz XJZIUDVIRISGON-UHFFFAOYSA-N 0 2 354.322 2.167 20 5 FEBDLN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436961798 559957703 /nfs/dbraw/zinc/95/77/03/559957703.db2.gz UWQRWQVSBHYSLE-ZDUSSCGKSA-N 0 2 368.386 2.167 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c([N+](=O)[O-])n1 ZINC000443406416 560083246 /nfs/dbraw/zinc/08/32/46/560083246.db2.gz DWCVDZCUNAPJLD-UHFFFAOYSA-N 0 2 371.444 2.337 20 5 FEBDLN O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000447259695 560158866 /nfs/dbraw/zinc/15/88/66/560158866.db2.gz WGGNQQNILIHBAG-UHFFFAOYSA-N 0 2 366.333 2.137 20 5 FEBDLN CC(C)Oc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C(N)=O ZINC000447679550 560166708 /nfs/dbraw/zinc/16/67/08/560166708.db2.gz KSMKCUVYJYOPKF-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1[N+](=O)[O-] ZINC000466968537 560900446 /nfs/dbraw/zinc/90/04/46/560900446.db2.gz ZCCMUWGCPCSRPZ-UHFFFAOYSA-N 0 2 369.424 2.467 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469641307 560960628 /nfs/dbraw/zinc/96/06/28/560960628.db2.gz JNYHCOGSWDKQHS-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)cn1 ZINC000473762177 561057379 /nfs/dbraw/zinc/05/73/79/561057379.db2.gz FDJHXDKEQVVLNC-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN C[C@@H](CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000237471957 599925618 /nfs/dbraw/zinc/92/56/18/599925618.db2.gz XBRVLVZTLFQCHZ-NSHDSACASA-N 0 2 358.354 2.106 20 5 FEBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@H](n2cc[nH+]c2)C1 ZINC000833307069 600813491 /nfs/dbraw/zinc/81/34/91/600813491.db2.gz KJUKCAGRYRLEAB-JTQLQIEISA-N 0 2 361.314 2.239 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738633167 601961645 /nfs/dbraw/zinc/96/16/45/601961645.db2.gz WRWPSSNCCXVWRG-NXEZZACHSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738633167 601961646 /nfs/dbraw/zinc/96/16/46/601961646.db2.gz WRWPSSNCCXVWRG-NXEZZACHSA-N 0 2 370.793 2.165 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000739582223 601980926 /nfs/dbraw/zinc/98/09/26/601980926.db2.gz BIKUPUKAHQFHIZ-ZDUSSCGKSA-N 0 2 351.359 2.036 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000739582223 601980929 /nfs/dbraw/zinc/98/09/29/601980929.db2.gz BIKUPUKAHQFHIZ-ZDUSSCGKSA-N 0 2 351.359 2.036 20 5 FEBDLN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662310 602538744 /nfs/dbraw/zinc/53/87/44/602538744.db2.gz ZCIPHUSRVMOXDC-SNVBAGLBSA-N 0 2 370.793 2.118 20 5 FEBDLN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662310 602538745 /nfs/dbraw/zinc/53/87/45/602538745.db2.gz ZCIPHUSRVMOXDC-SNVBAGLBSA-N 0 2 370.793 2.118 20 5 FEBDLN CCc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1 ZINC000821487530 607153658 /nfs/dbraw/zinc/15/36/58/607153658.db2.gz VWTIODQPGICJSZ-UHFFFAOYSA-N 0 2 374.382 2.138 20 5 FEBDLN O=C(CCc1ccc(-c2nn[nH]n2)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826408699 608015263 /nfs/dbraw/zinc/01/52/63/608015263.db2.gz RNHXFKJACOULRM-UHFFFAOYSA-N 0 2 354.326 2.052 20 5 FEBDLN C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000563124291 674848416 /nfs/dbraw/zinc/84/84/16/674848416.db2.gz ISMFBYXXFSNHLD-KOLCDFICSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000563124291 674848417 /nfs/dbraw/zinc/84/84/17/674848417.db2.gz ISMFBYXXFSNHLD-KOLCDFICSA-N 0 2 355.778 2.229 20 5 FEBDLN COCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1 ZINC000609690859 675932787 /nfs/dbraw/zinc/93/27/87/675932787.db2.gz IXGSYNHETZWSRE-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000581607677 671917136 /nfs/dbraw/zinc/91/71/36/671917136.db2.gz OYGOAEDFTOSVIK-UHFFFAOYSA-N 0 2 369.424 2.487 20 5 FEBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000134029010 672118639 /nfs/dbraw/zinc/11/86/39/672118639.db2.gz BNCXXIQRAWEOIV-UHFFFAOYSA-N 0 2 371.806 2.213 20 5 FEBDLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000536699481 673376700 /nfs/dbraw/zinc/37/67/00/673376700.db2.gz BVHLRJASPWMIID-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c(C)o1 ZINC000537652048 673399764 /nfs/dbraw/zinc/39/97/64/673399764.db2.gz NHMGKZQXTMDXKA-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000746053448 673862307 /nfs/dbraw/zinc/86/23/07/673862307.db2.gz BZPHDOLDTCATET-UHFFFAOYSA-N 0 2 353.312 2.318 20 5 FEBDLN C[C@](O)(C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)C(F)(F)F ZINC000548466817 673960954 /nfs/dbraw/zinc/96/09/54/673960954.db2.gz BAGFDBCTWSAHTP-AWEZNQCLSA-N 0 2 362.304 2.466 20 5 FEBDLN CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000770862294 681029917 /nfs/dbraw/zinc/02/99/17/681029917.db2.gz MQDLFDMOXOOQDF-UHFFFAOYSA-N 0 2 368.342 2.485 20 5 FEBDLN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000772836237 681114649 /nfs/dbraw/zinc/11/46/49/681114649.db2.gz VAGGNBJDRFFNCN-UHFFFAOYSA-N 0 2 353.375 2.334 20 5 FEBDLN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000773090351 681125315 /nfs/dbraw/zinc/12/53/15/681125315.db2.gz UPKHVYJHIWVCIT-QMMMGPOBSA-N 0 2 354.413 2.106 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000777665418 681519725 /nfs/dbraw/zinc/51/97/25/681519725.db2.gz IEBLRQNBAHWPKV-UHFFFAOYSA-N 0 2 358.357 2.030 20 5 FEBDLN CN(CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000788282012 682516909 /nfs/dbraw/zinc/51/69/09/682516909.db2.gz PXSRNMVLQYOZBO-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000861453519 683417063 /nfs/dbraw/zinc/41/70/63/683417063.db2.gz UIZBEVDBOJQWHT-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(OC)c1 ZINC000007708624 539464628 /nfs/dbraw/zinc/46/46/28/539464628.db2.gz QYHZFOMGNUOEHV-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C)c2)c([N+](=O)[O-])c1 ZINC000028195746 539827742 /nfs/dbraw/zinc/82/77/42/539827742.db2.gz JQXVUPBUPBEHPJ-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000055630757 540665594 /nfs/dbraw/zinc/66/55/94/540665594.db2.gz MYTBJHQSXZCLTP-ZDUSSCGKSA-N 0 2 366.399 2.080 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000055685731 540670974 /nfs/dbraw/zinc/67/09/74/540670974.db2.gz OOWKZSVVJFOGCC-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1[N+](=O)[O-] ZINC000066249895 541295341 /nfs/dbraw/zinc/29/53/41/541295341.db2.gz ZNJIAYBJGTVYSM-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN Cc1ccnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)c1 ZINC000069673655 541703617 /nfs/dbraw/zinc/70/36/17/541703617.db2.gz GGXVKFYEZDYQLW-UHFFFAOYSA-N 0 2 372.200 2.862 20 5 FEBDLN O=C(OCc1ccon1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386286 674125087 /nfs/dbraw/zinc/12/50/87/674125087.db2.gz FOVBPDLTZYPOJJ-UHFFFAOYSA-N 0 2 364.701 2.485 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2n[nH]c3ccc([N+](=O)[O-])cc32)cc1F ZINC000135529525 544350806 /nfs/dbraw/zinc/35/08/06/544350806.db2.gz NJPYWUIYUZGXHF-UHFFFAOYSA-N 0 2 366.330 2.420 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183709957 327831578 /nfs/dbraw/zinc/83/15/78/327831578.db2.gz DPOAIFGUSOENDY-LBPRGKRZSA-N 0 2 359.304 2.187 20 5 FEBDLN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000190140386 328190544 /nfs/dbraw/zinc/19/05/44/328190544.db2.gz OVSDMDISRFMSRZ-WFASDCNBSA-N 0 2 360.370 2.167 20 5 FEBDLN Cc1cc(C)n(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3O)cn2)n1 ZINC000194748365 328438533 /nfs/dbraw/zinc/43/85/33/328438533.db2.gz HHNOPLAJWAUVCS-UHFFFAOYSA-N 0 2 367.365 2.428 20 5 FEBDLN Cc1n[nH]cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000090231492 325357090 /nfs/dbraw/zinc/35/70/90/325357090.db2.gz WTPMEROIFACWOB-UHFFFAOYSA-N 0 2 350.278 2.446 20 5 FEBDLN COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000242897906 328543010 /nfs/dbraw/zinc/54/30/10/328543010.db2.gz GPTXZLQNCWVJAG-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130378843 326555982 /nfs/dbraw/zinc/55/59/82/326555982.db2.gz YWWHQFHRNRWXTH-QGZVFWFLSA-N 0 2 371.393 2.104 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)cc1[N+](=O)[O-] ZINC000131350579 326573283 /nfs/dbraw/zinc/57/32/83/326573283.db2.gz LMUKXCVOEBYGGR-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172316146 327195268 /nfs/dbraw/zinc/19/52/68/327195268.db2.gz BMBCTSMHHDMSFY-UHFFFAOYSA-N 0 2 359.360 2.064 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000267614647 329343390 /nfs/dbraw/zinc/34/33/90/329343390.db2.gz DIUFTCZMHLIKBO-UHFFFAOYSA-N 0 2 372.428 2.454 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000267634522 329345402 /nfs/dbraw/zinc/34/54/02/329345402.db2.gz IGYXKHQIFMCVCM-UHFFFAOYSA-N 0 2 373.372 2.108 20 5 FEBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nnc2n1CCCCC2 ZINC000267948932 329370874 /nfs/dbraw/zinc/37/08/74/329370874.db2.gz SWPNAGOBXHBWMW-LBPRGKRZSA-N 0 2 359.386 2.499 20 5 FEBDLN CCc1ccc([C@H](CO)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000156577705 545637358 /nfs/dbraw/zinc/63/73/58/545637358.db2.gz XKVWMWXKSYHBKI-AWEZNQCLSA-N 0 2 368.386 2.308 20 5 FEBDLN CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000158561293 545872193 /nfs/dbraw/zinc/87/21/93/545872193.db2.gz ABHRJEFYEVOKMA-UHFFFAOYSA-N 0 2 363.395 2.454 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)c1C ZINC000161677786 546132937 /nfs/dbraw/zinc/13/29/37/546132937.db2.gz QORZDOYSPIDGEG-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000172183554 546240313 /nfs/dbraw/zinc/24/03/13/546240313.db2.gz JXYYGBNXKAZHGH-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CN1CC[NH+](Cc2cccc(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c2)CC1 ZINC000179453020 546956565 /nfs/dbraw/zinc/95/65/65/546956565.db2.gz JMGWMJMFFRTXHV-UHFFFAOYSA-N 0 2 370.409 2.300 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000484625188 561301488 /nfs/dbraw/zinc/30/14/88/561301488.db2.gz UHVUERPPSVJPCG-UHFFFAOYSA-N 0 2 360.342 2.420 20 5 FEBDLN C[C@](NC(=O)c1ccc([N+](=O)[O-])cc1O)(C(N)=O)c1cccc(Cl)c1 ZINC000184850713 547887414 /nfs/dbraw/zinc/88/74/14/547887414.db2.gz SPLBVGQTKLYFDI-MRXNPFEDSA-N 0 2 363.757 2.084 20 5 FEBDLN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000185799950 548037804 /nfs/dbraw/zinc/03/78/04/548037804.db2.gz SEFGCTGBBCFTNE-MRXNPFEDSA-N 0 2 373.340 2.061 20 5 FEBDLN O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000493319410 561455463 /nfs/dbraw/zinc/45/54/63/561455463.db2.gz JODZELYUVDOACP-WFASDCNBSA-N 0 2 366.320 2.268 20 5 FEBDLN CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000283400986 551360460 /nfs/dbraw/zinc/36/04/60/551360460.db2.gz DUJAZSNTMVTPLW-UHFFFAOYSA-N 0 2 363.395 2.140 20 5 FEBDLN COC(=O)C(C)(C)c1csc(NC(=O)c2cccc(O)c2[N+](=O)[O-])n1 ZINC000293711686 552849506 /nfs/dbraw/zinc/84/95/06/552849506.db2.gz BEVMJBPGMAPJNJ-UHFFFAOYSA-N 0 2 365.367 2.460 20 5 FEBDLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000293752143 552852975 /nfs/dbraw/zinc/85/29/75/552852975.db2.gz SNVSUMJSEDDGCO-VXGBXAGGSA-N 0 2 363.414 2.408 20 5 FEBDLN Cc1nc(CN2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cs1 ZINC000505206731 561667999 /nfs/dbraw/zinc/66/79/99/561667999.db2.gz DDNRSRBDBZXVOH-UHFFFAOYSA-N 0 2 362.411 2.023 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)ccc1[N+](=O)[O-] ZINC000365278998 555530644 /nfs/dbraw/zinc/53/06/44/555530644.db2.gz NZIIHIXEIQMMBL-CYBMUJFWSA-N 0 2 366.399 2.080 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(C)c1-c1ccccn1 ZINC000366261193 555795565 /nfs/dbraw/zinc/79/55/65/555795565.db2.gz UYJUJVHRKOGHHE-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN C[C@@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000367632555 556101520 /nfs/dbraw/zinc/10/15/20/556101520.db2.gz DUFLHPXRFBKYGD-MLGOLLRUSA-N 0 2 369.377 2.220 20 5 FEBDLN COCC(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000369897908 556724751 /nfs/dbraw/zinc/72/47/51/556724751.db2.gz MIERNNUEDKARDC-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN COC(=O)COc1ccc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000521478765 562177258 /nfs/dbraw/zinc/17/72/58/562177258.db2.gz UQXQRNVXBHTMCM-UHFFFAOYSA-N 0 2 374.349 2.124 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000523535733 562214864 /nfs/dbraw/zinc/21/48/64/562214864.db2.gz IFFHLKUUOJFBHN-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000392478347 558617855 /nfs/dbraw/zinc/61/78/55/558617855.db2.gz ISOIPRRRWQAWGW-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccc(N(C)C)n2)c(C)cc1[N+](=O)[O-] ZINC000414436305 559163657 /nfs/dbraw/zinc/16/36/57/559163657.db2.gz AAPGGVGPKPLPCH-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN O=C(NC[C@@H](CO)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000436733709 559950350 /nfs/dbraw/zinc/95/03/50/559950350.db2.gz IRWUCLAIYKXXGZ-JTQLQIEISA-N 0 2 350.758 2.460 20 5 FEBDLN O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])cc1O ZINC000436860890 559954756 /nfs/dbraw/zinc/95/47/56/559954756.db2.gz IOHGKOZZBMBJCO-UHFFFAOYSA-N 0 2 362.313 2.279 20 5 FEBDLN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436999832 559959230 /nfs/dbraw/zinc/95/92/30/559959230.db2.gz RYPKHWBKDCCJGY-DZGCQCFKSA-N 0 2 366.320 2.268 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)c([N+](=O)[O-])c1 ZINC000555891611 674380216 /nfs/dbraw/zinc/38/02/16/674380216.db2.gz ROWNTRICZZSBEA-UHFFFAOYSA-N 0 2 356.385 2.133 20 5 FEBDLN CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496146 560231827 /nfs/dbraw/zinc/23/18/27/560231827.db2.gz ISVMFBBNSHCFMM-LJQANCHMSA-N 0 2 374.485 2.361 20 5 FEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000456644294 560527121 /nfs/dbraw/zinc/52/71/21/560527121.db2.gz OCTBDQJUBODNGG-NEPJUHHUSA-N 0 2 369.377 2.397 20 5 FEBDLN CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000457103581 560549139 /nfs/dbraw/zinc/54/91/39/560549139.db2.gz FDGGOZNMBADLHF-UHFFFAOYSA-N 0 2 365.367 2.139 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000461346322 560767476 /nfs/dbraw/zinc/76/74/76/560767476.db2.gz HLONTOVMHXNNKZ-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN CC(C)OCc1nc([C@@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000461393178 560769520 /nfs/dbraw/zinc/76/95/20/560769520.db2.gz ZPCFPYMMDMMYEW-SECBINFHSA-N 0 2 350.331 2.099 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000467766931 560916870 /nfs/dbraw/zinc/91/68/70/560916870.db2.gz FNPAEBIVFHEISJ-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(C)c1 ZINC000467773629 560916952 /nfs/dbraw/zinc/91/69/52/560916952.db2.gz RPNATTGGPFXNIP-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000475839250 561106745 /nfs/dbraw/zinc/10/67/45/561106745.db2.gz VQRXJMDZMKNIBX-UHFFFAOYSA-N 0 2 366.399 2.393 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c(C)o1 ZINC000533627147 562514735 /nfs/dbraw/zinc/51/47/35/562514735.db2.gz BSGPOYAQGOCYFH-UHFFFAOYSA-N 0 2 370.339 2.092 20 5 FEBDLN O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534593728 562537796 /nfs/dbraw/zinc/53/77/96/562537796.db2.gz VDXDVCKUOBUYHS-UHFFFAOYSA-N 0 2 366.333 2.137 20 5 FEBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000549728805 562638669 /nfs/dbraw/zinc/63/86/69/562638669.db2.gz BSIXIOJQSSFPQZ-UHFFFAOYSA-N 0 2 354.326 2.228 20 5 FEBDLN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549767807 562639369 /nfs/dbraw/zinc/63/93/69/562639369.db2.gz HAOJJDQCIGFKQJ-QMMMGPOBSA-N 0 2 351.750 2.092 20 5 FEBDLN COc1cc(C[N@@H+]2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593730979 598211734 /nfs/dbraw/zinc/21/17/34/598211734.db2.gz QCEJESRODYJXIB-SNVBAGLBSA-N 0 2 360.313 2.296 20 5 FEBDLN COc1cc(C[N@H+]2CCC[C@@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593730979 598211735 /nfs/dbraw/zinc/21/17/35/598211735.db2.gz QCEJESRODYJXIB-SNVBAGLBSA-N 0 2 360.313 2.296 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262670203 600140781 /nfs/dbraw/zinc/14/07/81/600140781.db2.gz PALRXLYFJUDWRK-NXEZZACHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262670203 600140783 /nfs/dbraw/zinc/14/07/83/600140783.db2.gz PALRXLYFJUDWRK-NXEZZACHSA-N 0 2 355.778 2.372 20 5 FEBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583386963 601025724 /nfs/dbraw/zinc/02/57/24/601025724.db2.gz TZKBWDOUBURYQB-GFCCVEGCSA-N 0 2 364.383 2.037 20 5 FEBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583386963 601025727 /nfs/dbraw/zinc/02/57/27/601025727.db2.gz TZKBWDOUBURYQB-GFCCVEGCSA-N 0 2 364.383 2.037 20 5 FEBDLN O=C([O-])C1(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000611463824 601598383 /nfs/dbraw/zinc/59/83/83/601598383.db2.gz HIFHOOGPTIQZFJ-UHFFFAOYSA-N 0 2 358.354 2.155 20 5 FEBDLN COc1cc(C[N@@H+]2CC[C@H](NC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739859303 605929778 /nfs/dbraw/zinc/92/97/78/605929778.db2.gz KQTZHABKPAZLPE-VIFPVBQESA-N 0 2 361.301 2.047 20 5 FEBDLN COc1cc(C[N@H+]2CC[C@H](NC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739859303 605929781 /nfs/dbraw/zinc/92/97/81/605929781.db2.gz KQTZHABKPAZLPE-VIFPVBQESA-N 0 2 361.301 2.047 20 5 FEBDLN Cn1nc([C@H]2CCCOC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000564972919 675083853 /nfs/dbraw/zinc/08/38/53/675083853.db2.gz NADVJWAZQBIXOB-NSHDSACASA-N 0 2 366.399 2.023 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cnc(Br)cn1 ZINC000091369646 670727027 /nfs/dbraw/zinc/72/70/27/670727027.db2.gz IJAITTZMAGWZRQ-UHFFFAOYSA-N 0 2 373.188 2.089 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cn2cncn2)cs1 ZINC000120206365 671919773 /nfs/dbraw/zinc/91/97/73/671919773.db2.gz JVVPXDPPBGAZBS-UHFFFAOYSA-N 0 2 365.396 2.097 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)cc1[N+](=O)[O-] ZINC000582578811 672015041 /nfs/dbraw/zinc/01/50/41/672015041.db2.gz VNIKVOQIFQWJFI-UHFFFAOYSA-N 0 2 365.323 2.251 20 5 FEBDLN COC[C@](C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000583949834 672141820 /nfs/dbraw/zinc/14/18/20/672141820.db2.gz VEXDFZMMXJMAJP-HNNXBMFYSA-N 0 2 351.384 2.298 20 5 FEBDLN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000612423386 676081515 /nfs/dbraw/zinc/08/15/15/676081515.db2.gz QTYWAPHHELTBKO-NSHDSACASA-N 0 2 350.352 2.396 20 5 FEBDLN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593750909 672987457 /nfs/dbraw/zinc/98/74/57/672987457.db2.gz CJNZMARXROJVRN-ZDUSSCGKSA-N 0 2 358.276 2.310 20 5 FEBDLN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593750909 672987461 /nfs/dbraw/zinc/98/74/61/672987461.db2.gz CJNZMARXROJVRN-ZDUSSCGKSA-N 0 2 358.276 2.310 20 5 FEBDLN CCS(=O)(=O)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536198288 673363796 /nfs/dbraw/zinc/36/37/96/673363796.db2.gz QCOJYDUSHRDMCD-UHFFFAOYSA-N 0 2 350.352 2.346 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1S(C)(=O)=O ZINC000538132740 673423446 /nfs/dbraw/zinc/42/34/46/673423446.db2.gz SQPNZSQJHRSRFI-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN COC(=O)c1ccnc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC000543642992 673658200 /nfs/dbraw/zinc/65/82/00/673658200.db2.gz VQEMJQQUGIEKIE-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000600703293 673793243 /nfs/dbraw/zinc/79/32/43/673793243.db2.gz QBJNJOZLOHLDPS-ONGXEEELSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000600703293 673793246 /nfs/dbraw/zinc/79/32/46/673793246.db2.gz QBJNJOZLOHLDPS-ONGXEEELSA-N 0 2 355.778 2.229 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000619507088 676382478 /nfs/dbraw/zinc/38/24/78/676382478.db2.gz AURZCYOBRKROLA-UHFFFAOYSA-N 0 2 372.428 2.454 20 5 FEBDLN CCCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)o1 ZINC000619507746 676382655 /nfs/dbraw/zinc/38/26/55/676382655.db2.gz KAJDEUJOUWRMCR-UHFFFAOYSA-N 0 2 356.360 2.130 20 5 FEBDLN Cn1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(-c2ccccn2)n1 ZINC000768862280 680962055 /nfs/dbraw/zinc/96/20/55/680962055.db2.gz SGTZSKRWIFBBDC-UHFFFAOYSA-N 0 2 365.396 2.253 20 5 FEBDLN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770857020 681029741 /nfs/dbraw/zinc/02/97/41/681029741.db2.gz OYVCMALIVGAXNW-CFDVYZKQSA-N 0 2 365.411 2.497 20 5 FEBDLN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770857027 681029763 /nfs/dbraw/zinc/02/97/63/681029763.db2.gz OYVCMALIVGAXNW-FSIMMPEJSA-N 0 2 365.411 2.497 20 5 FEBDLN CC(C)n1cnc(NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000844833184 681086926 /nfs/dbraw/zinc/08/69/26/681086926.db2.gz CTCNUPATSPJOMW-UHFFFAOYSA-N 0 2 363.758 2.361 20 5 FEBDLN O=C(N[C@H]1CCCc2cn[nH]c21)C(F)(F)Oc1ccc([N+](=O)[O-])cc1 ZINC000848586372 681584178 /nfs/dbraw/zinc/58/41/78/681584178.db2.gz YKCUOJAXYZMBGK-LBPRGKRZSA-N 0 2 352.297 2.483 20 5 FEBDLN COCCn1c(=O)cc(O)nc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000782308324 682027223 /nfs/dbraw/zinc/02/72/23/682027223.db2.gz LKXXKTDLSJZRDP-UHFFFAOYSA-N 0 2 371.802 2.449 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(F)c1 ZINC000794579491 682981440 /nfs/dbraw/zinc/98/14/40/682981440.db2.gz XZFVVBHCHQVYET-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000861507803 683425673 /nfs/dbraw/zinc/42/56/73/683425673.db2.gz HWKQRMLHCBQJOH-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2C(=O)CCC2=O)c1 ZINC000021028128 539679562 /nfs/dbraw/zinc/67/95/62/539679562.db2.gz NKMOJSRYQQITAJ-UHFFFAOYSA-N 0 2 355.306 2.206 20 5 FEBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000029433806 539852708 /nfs/dbraw/zinc/85/27/08/539852708.db2.gz KODVIPLVGKDJND-UHFFFAOYSA-N 0 2 373.337 2.078 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)s1 ZINC000055582488 540660949 /nfs/dbraw/zinc/66/09/49/540660949.db2.gz IQXYWFFFVWUNSS-UHFFFAOYSA-N 0 2 371.440 2.424 20 5 FEBDLN CCOC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000067593410 541485878 /nfs/dbraw/zinc/48/58/78/541485878.db2.gz JSWCODPDUKXBLK-OAHLLOKOSA-N 0 2 372.377 2.452 20 5 FEBDLN Cn1cnc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc21 ZINC000083577526 542699359 /nfs/dbraw/zinc/69/93/59/542699359.db2.gz JIEGJPNHCBDEAD-UHFFFAOYSA-N 0 2 350.331 2.421 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000091054386 542792372 /nfs/dbraw/zinc/79/23/72/542792372.db2.gz JHAZWGQKGJTKJT-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc([S@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000117739174 543639247 /nfs/dbraw/zinc/63/92/47/543639247.db2.gz ZNJVKGQFTODRBL-JOCHJYFZSA-N 0 2 354.409 2.441 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000124911639 543850849 /nfs/dbraw/zinc/85/08/49/543850849.db2.gz IGPYTEPMHVFRQM-UHFFFAOYSA-N 0 2 370.296 2.238 20 5 FEBDLN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183592745 327825642 /nfs/dbraw/zinc/82/56/42/327825642.db2.gz XNFIFYSBFQANCH-ZDUSSCGKSA-N 0 2 355.350 2.115 20 5 FEBDLN COc1ccc2c(c1)[nH]nc2NS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000195000251 328450710 /nfs/dbraw/zinc/45/07/10/328450710.db2.gz JYONFKNLVYNJNR-UHFFFAOYSA-N 0 2 362.367 2.422 20 5 FEBDLN Cc1nc(-c2cccc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)n[nH]1 ZINC000089898237 325340572 /nfs/dbraw/zinc/34/05/72/325340572.db2.gz RMYQERAMUDVLAG-UHFFFAOYSA-N 0 2 353.338 2.324 20 5 FEBDLN CN1C(=O)C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1c1ccccc1 ZINC000120085736 326228846 /nfs/dbraw/zinc/22/88/46/326228846.db2.gz JQBBJCVTKWZGMY-UGSOOPFHSA-N 0 2 369.377 2.250 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000151436120 326682430 /nfs/dbraw/zinc/68/24/30/326682430.db2.gz KNQSAHZAVJLJBW-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1C ZINC000162812409 327035362 /nfs/dbraw/zinc/03/53/62/327035362.db2.gz FPFYHAFZHFKACV-UHFFFAOYSA-N 0 2 361.379 2.256 20 5 FEBDLN Cn1nc2c(c1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CCC2 ZINC000270500912 329605915 /nfs/dbraw/zinc/60/59/15/329605915.db2.gz XNKAJHVPRBXRCK-UHFFFAOYSA-N 0 2 356.791 2.271 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000478674695 561172401 /nfs/dbraw/zinc/17/24/01/561172401.db2.gz HWASANLRYHTFEH-UHFFFAOYSA-N 0 2 350.352 2.339 20 5 FEBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nnc2ccccn21 ZINC000479783639 561197059 /nfs/dbraw/zinc/19/70/59/561197059.db2.gz WVFRMZSFKMWXNF-HNNXBMFYSA-N 0 2 355.354 2.470 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)cc1 ZINC000481887938 561244723 /nfs/dbraw/zinc/24/47/23/561244723.db2.gz ITGZEMKOWJPHAL-UHFFFAOYSA-N 0 2 360.351 2.369 20 5 FEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000182379164 547481999 /nfs/dbraw/zinc/48/19/99/547481999.db2.gz ZALJYSWWUSPGLS-UHFFFAOYSA-N 0 2 364.305 2.305 20 5 FEBDLN O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184660608 547861910 /nfs/dbraw/zinc/86/19/10/547861910.db2.gz ZZXPUYSSXVFLKW-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2ccc(F)cc21 ZINC000184767627 547876935 /nfs/dbraw/zinc/87/69/35/547876935.db2.gz NGGUIHAFVOYMKK-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NOC[C@H]1CCOC1 ZINC000188324656 548276042 /nfs/dbraw/zinc/27/60/42/548276042.db2.gz SJQPVFHIEKNTLB-AWEZNQCLSA-N 0 2 352.390 2.239 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000193136154 548381188 /nfs/dbraw/zinc/38/11/88/548381188.db2.gz JKNZJEHZYVZQLS-UHFFFAOYSA-N 0 2 358.379 2.473 20 5 FEBDLN Cc1ccc([C@H](C)NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1[N+](=O)[O-] ZINC000488061272 561382507 /nfs/dbraw/zinc/38/25/07/561382507.db2.gz CAFOPCBPKARMAD-VIFPVBQESA-N 0 2 369.337 2.144 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000270427652 550271647 /nfs/dbraw/zinc/27/16/47/550271647.db2.gz UZZVBYILBAGTGV-UHFFFAOYSA-N 0 2 362.386 2.167 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000273181203 550488872 /nfs/dbraw/zinc/48/88/72/550488872.db2.gz GNONXVONMWHJTE-GFCCVEGCSA-N 0 2 360.322 2.007 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C[C@H]2O ZINC000279240682 550868738 /nfs/dbraw/zinc/86/87/38/550868738.db2.gz KCEKDRUKOZOMMO-CQSZACIVSA-N 0 2 374.349 2.007 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000295961865 553081587 /nfs/dbraw/zinc/08/15/87/553081587.db2.gz JXSGXLXUCCFJQC-UHFFFAOYSA-N 0 2 358.807 2.191 20 5 FEBDLN COCCCn1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000296747430 553206530 /nfs/dbraw/zinc/20/65/30/553206530.db2.gz PJZLXIPYEXVJMI-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN CCOC(=O)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000508689809 561769632 /nfs/dbraw/zinc/76/96/32/561769632.db2.gz OJWYQRLNSWLUID-CQSZACIVSA-N 0 2 372.377 2.452 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)c([N+](=O)[O-])c1 ZINC000509633103 561807958 /nfs/dbraw/zinc/80/79/58/561807958.db2.gz CABHXTXDUNGXQU-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CN(C(=O)[C@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2)C1CC1 ZINC000363695611 555166260 /nfs/dbraw/zinc/16/62/60/555166260.db2.gz OGLHNVMQIMQQGG-OAHLLOKOSA-N 0 2 373.409 2.164 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000367548097 556079780 /nfs/dbraw/zinc/07/97/80/556079780.db2.gz CZRCUKWFRUBIAU-JKSUJKDBSA-N 0 2 370.361 2.329 20 5 FEBDLN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367710326 556120768 /nfs/dbraw/zinc/12/07/68/556120768.db2.gz WOYJUOADOAAOFK-ZDUSSCGKSA-N 0 2 361.398 2.211 20 5 FEBDLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368406741 556299195 /nfs/dbraw/zinc/29/91/95/556299195.db2.gz HBDYMTZEPYXSAT-JTQLQIEISA-N 0 2 352.297 2.252 20 5 FEBDLN Cc1ccc2c(n1)[nH]cc(C(=O)NCCOc1ccc([N+](=O)[O-])cc1)c2=O ZINC000518336866 562108883 /nfs/dbraw/zinc/10/88/83/562108883.db2.gz RJGRPCMVQJPZFR-UHFFFAOYSA-N 0 2 368.349 2.361 20 5 FEBDLN O=C([O-])C[C@@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000521880897 562185698 /nfs/dbraw/zinc/18/56/98/562185698.db2.gz JRMBZEPRXWDFPO-AWEZNQCLSA-N 0 2 363.414 2.118 20 5 FEBDLN C[NH+](C)[C@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCOc2ccccc21 ZINC000378427658 558554586 /nfs/dbraw/zinc/55/45/86/558554586.db2.gz YDOOOGYBOJPGIG-GOSISDBHSA-N 0 2 357.366 2.479 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414452586 559164699 /nfs/dbraw/zinc/16/46/99/559164699.db2.gz AMJVIRNSMIQNET-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nc(CN(C)C)cs2)ccc1[N+](=O)[O-] ZINC000414459989 559165487 /nfs/dbraw/zinc/16/54/87/559165487.db2.gz PQJFPBIDKXDLRB-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN CN(C)Cc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414464543 559166206 /nfs/dbraw/zinc/16/62/06/559166206.db2.gz YUEMIVJRUBPRCN-UHFFFAOYSA-N 0 2 360.392 2.053 20 5 FEBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)CCOCC2CC2)c2cccnc21 ZINC000424206689 559657788 /nfs/dbraw/zinc/65/77/88/559657788.db2.gz HWQIABPLXUMMFY-UHFFFAOYSA-N 0 2 351.384 2.311 20 5 FEBDLN C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424258966 559659558 /nfs/dbraw/zinc/65/95/58/559659558.db2.gz OINFGLYKCNAJSJ-ABAIWWIYSA-N 0 2 358.354 2.106 20 5 FEBDLN O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000430114694 559813475 /nfs/dbraw/zinc/81/34/75/559813475.db2.gz DOAYPZGQYZTPJL-RDTXWAMCSA-N 0 2 360.341 2.336 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)c([N+](=O)[O-])c1 ZINC000432958042 559868736 /nfs/dbraw/zinc/86/87/36/559868736.db2.gz DXFPGNDZNTWWES-CYBMUJFWSA-N 0 2 366.399 2.289 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n(C2CCOCC2)n1 ZINC000433370698 559878935 /nfs/dbraw/zinc/87/89/35/559878935.db2.gz IPGVPQLTCWMQNL-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN O=C(COc1ccc(O)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000435467883 559923862 /nfs/dbraw/zinc/92/38/62/559923862.db2.gz LQWNIQSNARJRKI-UHFFFAOYSA-N 0 2 355.310 2.103 20 5 FEBDLN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436587350 559945950 /nfs/dbraw/zinc/94/59/50/559945950.db2.gz YECVCPQRLTXMFS-LLVKDONJSA-N 0 2 366.320 2.160 20 5 FEBDLN COCc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(C(=O)OC)c1 ZINC000436727712 559950145 /nfs/dbraw/zinc/95/01/45/559950145.db2.gz BRIHVIJXJAUMFT-UHFFFAOYSA-N 0 2 360.322 2.486 20 5 FEBDLN COCC(=O)N1CCc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC000436826982 559953431 /nfs/dbraw/zinc/95/34/31/559953431.db2.gz MHIUPDVUICCXQV-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436862939 559954740 /nfs/dbraw/zinc/95/47/40/559954740.db2.gz GULBJAXMIFBXSB-UHFFFAOYSA-N 0 2 368.342 2.236 20 5 FEBDLN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436867589 559954846 /nfs/dbraw/zinc/95/48/46/559954846.db2.gz DAIMYKZQXUYQDB-UHFFFAOYSA-N 0 2 356.338 2.472 20 5 FEBDLN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436868197 559954987 /nfs/dbraw/zinc/95/49/87/559954987.db2.gz HIWNDSUAMQTHSN-UHFFFAOYSA-N 0 2 359.338 2.263 20 5 FEBDLN COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)OCCc2ccccc21 ZINC000436933480 559956795 /nfs/dbraw/zinc/95/67/95/559956795.db2.gz UFVZNVSTTNODBC-LJQANCHMSA-N 0 2 372.377 2.145 20 5 FEBDLN CN(C)C(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436952658 559957274 /nfs/dbraw/zinc/95/72/74/559957274.db2.gz YCWWSRAWVTUYEB-OAHLLOKOSA-N 0 2 357.366 2.250 20 5 FEBDLN CC(C)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nnc2ccccn21 ZINC000436969394 559957876 /nfs/dbraw/zinc/95/78/76/559957876.db2.gz XZRNYRRMULLGLN-OAHLLOKOSA-N 0 2 355.354 2.470 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1C ZINC000439576813 559997037 /nfs/dbraw/zinc/99/70/37/559997037.db2.gz CQBURMVKXOJGRD-UHFFFAOYSA-N 0 2 373.774 2.174 20 5 FEBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N=c1nc2n([nH]1)CCCC2 ZINC000455981843 560503286 /nfs/dbraw/zinc/50/32/86/560503286.db2.gz JSGZCHGNEDGJIZ-UHFFFAOYSA-N 0 2 358.402 2.965 20 5 FEBDLN CC(C)COc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000461115213 560761830 /nfs/dbraw/zinc/76/18/30/560761830.db2.gz SBUUEPNLOLKEFX-UHFFFAOYSA-N 0 2 351.384 2.247 20 5 FEBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(CC(F)(F)F)cc1 ZINC000461114286 560761844 /nfs/dbraw/zinc/76/18/44/560761844.db2.gz PMTDMWFZUCVTKV-UHFFFAOYSA-N 0 2 361.301 2.317 20 5 FEBDLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000467768955 560916900 /nfs/dbraw/zinc/91/69/00/560916900.db2.gz JFSDYMGHSZPXKI-UHFFFAOYSA-N 0 2 366.351 2.278 20 5 FEBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000467774932 560917094 /nfs/dbraw/zinc/91/70/94/560917094.db2.gz YIQAQDIJAGXNEO-UHFFFAOYSA-N 0 2 374.378 2.346 20 5 FEBDLN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC(=O)N1Cc1ccccc1 ZINC000467830445 560918475 /nfs/dbraw/zinc/91/84/75/560918475.db2.gz BCULYMPEJXVHQS-SWLSCSKDSA-N 0 2 369.377 2.220 20 5 FEBDLN COCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 ZINC000468922250 560942386 /nfs/dbraw/zinc/94/23/86/560942386.db2.gz JFQSYNRCZYVGDC-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469029094 560945264 /nfs/dbraw/zinc/94/52/64/560945264.db2.gz VILXEPUUKQCUEF-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN O=C(NCCc1cc(F)cc2c1OCOC2)c1cc(O)ccc1[N+](=O)[O-] ZINC000469515098 560956884 /nfs/dbraw/zinc/95/68/84/560956884.db2.gz GXVRMFFEFNPFKT-UHFFFAOYSA-N 0 2 362.313 2.279 20 5 FEBDLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2ccccc2[N+](=O)[O-])cn1 ZINC000470612410 560985945 /nfs/dbraw/zinc/98/59/45/560985945.db2.gz RHHHRXIUKIAKKI-UHFFFAOYSA-N 0 2 354.370 2.174 20 5 FEBDLN COc1c(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000475527439 561099375 /nfs/dbraw/zinc/09/93/75/561099375.db2.gz NOYBTBGNCBWXJS-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN O=C([O-])C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000532875723 562491465 /nfs/dbraw/zinc/49/14/65/562491465.db2.gz FMUKYINZRMNLGZ-GFCCVEGCSA-N 0 2 358.354 2.107 20 5 FEBDLN COc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1[N+](=O)[O-] ZINC000535174347 562552562 /nfs/dbraw/zinc/55/25/62/562552562.db2.gz SDDLGAWZWNJTDN-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN CCCc1[nH]nc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)c1[N+](=O)[O-] ZINC000550122203 562642974 /nfs/dbraw/zinc/64/29/74/562642974.db2.gz HTXISSQMPRUXAH-UHFFFAOYSA-N 0 2 371.357 2.322 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)s1 ZINC000556045217 674386095 /nfs/dbraw/zinc/38/60/95/674386095.db2.gz HKEUYVUNHCTXEH-UHFFFAOYSA-N 0 2 372.409 2.492 20 5 FEBDLN O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000569391712 568400226 /nfs/dbraw/zinc/40/02/26/568400226.db2.gz AFSYWROIEQSDEQ-UHFFFAOYSA-N 0 2 355.310 2.103 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218083 600138904 /nfs/dbraw/zinc/13/89/04/600138904.db2.gz KBAZTKTXHJXYGJ-NXEZZACHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218083 600138907 /nfs/dbraw/zinc/13/89/07/600138907.db2.gz KBAZTKTXHJXYGJ-NXEZZACHSA-N 0 2 355.778 2.372 20 5 FEBDLN O=C([O-])NC[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740623048 602046656 /nfs/dbraw/zinc/04/66/56/602046656.db2.gz KPLSGJYVGJGQIR-CYBMUJFWSA-N 0 2 361.358 2.267 20 5 FEBDLN O=C([O-])NC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740623048 602046659 /nfs/dbraw/zinc/04/66/59/602046659.db2.gz KPLSGJYVGJGQIR-CYBMUJFWSA-N 0 2 361.358 2.267 20 5 FEBDLN O=C([O-])N1CCC[C@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740718993 602237591 /nfs/dbraw/zinc/23/75/91/602237591.db2.gz DUMNIWFRQJMDSQ-LBPRGKRZSA-N 0 2 360.326 2.080 20 5 FEBDLN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662308 602538842 /nfs/dbraw/zinc/53/88/42/602538842.db2.gz ZCIPHUSRVMOXDC-JTQLQIEISA-N 0 2 370.793 2.118 20 5 FEBDLN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739662308 602538844 /nfs/dbraw/zinc/53/88/44/602538844.db2.gz ZCIPHUSRVMOXDC-JTQLQIEISA-N 0 2 370.793 2.118 20 5 FEBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823722578 603976064 /nfs/dbraw/zinc/97/60/64/603976064.db2.gz GPEPKBPMPGFFJH-LNSITVRQSA-N 0 2 362.386 2.139 20 5 FEBDLN C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823722578 603976067 /nfs/dbraw/zinc/97/60/67/603976067.db2.gz GPEPKBPMPGFFJH-LNSITVRQSA-N 0 2 362.386 2.139 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]CCN(C(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833953853 605816381 /nfs/dbraw/zinc/81/63/81/605816381.db2.gz CRQOFKKWBJQUQS-HNNXBMFYSA-N 0 2 359.386 2.150 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@@H](NC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833956185 605817464 /nfs/dbraw/zinc/81/74/64/605817464.db2.gz XUEBBSOIKQQRCQ-CABCVRRESA-N 0 2 359.386 2.054 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc([N+](=O)[O-])c1F ZINC000812272895 674660841 /nfs/dbraw/zinc/66/08/41/674660841.db2.gz RRLVOTLWFZNPDE-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN Cc1nnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])s1 ZINC000815032804 674903264 /nfs/dbraw/zinc/90/32/64/674903264.db2.gz YPLRXYSQJLHBJD-UHFFFAOYSA-N 0 2 366.783 2.026 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2nccn2)cc1 ZINC000055590880 670352404 /nfs/dbraw/zinc/35/24/04/670352404.db2.gz VHQQZDOGDJXYRZ-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CC(C)OCC[NH+]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000572122894 670964197 /nfs/dbraw/zinc/96/41/97/670964197.db2.gz WJJYEBPHGDJHNA-UHFFFAOYSA-N 0 2 371.821 2.137 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000577064813 671414184 /nfs/dbraw/zinc/41/41/84/671414184.db2.gz LEVUSQIQPIUJHM-LLVKDONJSA-N 0 2 350.762 2.455 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000609848986 675938965 /nfs/dbraw/zinc/93/89/65/675938965.db2.gz PSEQWCXLOQBZOE-UHFFFAOYSA-N 0 2 356.429 2.275 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610034232 675948251 /nfs/dbraw/zinc/94/82/51/675948251.db2.gz IXAAVIRDIRTQOB-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN C[C@@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000119893144 671911963 /nfs/dbraw/zinc/91/19/63/671911963.db2.gz FWXZXPIJMJWHGA-SSDOTTSWSA-N 0 2 360.417 2.376 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c(OC)n1 ZINC000591257673 672662471 /nfs/dbraw/zinc/66/24/71/672662471.db2.gz QBMCPOUBODQXJM-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000538756043 673456242 /nfs/dbraw/zinc/45/62/42/673456242.db2.gz DPPTZTBKFFFIRX-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(C)c1[N+](=O)[O-] ZINC000598711977 673601913 /nfs/dbraw/zinc/60/19/13/673601913.db2.gz HYUGAHQAPQUKLB-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cn1 ZINC000542939649 673616710 /nfs/dbraw/zinc/61/67/10/673616710.db2.gz MEDQUTNGBQHNJQ-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000546794822 673819619 /nfs/dbraw/zinc/81/96/19/673819619.db2.gz PDFYEAPVARVIQQ-UHFFFAOYSA-N 0 2 350.278 2.279 20 5 FEBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cn1C ZINC000745997788 673860391 /nfs/dbraw/zinc/86/03/91/673860391.db2.gz LKNCFWYDMAHDQZ-UHFFFAOYSA-N 0 2 371.346 2.050 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc3c2OCCO3)ccc1F ZINC000751266781 680164962 /nfs/dbraw/zinc/16/49/62/680164962.db2.gz IJLSMEZFUFRJKC-UHFFFAOYSA-N 0 2 354.315 2.306 20 5 FEBDLN Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000753706128 680310723 /nfs/dbraw/zinc/31/07/23/680310723.db2.gz NAUFEANNTSAWID-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN CCc1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)on1 ZINC000795854720 683099143 /nfs/dbraw/zinc/09/91/43/683099143.db2.gz FIKATQQHYCCGDY-UHFFFAOYSA-N 0 2 363.754 2.416 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000007708081 539463921 /nfs/dbraw/zinc/46/39/21/539463921.db2.gz LPUMXVUQLUXKEF-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN COCCOc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000057126038 540770176 /nfs/dbraw/zinc/77/01/76/540770176.db2.gz WLTGVNVBXOAQNW-UHFFFAOYSA-N 0 2 352.368 2.421 20 5 FEBDLN CCOC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1ccccc1 ZINC000063586670 541174577 /nfs/dbraw/zinc/17/45/77/541174577.db2.gz JSWCODPDUKXBLK-HNNXBMFYSA-N 0 2 372.377 2.452 20 5 FEBDLN Cc1ccc([C@H](C)NC(=O)C(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000542290969 541375907 /nfs/dbraw/zinc/37/59/07/541375907.db2.gz JUFGEVYWCNPROD-NSHDSACASA-N 0 2 374.401 2.066 20 5 FEBDLN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000067147956 541425122 /nfs/dbraw/zinc/42/51/22/541425122.db2.gz CCBUPWXBRNKGDP-JSGCOSHPSA-N 0 2 363.414 2.457 20 5 FEBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F ZINC000102632460 543075252 /nfs/dbraw/zinc/07/52/52/543075252.db2.gz SCERVELWYNMWRO-UHFFFAOYSA-N 0 2 373.749 2.287 20 5 FEBDLN O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000129876028 544130623 /nfs/dbraw/zinc/13/06/23/544130623.db2.gz NRMKMUKZNOKKPY-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000151280564 544524554 /nfs/dbraw/zinc/52/45/54/544524554.db2.gz NVASBDBODQZQEI-UHFFFAOYSA-N 0 2 359.357 2.398 20 5 FEBDLN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000803058983 674220539 /nfs/dbraw/zinc/22/05/39/674220539.db2.gz VVJJPIIIPKQFPS-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181943996 327754051 /nfs/dbraw/zinc/75/40/51/327754051.db2.gz GTGFEADXFOBTMZ-OLZOCXBDSA-N 0 2 363.414 2.457 20 5 FEBDLN CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000191473037 328267463 /nfs/dbraw/zinc/26/74/63/328267463.db2.gz XHWYPCGKLMQPLV-UHFFFAOYSA-N 0 2 359.430 2.365 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301377 326087324 /nfs/dbraw/zinc/08/73/24/326087324.db2.gz BTEOKDDZJSOKPO-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)n[nH]1 ZINC000155992237 326813377 /nfs/dbraw/zinc/81/33/77/326813377.db2.gz DUDKYIGLDLIZDZ-UHFFFAOYSA-N 0 2 356.342 2.293 20 5 FEBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1 ZINC000170747241 327096860 /nfs/dbraw/zinc/09/68/60/327096860.db2.gz DMIJGVYQYZLMFN-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN Cc1n[nH]c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1-c1ccncc1 ZINC000373642585 330247827 /nfs/dbraw/zinc/24/78/27/330247827.db2.gz FHSRFLNZAQPMOZ-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])c(N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000160642609 546059436 /nfs/dbraw/zinc/05/94/36/546059436.db2.gz AEXIRMAYYPCJJV-UHFFFAOYSA-N 0 2 374.378 2.316 20 5 FEBDLN COCCN(C)c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c[nH+]1 ZINC000478906158 561177751 /nfs/dbraw/zinc/17/77/51/561177751.db2.gz GMGJWGAKSKXOQX-HWKANZROSA-N 0 2 358.354 2.336 20 5 FEBDLN CN1CCOc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000178197546 546756577 /nfs/dbraw/zinc/75/65/77/546756577.db2.gz FQHIDIMSIRVDFZ-UHFFFAOYSA-N 0 2 355.397 2.286 20 5 FEBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1O)OCCO2 ZINC000481618739 561237466 /nfs/dbraw/zinc/23/74/66/561237466.db2.gz HCHLESYROUFXSX-UHFFFAOYSA-N 0 2 370.314 2.012 20 5 FEBDLN O=C(NCc1ccc(Cn2cccn2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000194744802 548524529 /nfs/dbraw/zinc/52/45/29/548524529.db2.gz HRCNVYSZUMUZJE-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000277055334 550626699 /nfs/dbraw/zinc/62/66/99/550626699.db2.gz HKJVTSGTSPCBGA-CQSZACIVSA-N 0 2 361.398 2.354 20 5 FEBDLN O=C(NC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1)c1ccccc1 ZINC000280816441 551035283 /nfs/dbraw/zinc/03/52/83/551035283.db2.gz RTSODHSIJZNRFA-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280855394 551039510 /nfs/dbraw/zinc/03/95/10/551039510.db2.gz CXDUDCBSJOMUEF-OAHLLOKOSA-N 0 2 369.377 2.394 20 5 FEBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(OC)c1OC ZINC000498394418 561524016 /nfs/dbraw/zinc/52/40/16/561524016.db2.gz CVLHCRHULIVRFS-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN Cc1nn(C)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000288494527 552162942 /nfs/dbraw/zinc/16/29/42/552162942.db2.gz DHJANVNNUYGQQJ-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000500300574 561569836 /nfs/dbraw/zinc/56/98/36/561569836.db2.gz CZBXKFWVJQWYGV-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COc1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c3ncccc23)c1 ZINC000500487340 561574753 /nfs/dbraw/zinc/57/47/53/561574753.db2.gz VYOGMBDIASTCLF-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000291791753 552661977 /nfs/dbraw/zinc/66/19/77/552661977.db2.gz PUGWNBLCMVXGKB-GFCCVEGCSA-N 0 2 373.365 2.041 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)cc1 ZINC000502992531 561631879 /nfs/dbraw/zinc/63/18/79/561631879.db2.gz SSTPBEHXIFITAS-AWEZNQCLSA-N 0 2 358.350 2.295 20 5 FEBDLN COc1ccc(O)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000326141393 553779220 /nfs/dbraw/zinc/77/92/20/553779220.db2.gz STWHPGNXLOWBES-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)s1 ZINC000508086953 561751025 /nfs/dbraw/zinc/75/10/25/561751025.db2.gz UBMMHJAPCGSZHP-UHFFFAOYSA-N 0 2 365.396 2.097 20 5 FEBDLN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cccc(O)c1[N+](=O)[O-] ZINC000366803199 555937499 /nfs/dbraw/zinc/93/74/99/555937499.db2.gz RSPNWDLXSVIYQK-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C[C@H]2O ZINC000367390129 556035344 /nfs/dbraw/zinc/03/53/44/556035344.db2.gz ZJAWXYRNEKVJAG-CYBMUJFWSA-N 0 2 374.349 2.007 20 5 FEBDLN Cc1nc(C)n(C[C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000369522349 556619481 /nfs/dbraw/zinc/61/94/81/556619481.db2.gz XUYZYZWSFHYOJT-CQSZACIVSA-N 0 2 359.386 2.204 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCn2c(nnc2-c2ccccc2)C1 ZINC000370543579 556904162 /nfs/dbraw/zinc/90/41/62/556904162.db2.gz IQJMEUAEMXCFSA-UHFFFAOYSA-N 0 2 365.349 2.215 20 5 FEBDLN Cc1nnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc2)n1C ZINC000371605819 557237341 /nfs/dbraw/zinc/23/73/41/557237341.db2.gz IWSUTNOOFRRCKB-INIZCTEOSA-N 0 2 367.365 2.257 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C[C@@H]2O ZINC000371611030 557238444 /nfs/dbraw/zinc/23/84/44/557238444.db2.gz HZUWQNDOPOOPEK-AWEZNQCLSA-N 0 2 374.349 2.007 20 5 FEBDLN COc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1 ZINC000374373761 557873890 /nfs/dbraw/zinc/87/38/90/557873890.db2.gz UAMFAEQFIBQVCE-OAHLLOKOSA-N 0 2 357.366 2.096 20 5 FEBDLN Cc1occc1C(=O)N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375644787 558061417 /nfs/dbraw/zinc/06/14/17/558061417.db2.gz XXFBIFAFOXSDLP-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000375998294 558111439 /nfs/dbraw/zinc/11/14/39/558111439.db2.gz JORMEJUIONAIAT-UHFFFAOYSA-N 0 2 359.294 2.112 20 5 FEBDLN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376020195 558115093 /nfs/dbraw/zinc/11/50/93/558115093.db2.gz UMPICTPTSILMIH-CABCVRRESA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000376097581 558126821 /nfs/dbraw/zinc/12/68/21/558126821.db2.gz ZMXXBCOOBDKSAJ-GOSISDBHSA-N 0 2 353.334 2.036 20 5 FEBDLN O=C([O-])C[C@H]1CCCN(c2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000521880898 562185686 /nfs/dbraw/zinc/18/56/86/562185686.db2.gz JRMBZEPRXWDFPO-CQSZACIVSA-N 0 2 363.414 2.118 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3F)c2)cc1 ZINC000378277151 558517672 /nfs/dbraw/zinc/51/76/72/558517672.db2.gz YTXHNWMQIPZGBC-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000392500528 558617807 /nfs/dbraw/zinc/61/78/07/558617807.db2.gz NWQRWBHQGWBMJD-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cn1cc[nH+]c1[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483969 559630023 /nfs/dbraw/zinc/63/00/23/559630023.db2.gz QMIYWPISPGLSHC-KBPBESRZSA-N 0 2 351.357 2.005 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432953767 559868601 /nfs/dbraw/zinc/86/86/01/559868601.db2.gz CPMRIRHMBDKDQI-UHFFFAOYSA-N 0 2 360.351 2.369 20 5 FEBDLN O=C(NCCc1cc(F)cc2c1OCOC2)c1cc([N+](=O)[O-])ccc1O ZINC000436673942 559948391 /nfs/dbraw/zinc/94/83/91/559948391.db2.gz SYSYXXAAKDOYOR-UHFFFAOYSA-N 0 2 362.313 2.279 20 5 FEBDLN Cn1c(=O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc2ccccc21 ZINC000436699511 559949286 /nfs/dbraw/zinc/94/92/86/559949286.db2.gz RLZHMTZBSVMEHS-UHFFFAOYSA-N 0 2 353.334 2.082 20 5 FEBDLN COc1ccccc1-c1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n[nH]1 ZINC000436888020 559955522 /nfs/dbraw/zinc/95/55/22/559955522.db2.gz YZHDVTZRTQFMNZ-UHFFFAOYSA-N 0 2 355.310 2.346 20 5 FEBDLN O=C(NCc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436954443 559957463 /nfs/dbraw/zinc/95/74/63/559957463.db2.gz GUSOGCMNMWFUGK-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436985332 559958610 /nfs/dbraw/zinc/95/86/10/559958610.db2.gz CLWZFQWWAZCHJU-UHFFFAOYSA-N 0 2 359.338 2.263 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000442239161 560046624 /nfs/dbraw/zinc/04/66/24/560046624.db2.gz FBMUZZNXLNASPE-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(NCc1ccncc1OCC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000442974341 560064786 /nfs/dbraw/zinc/06/47/86/560064786.db2.gz QZJZFGOMOQPRQE-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 ZINC000444063692 560100488 /nfs/dbraw/zinc/10/04/88/560100488.db2.gz SBRAVFORCNWXJA-UHFFFAOYSA-N 0 2 366.311 2.047 20 5 FEBDLN COc1cc(CSc2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1OCC(F)F ZINC000446068948 560139099 /nfs/dbraw/zinc/13/90/99/560139099.db2.gz GPNMMMBDPSWOGF-UHFFFAOYSA-N 0 2 362.314 2.363 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)cc1[N+](=O)[O-] ZINC000446972585 560154477 /nfs/dbraw/zinc/15/44/77/560154477.db2.gz VSHBKLFLWFYDJE-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cnn1C ZINC000451098792 560287209 /nfs/dbraw/zinc/28/72/09/560287209.db2.gz YQVPZWQPQSIWOW-UHFFFAOYSA-N 0 2 353.404 2.258 20 5 FEBDLN Cc1c(Br)cccc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461106555 560761600 /nfs/dbraw/zinc/76/16/00/560761600.db2.gz GZTCOMPFFNJSQC-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cn1C ZINC000466963197 560900463 /nfs/dbraw/zinc/90/04/63/560900463.db2.gz BLTLDSXPRPNIOZ-UHFFFAOYSA-N 0 2 373.412 2.281 20 5 FEBDLN O=C(NCCc1ccccc1[N+](=O)[O-])C1=NN(c2ccccc2)CC1=O ZINC000470599360 560985524 /nfs/dbraw/zinc/98/55/24/560985524.db2.gz FBAQUYCWZFJTGQ-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535176431 562552577 /nfs/dbraw/zinc/55/25/77/562552577.db2.gz UKEPOSJEGPOLTR-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN Cn1nccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000541072736 562602215 /nfs/dbraw/zinc/60/22/15/562602215.db2.gz RBTMPTOPMFVNGM-UHFFFAOYSA-N 0 2 350.278 2.148 20 5 FEBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000569225055 568315641 /nfs/dbraw/zinc/31/56/41/568315641.db2.gz LGNWRLJZSVASPC-SECBINFHSA-N 0 2 365.777 2.400 20 5 FEBDLN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000739279147 600292702 /nfs/dbraw/zinc/29/27/02/600292702.db2.gz VHUQEEKPYUFCOG-LLVKDONJSA-N 0 2 367.789 2.373 20 5 FEBDLN Cc1oc(C[N@@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-] ZINC000738966817 600430581 /nfs/dbraw/zinc/43/05/81/600430581.db2.gz JETUFKZAPKBEFG-INIZCTEOSA-N 0 2 373.365 2.432 20 5 FEBDLN Cc1oc(C[N@H+](C)[C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-] ZINC000738966817 600430583 /nfs/dbraw/zinc/43/05/83/600430583.db2.gz JETUFKZAPKBEFG-INIZCTEOSA-N 0 2 373.365 2.432 20 5 FEBDLN O=C([O-])CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CCCC1 ZINC000598657213 602398858 /nfs/dbraw/zinc/39/88/58/602398858.db2.gz ARUZWODGRJLTLE-UHFFFAOYSA-N 0 2 358.354 2.250 20 5 FEBDLN O=C([O-])NC[C@H]1CCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832489621 603505167 /nfs/dbraw/zinc/50/51/67/603505167.db2.gz GXUKCGDSXKUTCS-IUODEOHRSA-N 0 2 374.353 2.374 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1[N+](=O)[O-] ZINC000563501347 674898090 /nfs/dbraw/zinc/89/80/90/674898090.db2.gz SHBPJYVCNWLWQF-UHFFFAOYSA-N 0 2 356.385 2.133 20 5 FEBDLN COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609447088 675922530 /nfs/dbraw/zinc/92/25/30/675922530.db2.gz QAOVBGQBSPCEDU-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(NC[C@@H](CO)c1ccccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000588780909 672480580 /nfs/dbraw/zinc/48/05/80/672480580.db2.gz GOSOFNPSTCMEOB-JTQLQIEISA-N 0 2 350.758 2.460 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)OC)cc1[N+](=O)[O-] ZINC000592351148 672790217 /nfs/dbraw/zinc/79/02/17/672790217.db2.gz YRCIZXVKBMRGCU-UHFFFAOYSA-N 0 2 367.383 2.381 20 5 FEBDLN COCCn1c(=O)cc(O)nc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000734834592 673473678 /nfs/dbraw/zinc/47/36/78/673473678.db2.gz YEWMVDKJFOZQTP-UHFFFAOYSA-N 0 2 371.802 2.449 20 5 FEBDLN CC(C)Cn1cc[nH+]c1C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000539381945 673487008 /nfs/dbraw/zinc/48/70/08/673487008.db2.gz FFUWEJSDYRQCKV-UHFFFAOYSA-N 0 2 356.379 2.065 20 5 FEBDLN CC(C)Cn1ccnc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000539381945 673487011 /nfs/dbraw/zinc/48/70/11/673487011.db2.gz FFUWEJSDYRQCKV-UHFFFAOYSA-N 0 2 356.379 2.065 20 5 FEBDLN Cc1nn2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)cnc2c1Cl ZINC000542930925 673615922 /nfs/dbraw/zinc/61/59/22/673615922.db2.gz YQRSDOLBMXUGNM-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)cccc1[N+](=O)[O-] ZINC000600636123 673784466 /nfs/dbraw/zinc/78/44/66/673784466.db2.gz NDVWVCJAJAGCTA-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cnc1OC ZINC000600659864 673787478 /nfs/dbraw/zinc/78/74/78/673787478.db2.gz NBKUXWPABOMIIL-UHFFFAOYSA-N 0 2 359.385 2.178 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000619467883 676378257 /nfs/dbraw/zinc/37/82/57/676378257.db2.gz KPICOUSESOWJRA-UHFFFAOYSA-N 0 2 362.314 2.373 20 5 FEBDLN Cc1sc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000830832386 677063826 /nfs/dbraw/zinc/06/38/26/677063826.db2.gz DYMFLGKWMVQOEE-GFCCVEGCSA-N 0 2 365.333 2.248 20 5 FEBDLN COc1ccc(CSCC(=O)NOCC(F)(F)F)cc1[N+](=O)[O-] ZINC000766768601 680887652 /nfs/dbraw/zinc/88/76/52/680887652.db2.gz PFJFDNIZSAGQFW-UHFFFAOYSA-N 0 2 354.306 2.447 20 5 FEBDLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768886308 680963333 /nfs/dbraw/zinc/96/33/33/680963333.db2.gz BLPZIHHECQHISS-UHFFFAOYSA-N 0 2 374.396 2.483 20 5 FEBDLN O=C(OCCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])cc1Cl ZINC000774888398 681246318 /nfs/dbraw/zinc/24/63/18/681246318.db2.gz VSLXWHRCVHIPMX-UHFFFAOYSA-N 0 2 354.668 2.474 20 5 FEBDLN O=C(OCCCNC(=O)C(F)(F)F)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000774962852 681257747 /nfs/dbraw/zinc/25/77/47/681257747.db2.gz TYVXZBBJQFPEKA-UHFFFAOYSA-N 0 2 354.668 2.474 20 5 FEBDLN O=C(NCCCOC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000778169483 681582280 /nfs/dbraw/zinc/58/22/80/681582280.db2.gz LJAGRKMHJJHVQH-UHFFFAOYSA-N 0 2 370.230 2.298 20 5 FEBDLN C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1NC(=O)C(F)(F)F ZINC000856420725 682780509 /nfs/dbraw/zinc/78/05/09/682780509.db2.gz OICAXXQCZCIQKH-SFYZADRCSA-N 0 2 365.333 2.185 20 5 FEBDLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000042219404 540055512 /nfs/dbraw/zinc/05/55/12/540055512.db2.gz BPVUISLQBAHTRH-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN O=C(COc1ccc([N+](=O)[O-])cc1)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000057753833 540813181 /nfs/dbraw/zinc/81/31/81/540813181.db2.gz QZJKKVNWLGZKIH-UHFFFAOYSA-N 0 2 356.294 2.368 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000063850039 541188537 /nfs/dbraw/zinc/18/85/37/541188537.db2.gz KCNJLIQILHAUFS-UHFFFAOYSA-N 0 2 366.399 2.492 20 5 FEBDLN CCOC(=O)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000070870784 541747785 /nfs/dbraw/zinc/74/77/85/541747785.db2.gz NZFNSYRCQNJFHL-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN O=C(OCCCCO)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386458 674125304 /nfs/dbraw/zinc/12/53/04/674125304.db2.gz IYXAAELTIKZWKL-UHFFFAOYSA-N 0 2 355.734 2.069 20 5 FEBDLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nncs1 ZINC000038039657 208198343 /nfs/dbraw/zinc/19/83/43/208198343.db2.gz LMHRCRPSWKGTNX-UHFFFAOYSA-N 0 2 365.190 2.010 20 5 FEBDLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000105546580 543176350 /nfs/dbraw/zinc/17/63/50/543176350.db2.gz OVXMJASEAYLGIE-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN O=C(CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N1Cc2ccccc2C1 ZINC000111655885 543410763 /nfs/dbraw/zinc/41/07/63/543410763.db2.gz GZBQNNPZJDUPKS-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000802838398 674201354 /nfs/dbraw/zinc/20/13/54/674201354.db2.gz WNKSWTHDXXIIEB-SNVBAGLBSA-N 0 2 353.375 2.191 20 5 FEBDLN COc1cccc(C(F)(F)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000553257803 674248679 /nfs/dbraw/zinc/24/86/79/674248679.db2.gz PYOJDIXNSAQQTL-UHFFFAOYSA-N 0 2 353.281 2.226 20 5 FEBDLN O=C(c1cc(F)c(O)c(F)c1)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000183638631 327827886 /nfs/dbraw/zinc/82/78/86/327827886.db2.gz FTXWMKPDSULING-SNVBAGLBSA-N 0 2 364.308 2.300 20 5 FEBDLN C[C@H](c1cccnc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184785776 327883235 /nfs/dbraw/zinc/88/32/35/327883235.db2.gz NPHNXCGZYHXSRX-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000187011500 327997109 /nfs/dbraw/zinc/99/71/09/327997109.db2.gz OCWIZHFSPFRCRL-UHFFFAOYSA-N 0 2 361.320 2.305 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)c1[N+](=O)[O-] ZINC000189281618 328138790 /nfs/dbraw/zinc/13/87/90/328138790.db2.gz HMEUIYJRSWKAMI-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2nncn2C2CC2)CC1 ZINC000117413865 326060066 /nfs/dbraw/zinc/06/00/66/326060066.db2.gz AHXIHHILFUCJTA-UHFFFAOYSA-N 0 2 357.370 2.247 20 5 FEBDLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc([N+](=O)[O-])c1 ZINC000121929523 326376596 /nfs/dbraw/zinc/37/65/96/326376596.db2.gz VBCCFCXHGMRNEO-UHFFFAOYSA-N 0 2 358.379 2.473 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)c1C ZINC000163064068 327041767 /nfs/dbraw/zinc/04/17/67/327041767.db2.gz IRHKZCGYLHQMPC-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000166153345 327080961 /nfs/dbraw/zinc/08/09/61/327080961.db2.gz RJAXFTVDGVAENG-UHFFFAOYSA-N 0 2 352.306 2.308 20 5 FEBDLN COc1cccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)c1 ZINC000264021562 328985329 /nfs/dbraw/zinc/98/53/29/328985329.db2.gz OZBXMFMIQMKTIQ-ZDUSSCGKSA-N 0 2 357.366 2.318 20 5 FEBDLN CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272375241 329775358 /nfs/dbraw/zinc/77/53/58/329775358.db2.gz ICTOZLKSXRNKJH-UHFFFAOYSA-N 0 2 364.402 2.003 20 5 FEBDLN COC(=O)COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000478702499 561173179 /nfs/dbraw/zinc/17/31/79/561173179.db2.gz VJODOFPUMNMUIK-UHFFFAOYSA-N 0 2 374.349 2.124 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)c([N+](=O)[O-])c1 ZINC000479273423 561186393 /nfs/dbraw/zinc/18/63/93/561186393.db2.gz ZXDCRZMDXIZOHP-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000174770036 546302970 /nfs/dbraw/zinc/30/29/70/546302970.db2.gz CCMVSGWPEWFVCE-UHFFFAOYSA-N 0 2 352.372 2.011 20 5 FEBDLN CCS(=O)(=O)c1cccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000483441476 561277212 /nfs/dbraw/zinc/27/72/12/561277212.db2.gz PBIYRCURZMTKSL-UHFFFAOYSA-N 0 2 364.379 2.275 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1C ZINC000484045845 561290330 /nfs/dbraw/zinc/29/03/30/561290330.db2.gz UUUBCTOJGAWTAA-UHFFFAOYSA-N 0 2 354.388 2.121 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nncn1-c1ccccc1 ZINC000183387684 547648455 /nfs/dbraw/zinc/64/84/55/547648455.db2.gz IBYFALVCQQPMOU-UHFFFAOYSA-N 0 2 359.367 2.117 20 5 FEBDLN O=C(N[C@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184368079 547814711 /nfs/dbraw/zinc/81/47/11/547814711.db2.gz ZGRIVKTUDYXTGZ-ZDUSSCGKSA-N 0 2 361.398 2.211 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(Cc2cscn2)CC1 ZINC000184743710 547874103 /nfs/dbraw/zinc/87/41/03/547874103.db2.gz WUXQTGMYZYDCLY-UHFFFAOYSA-N 0 2 362.411 2.105 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2ncccc2Cl)CC1 ZINC000184755793 547875626 /nfs/dbraw/zinc/87/56/26/547875626.db2.gz VCGPWYMIAMBGMT-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c1C ZINC000278431985 550785310 /nfs/dbraw/zinc/78/53/10/550785310.db2.gz UEBRYZJHFKILGC-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)ccc1[N+](=O)[O-] ZINC000278860683 550829826 /nfs/dbraw/zinc/82/98/26/550829826.db2.gz MTYPXMLKGMHADR-AWEZNQCLSA-N 0 2 366.399 2.289 20 5 FEBDLN COc1ccccc1N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280846972 551038347 /nfs/dbraw/zinc/03/83/47/551038347.db2.gz WCKFIWGHXKNVGA-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280855370 551039516 /nfs/dbraw/zinc/03/95/16/551039516.db2.gz CXDUDCBSJOMUEF-HNNXBMFYSA-N 0 2 369.377 2.394 20 5 FEBDLN O=C(Cn1cnc([N+](=O)[O-])n1)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000509477004 561801151 /nfs/dbraw/zinc/80/11/51/561801151.db2.gz CLMICAMFUUWJIC-UHFFFAOYSA-N 0 2 366.548 2.491 20 5 FEBDLN COc1cc(CCNc2nc([C@H](C)OC)ns2)c([N+](=O)[O-])cc1OC ZINC000509727980 561811994 /nfs/dbraw/zinc/81/19/94/561811994.db2.gz GBHQDDXYPXPTTM-VIFPVBQESA-N 0 2 368.415 2.247 20 5 FEBDLN NC(=O)c1cc(=NC(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)[nH][nH]1 ZINC000610890893 554576461 /nfs/dbraw/zinc/57/64/61/554576461.db2.gz XDTDFFAKVDZHCV-UHFFFAOYSA-N 0 2 367.321 2.461 20 5 FEBDLN Cn1cc(-c2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])s2)cn1 ZINC000364885121 555425286 /nfs/dbraw/zinc/42/52/86/555425286.db2.gz ALFDBVDJCQBSIV-UHFFFAOYSA-N 0 2 365.396 2.253 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCN(c2ncccc2F)CC1 ZINC000367676523 556111572 /nfs/dbraw/zinc/11/15/72/556111572.db2.gz WYQOAFQTHBLKRZ-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000369411994 556594906 /nfs/dbraw/zinc/59/49/06/556594906.db2.gz NZTZJKYRHDWMHY-AWEZNQCLSA-N 0 2 370.365 2.247 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000370467299 556881462 /nfs/dbraw/zinc/88/14/62/556881462.db2.gz FTYKTWRTQPOSBB-CQSZACIVSA-N 0 2 373.340 2.365 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000518783027 562118323 /nfs/dbraw/zinc/11/83/23/562118323.db2.gz WBZRJIMRJFJYMQ-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372323018 557439832 /nfs/dbraw/zinc/43/98/32/557439832.db2.gz AHWMCIKOTNJPFO-LBPRGKRZSA-N 0 2 370.365 2.186 20 5 FEBDLN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000519548593 562134435 /nfs/dbraw/zinc/13/44/35/562134435.db2.gz OMSGPYFLEMXVTM-CYBMUJFWSA-N 0 2 371.393 2.430 20 5 FEBDLN C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000519548593 562134436 /nfs/dbraw/zinc/13/44/36/562134436.db2.gz OMSGPYFLEMXVTM-CYBMUJFWSA-N 0 2 371.393 2.430 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000373535970 557713113 /nfs/dbraw/zinc/71/31/13/557713113.db2.gz UFHNMBVWSBDDNJ-SFHVURJKSA-N 0 2 353.334 2.036 20 5 FEBDLN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@]2(CCCOC2)O1 ZINC000373696810 557740739 /nfs/dbraw/zinc/74/07/39/557740739.db2.gz PESPLQZOINNFCY-GUYCJALGSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376143678 558132919 /nfs/dbraw/zinc/13/29/19/558132919.db2.gz MDJSFERMUXGIMC-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377391111 558331920 /nfs/dbraw/zinc/33/19/20/558331920.db2.gz ISIUGLKBWZVYEJ-OAHLLOKOSA-N 0 2 373.340 2.365 20 5 FEBDLN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377733991 558408150 /nfs/dbraw/zinc/40/81/50/558408150.db2.gz DTCJOUUSKSIAKG-KBPBESRZSA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000378530993 558576451 /nfs/dbraw/zinc/57/64/51/558576451.db2.gz HNZUOYNMVFQXLW-NSHDSACASA-N 0 2 357.370 2.247 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc(CN(C)C)cs2)cc1[N+](=O)[O-] ZINC000414458698 559165250 /nfs/dbraw/zinc/16/52/50/559165250.db2.gz NLQQKOJGZNSAMZ-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN CC[C@@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)OC ZINC000421155701 559527311 /nfs/dbraw/zinc/52/73/11/559527311.db2.gz OGYHVGPKFWCVHL-LBPRGKRZSA-N 0 2 354.388 2.152 20 5 FEBDLN CC[C@@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)OC ZINC000421155701 559527312 /nfs/dbraw/zinc/52/73/12/559527312.db2.gz OGYHVGPKFWCVHL-LBPRGKRZSA-N 0 2 354.388 2.152 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000422055473 559563212 /nfs/dbraw/zinc/56/32/12/559563212.db2.gz ZRQWMSKOHMUOCY-OAHLLOKOSA-N 0 2 361.398 2.211 20 5 FEBDLN Cc1nc([C@](C)(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000432274271 559855304 /nfs/dbraw/zinc/85/53/04/559855304.db2.gz ITWMVULDQTYMJW-CQSZACIVSA-N 0 2 370.362 2.029 20 5 FEBDLN Cc1cc(=NC(=O)c2cc(Br)cc([N+](=O)[O-])c2)[nH]nc1C ZINC000432659912 559862632 /nfs/dbraw/zinc/86/26/32/559862632.db2.gz RNHBFDWUYIRMGC-UHFFFAOYSA-N 0 2 351.160 3.016 20 5 FEBDLN C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1 ZINC000436663949 559948138 /nfs/dbraw/zinc/94/81/38/559948138.db2.gz JQJWWMFVCFINES-ABAIWWIYSA-N 0 2 355.350 2.224 20 5 FEBDLN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436669523 559948338 /nfs/dbraw/zinc/94/83/38/559948338.db2.gz ADLJDNKLJAVYLL-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN COc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(Cl)cc1C(N)=O ZINC000436731428 559950192 /nfs/dbraw/zinc/95/01/92/559950192.db2.gz OTTAFTGTLAOLMB-UHFFFAOYSA-N 0 2 365.729 2.314 20 5 FEBDLN COC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(C)c1 ZINC000436805511 559952535 /nfs/dbraw/zinc/95/25/35/559952535.db2.gz FCSWWEFVVOZEHP-OAHLLOKOSA-N 0 2 362.313 2.392 20 5 FEBDLN CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436875659 559955131 /nfs/dbraw/zinc/95/51/31/559955131.db2.gz VTUDRPMKVIOBNZ-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436893270 559955441 /nfs/dbraw/zinc/95/54/41/559955441.db2.gz OYPYQMJVNXESKM-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN CCOC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436970384 559957828 /nfs/dbraw/zinc/95/78/28/559957828.db2.gz DGGCSDJYUGQXIF-OAHLLOKOSA-N 0 2 358.350 2.377 20 5 FEBDLN CN(C)C(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436967650 559957979 /nfs/dbraw/zinc/95/79/79/559957979.db2.gz QXHPWPSZYJHCSN-OAHLLOKOSA-N 0 2 357.366 2.250 20 5 FEBDLN CCc1cnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)s1 ZINC000436978433 559958320 /nfs/dbraw/zinc/95/83/20/559958320.db2.gz HTEPPXPOVMEDEF-UHFFFAOYSA-N 0 2 362.411 2.282 20 5 FEBDLN COC(=O)CCc1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000436979472 559958363 /nfs/dbraw/zinc/95/83/63/559958363.db2.gz YTYZIWNKUMSOHQ-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000440308734 560008556 /nfs/dbraw/zinc/00/85/56/560008556.db2.gz UCHJBASHYXOXHT-VIFPVBQESA-N 0 2 350.331 2.053 20 5 FEBDLN O=C(NCc1ccncc1OCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000442976146 560064714 /nfs/dbraw/zinc/06/47/14/560064714.db2.gz WIVFYSKTLWAUFF-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c([N+](=O)[O-])n1 ZINC000443407354 560083286 /nfs/dbraw/zinc/08/32/86/560083286.db2.gz CZXCGPYLLKMDGU-UHFFFAOYSA-N 0 2 359.433 2.366 20 5 FEBDLN CCOC(=O)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000447752052 560168386 /nfs/dbraw/zinc/16/83/86/560168386.db2.gz UJEJIOQOFYYPOP-CYBMUJFWSA-N 0 2 370.408 2.239 20 5 FEBDLN CC(C)OCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000456807408 560533484 /nfs/dbraw/zinc/53/34/84/560533484.db2.gz NXVHWOMZZOCPCF-UHFFFAOYSA-N 0 2 352.387 2.347 20 5 FEBDLN CC(C)OCCOC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000456819514 560533666 /nfs/dbraw/zinc/53/36/66/560533666.db2.gz MSDYVCJVFBTAAX-UHFFFAOYSA-N 0 2 352.387 2.347 20 5 FEBDLN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC(=O)N1Cc1ccccc1 ZINC000467830444 560918435 /nfs/dbraw/zinc/91/84/35/560918435.db2.gz BCULYMPEJXVHQS-IUODEOHRSA-N 0 2 369.377 2.220 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2c3c(nn2C)CCC3)c1C ZINC000534907749 562545183 /nfs/dbraw/zinc/54/51/83/562545183.db2.gz DRTJDMZAOUAPJK-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN Cn1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000833052301 601310521 /nfs/dbraw/zinc/31/05/21/601310521.db2.gz SWDZBFMLTFYIGG-UHFFFAOYSA-N 0 2 355.310 2.070 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179692 602794518 /nfs/dbraw/zinc/79/45/18/602794518.db2.gz NDHLUAGIEDIJAP-ONGXEEELSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179692 602794519 /nfs/dbraw/zinc/79/45/19/602794519.db2.gz NDHLUAGIEDIJAP-ONGXEEELSA-N 0 2 370.793 2.165 20 5 FEBDLN O=C([O-])NC[C@@H]1CCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832489623 603504837 /nfs/dbraw/zinc/50/48/37/603504837.db2.gz GXUKCGDSXKUTCS-WFASDCNBSA-N 0 2 374.353 2.374 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833790509 605523978 /nfs/dbraw/zinc/52/39/78/605523978.db2.gz OTRTZXFUEGSPGD-VIFPVBQESA-N 0 2 358.782 2.117 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833790509 605523979 /nfs/dbraw/zinc/52/39/79/605523979.db2.gz OTRTZXFUEGSPGD-VIFPVBQESA-N 0 2 358.782 2.117 20 5 FEBDLN O=C([O-])N1CCC(OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000834283386 605733270 /nfs/dbraw/zinc/73/32/70/605733270.db2.gz REIYISUAULIOBV-UHFFFAOYSA-N 0 2 360.326 2.080 20 5 FEBDLN C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000563124296 674848336 /nfs/dbraw/zinc/84/83/36/674848336.db2.gz ISMFBYXXFSNHLD-ONGXEEELSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C(=O)[O-] ZINC000563124296 674848338 /nfs/dbraw/zinc/84/83/38/674848338.db2.gz ISMFBYXXFSNHLD-ONGXEEELSA-N 0 2 355.778 2.229 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n(C2CCOCC2)n1 ZINC000563886551 674950432 /nfs/dbraw/zinc/95/04/32/674950432.db2.gz ORTSNSRTFPFQOJ-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000583850614 672131350 /nfs/dbraw/zinc/13/13/50/672131350.db2.gz KTBNZPXGOIWWSH-UHFFFAOYSA-N 0 2 356.385 2.133 20 5 FEBDLN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000586804103 672435918 /nfs/dbraw/zinc/43/59/18/672435918.db2.gz JRDFLPPGYDLYDV-LLVKDONJSA-N 0 2 350.371 2.352 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000611294709 676030466 /nfs/dbraw/zinc/03/04/66/676030466.db2.gz WTTNZSGMAWNKJY-VIFPVBQESA-N 0 2 368.342 2.240 20 5 FEBDLN Cc1cnc(C)c(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000593280940 672902470 /nfs/dbraw/zinc/90/24/70/672902470.db2.gz FEWXILMCSNWCRH-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(COC)ccn1 ZINC000593288732 672904042 /nfs/dbraw/zinc/90/40/42/672904042.db2.gz NXJKHFRUOMRKSM-UHFFFAOYSA-N 0 2 351.384 2.499 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c(OC)n1 ZINC000612599666 676090034 /nfs/dbraw/zinc/09/00/34/676090034.db2.gz KICBUNZZTCBVMO-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN CCOC(=O)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000614003774 676156514 /nfs/dbraw/zinc/15/65/14/676156514.db2.gz PPSMBNZNOBUVKF-UHFFFAOYSA-N 0 2 350.371 2.496 20 5 FEBDLN Cc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)n1 ZINC000542709390 673598803 /nfs/dbraw/zinc/59/88/03/673598803.db2.gz LGTPKDLMRKXFBQ-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN COc1cc(O)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619467909 676378170 /nfs/dbraw/zinc/37/81/70/676378170.db2.gz MKASOWRZSVSLMO-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN CC[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000833709787 680198724 /nfs/dbraw/zinc/19/87/24/680198724.db2.gz YYLGAJPNPNXZLQ-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000841422191 680880040 /nfs/dbraw/zinc/88/00/40/680880040.db2.gz APYAWPADQMPXSQ-NSHDSACASA-N 0 2 350.400 2.194 20 5 FEBDLN CC(C)(C)c1nc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n[nH]1 ZINC000841538317 680894197 /nfs/dbraw/zinc/89/41/97/680894197.db2.gz DSEKWNVJTSOKAO-UHFFFAOYSA-N 0 2 373.822 2.142 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n1 ZINC000768849688 680961333 /nfs/dbraw/zinc/96/13/33/680961333.db2.gz OXGSHQBUJQKTBE-UHFFFAOYSA-N 0 2 363.398 2.090 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cs1 ZINC000788556739 682538963 /nfs/dbraw/zinc/53/89/63/682538963.db2.gz MZYAAEXQLYYURS-UHFFFAOYSA-N 0 2 366.380 2.431 20 5 FEBDLN C[C@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)NC(=O)OC(C)(C)C ZINC000863688174 683762536 /nfs/dbraw/zinc/76/25/36/683762536.db2.gz ZZNXIGHGIVPFQU-SNVBAGLBSA-N 0 2 353.375 2.286 20 5 FEBDLN O=C(Nc1cc(C(F)(F)F)cc(Br)n1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000892108998 689151642 /nfs/dbraw/zinc/15/16/42/689151642.db2.gz XWYXBJMCSRSMQG-PHDIDXHHSA-N 0 2 354.082 2.467 20 5 FEBDLN COc1nc(C)ccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000538621714 540873417 /nfs/dbraw/zinc/87/34/17/540873417.db2.gz IBPWBPMMCMNANG-UHFFFAOYSA-N 0 2 354.326 2.344 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000069674950 541703240 /nfs/dbraw/zinc/70/32/40/541703240.db2.gz VZYPXAKFENFNNX-UHFFFAOYSA-N 0 2 372.200 2.862 20 5 FEBDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1C ZINC000093929326 542946151 /nfs/dbraw/zinc/94/61/51/542946151.db2.gz LPGQUSFZMJGPSW-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000126304092 543929208 /nfs/dbraw/zinc/92/92/08/543929208.db2.gz BVZJMMWBJXKFGB-UHFFFAOYSA-N 0 2 363.380 2.309 20 5 FEBDLN O=c1[nH]c2cc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])ccc2o1 ZINC000131255346 544182381 /nfs/dbraw/zinc/18/23/81/544182381.db2.gz CNEQXLOFKHQKCB-UHFFFAOYSA-N 0 2 369.742 2.484 20 5 FEBDLN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000134331141 544303805 /nfs/dbraw/zinc/30/38/05/544303805.db2.gz OVTBTDCCRREORK-CQSZACIVSA-N 0 2 361.398 2.211 20 5 FEBDLN COc1ccccc1N1CC[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182098930 327761086 /nfs/dbraw/zinc/76/10/86/327761086.db2.gz WFWBEIVQABKWDS-LBPRGKRZSA-N 0 2 357.366 2.318 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)Nc1ccc(F)c(F)c1F ZINC000184632053 327876294 /nfs/dbraw/zinc/87/62/94/327876294.db2.gz ZHRJWHHUBGMFBG-UHFFFAOYSA-N 0 2 369.255 2.086 20 5 FEBDLN CCC(CC)C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000080411761 325130311 /nfs/dbraw/zinc/13/03/11/325130311.db2.gz VMFVJKPFMNHNAA-UHFFFAOYSA-N 0 2 363.414 2.457 20 5 FEBDLN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(Br)c1=O ZINC000153384986 326731627 /nfs/dbraw/zinc/73/16/27/326731627.db2.gz FVMKIVDGUVEPQD-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164044249 327063454 /nfs/dbraw/zinc/06/34/54/327063454.db2.gz WGMJYIMPBKTNIZ-INIZCTEOSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000173353926 327251714 /nfs/dbraw/zinc/25/17/14/327251714.db2.gz NARYYTUMRWLKLM-UHFFFAOYSA-N 0 2 365.349 2.215 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1c2c(nn1C)CCC2 ZINC000270500934 329605730 /nfs/dbraw/zinc/60/57/30/329605730.db2.gz XOYRFVGLWAVIIL-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1C ZINC000271141952 329666119 /nfs/dbraw/zinc/66/61/19/329666119.db2.gz DSIICVOXLYNOEU-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272361436 329773925 /nfs/dbraw/zinc/77/39/25/329773925.db2.gz FJGOOQZRCFUBTM-SNVBAGLBSA-N 0 2 351.359 2.040 20 5 FEBDLN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000157663501 545768151 /nfs/dbraw/zinc/76/81/51/545768151.db2.gz XQMYZOWWCDLUDQ-OLZOCXBDSA-N 0 2 363.414 2.457 20 5 FEBDLN CCCCc1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])[nH]n1 ZINC000159941047 545993592 /nfs/dbraw/zinc/99/35/92/545993592.db2.gz DFCPPRRPTKPTBC-UHFFFAOYSA-N 0 2 354.388 2.470 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2c(OC)cccc2OC)cc1[N+](=O)[O-] ZINC000479126791 561182008 /nfs/dbraw/zinc/18/20/08/561182008.db2.gz CZKXWGARZBMACH-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180769526 547175861 /nfs/dbraw/zinc/17/58/61/547175861.db2.gz PTNUDCRAEVTWCE-OAHLLOKOSA-N 0 2 368.353 2.018 20 5 FEBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000485098452 561312542 /nfs/dbraw/zinc/31/25/42/561312542.db2.gz UTXFFXOUTSCWKK-UHFFFAOYSA-N 0 2 354.340 2.338 20 5 FEBDLN Cc1c(CNC(=O)c2ccc(-c3nc(=O)o[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000485207382 561314875 /nfs/dbraw/zinc/31/48/75/561314875.db2.gz NTYRBXGJNZVUBG-UHFFFAOYSA-N 0 2 354.322 2.177 20 5 FEBDLN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000485416649 561318691 /nfs/dbraw/zinc/31/86/91/561318691.db2.gz UICZSEKYSWFTCD-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)c1 ZINC000194650587 548512681 /nfs/dbraw/zinc/51/26/81/548512681.db2.gz OTRAOJZIPPADOK-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN O=C(NCCc1cnn(-c2ccccc2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000194743037 548524195 /nfs/dbraw/zinc/52/41/95/548524195.db2.gz PZOZNZRKCJAJAG-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000195271888 548607689 /nfs/dbraw/zinc/60/76/89/548607689.db2.gz NEHGMTSXKSCMET-UHFFFAOYSA-N 0 2 373.394 2.234 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488277982 561387384 /nfs/dbraw/zinc/38/73/84/561387384.db2.gz CDBJUJFLMKZABE-UHFFFAOYSA-N 0 2 371.346 2.337 20 5 FEBDLN COc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)c1 ZINC000490401678 561432406 /nfs/dbraw/zinc/43/24/06/561432406.db2.gz SSQNNOVCNDWCDK-UHFFFAOYSA-N 0 2 369.337 2.406 20 5 FEBDLN O=C(NCc1cccc(N2CCOCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000490766682 561438155 /nfs/dbraw/zinc/43/81/55/561438155.db2.gz GEQVBTUDWJSMKE-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268774558 550114554 /nfs/dbraw/zinc/11/45/54/550114554.db2.gz GKHYUEUIFWTMTG-SNVBAGLBSA-N 0 2 356.791 2.327 20 5 FEBDLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000494440966 561469921 /nfs/dbraw/zinc/46/99/21/561469921.db2.gz SLHBEMGJEYYYHG-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274872273 550561377 /nfs/dbraw/zinc/56/13/77/550561377.db2.gz MMPYORAOQUWYLU-NSHDSACASA-N 0 2 365.386 2.287 20 5 FEBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nnc2n1CCCCC2 ZINC000274876791 550561904 /nfs/dbraw/zinc/56/19/04/550561904.db2.gz NPIIACNDQVDSHJ-CYBMUJFWSA-N 0 2 359.386 2.499 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)oc1C ZINC000274899313 550563317 /nfs/dbraw/zinc/56/33/17/550563317.db2.gz PALNDYTXUYNPBO-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c1C ZINC000278431982 550785286 /nfs/dbraw/zinc/78/52/86/550785286.db2.gz UEBRYZJHFKILGC-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F ZINC000278899041 550834027 /nfs/dbraw/zinc/83/40/27/550834027.db2.gz QQIYDQSTDDWTEF-LBPRGKRZSA-N 0 2 370.362 2.120 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000281283461 551080889 /nfs/dbraw/zinc/08/08/89/551080889.db2.gz QJCGQQQKANIITP-AWEZNQCLSA-N 0 2 370.361 2.414 20 5 FEBDLN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000283385314 551357985 /nfs/dbraw/zinc/35/79/85/551357985.db2.gz PBRWJMLYCYOJKE-OLZOCXBDSA-N 0 2 354.366 2.494 20 5 FEBDLN COCCc1ccnc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000284981496 551682952 /nfs/dbraw/zinc/68/29/52/551682952.db2.gz DSPKTPMJSOCTAE-UHFFFAOYSA-N 0 2 351.384 2.288 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000500766228 561581589 /nfs/dbraw/zinc/58/15/89/561581589.db2.gz GFYHFIVFRUDZEH-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293653165 552844326 /nfs/dbraw/zinc/84/43/26/552844326.db2.gz IJVQSIRSLJOOOE-TXEJJXNPSA-N 0 2 363.414 2.408 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cnn1C1CCOCC1 ZINC000294949085 552946677 /nfs/dbraw/zinc/94/66/77/552946677.db2.gz AQDYKFLCFFGRLA-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000505602689 561675070 /nfs/dbraw/zinc/67/50/70/561675070.db2.gz OTSICCVSGHHUAA-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN C[C@@H](Sc1n[n-]c(=[NH2+])n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000603496820 553795325 /nfs/dbraw/zinc/79/53/25/553795325.db2.gz GZGBTBPZSMWWOY-ZCFIWIBFSA-N 0 2 356.795 2.078 20 5 FEBDLN COC(=O)c1cccc2nc(NC(=O)c3cc(O)cc([N+](=O)[O-])c3)[nH]c21 ZINC000507298661 561724107 /nfs/dbraw/zinc/72/41/07/561724107.db2.gz AEYHYXOFGBHIOD-UHFFFAOYSA-N 0 2 356.294 2.216 20 5 FEBDLN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330610380 554145119 /nfs/dbraw/zinc/14/51/19/554145119.db2.gz UGKZWNREMHNGLU-LLVKDONJSA-N 0 2 350.371 2.494 20 5 FEBDLN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330614591 554145926 /nfs/dbraw/zinc/14/59/26/554145926.db2.gz TTXIELMGFPYQHA-LBPRGKRZSA-N 0 2 363.414 2.315 20 5 FEBDLN CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508708827 561770190 /nfs/dbraw/zinc/77/01/90/561770190.db2.gz FCBYQKWJYCSZDN-UHFFFAOYSA-N 0 2 357.366 2.079 20 5 FEBDLN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000509383049 561797198 /nfs/dbraw/zinc/79/71/98/561797198.db2.gz BMVJAFUOEQHRGS-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509769459 561813233 /nfs/dbraw/zinc/81/32/33/561813233.db2.gz DNIIGSHGWRUZQI-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000364382000 555303149 /nfs/dbraw/zinc/30/31/49/555303149.db2.gz HYHXFZBETICAPG-CYBMUJFWSA-N 0 2 361.398 2.165 20 5 FEBDLN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367710325 556120874 /nfs/dbraw/zinc/12/08/74/556120874.db2.gz WOYJUOADOAAOFK-CYBMUJFWSA-N 0 2 361.398 2.211 20 5 FEBDLN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000368647278 556373377 /nfs/dbraw/zinc/37/33/77/556373377.db2.gz ZNNYRDIUBCTRHQ-CYBMUJFWSA-N 0 2 361.354 2.337 20 5 FEBDLN CC(=O)N1Cc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc2C1 ZINC000370273457 556826569 /nfs/dbraw/zinc/82/65/69/556826569.db2.gz WMTVEZACIYBLRZ-UHFFFAOYSA-N 0 2 367.408 2.319 20 5 FEBDLN Cc1nnc([C@@H]2CC23CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC3)o1 ZINC000370868563 556996111 /nfs/dbraw/zinc/99/61/11/556996111.db2.gz NVYGOPXQYXTZAM-LBPRGKRZSA-N 0 2 358.354 2.402 20 5 FEBDLN CN(C(=O)[C@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2)C1CC1 ZINC000371589693 557231838 /nfs/dbraw/zinc/23/18/38/557231838.db2.gz UZQVVAPYMGOETH-OAHLLOKOSA-N 0 2 373.409 2.164 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000373734744 557747793 /nfs/dbraw/zinc/74/77/93/557747793.db2.gz UQPIMIZDMFCDPR-UHFFFAOYSA-N 0 2 359.294 2.112 20 5 FEBDLN O=C(c1ccccc1)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375647732 558062049 /nfs/dbraw/zinc/06/20/49/558062049.db2.gz RKZIGJPTPPBNSP-UHFFFAOYSA-N 0 2 369.377 2.289 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000377823561 558427614 /nfs/dbraw/zinc/42/76/14/558427614.db2.gz KRFDYQRAKFLLGT-AWEZNQCLSA-N 0 2 350.371 2.101 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CO)ccc1C ZINC000525330215 562246221 /nfs/dbraw/zinc/24/62/21/562246221.db2.gz ITVZERGBMLDJQB-UHFFFAOYSA-N 0 2 352.368 2.205 20 5 FEBDLN CO[C@@H](CC(C)C)CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421229084 559532233 /nfs/dbraw/zinc/53/22/33/559532233.db2.gz FNGMOWQNSVLOBI-NSHDSACASA-N 0 2 356.404 2.274 20 5 FEBDLN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000425154801 559688783 /nfs/dbraw/zinc/68/87/83/559688783.db2.gz BDUFVQLGVACXEN-MRXNPFEDSA-N 0 2 369.377 2.004 20 5 FEBDLN CCc1nc(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])ccc1C(=O)[O-] ZINC000426665214 559739915 /nfs/dbraw/zinc/73/99/15/559739915.db2.gz JHKZCHZEAKADLS-UHFFFAOYSA-N 0 2 361.354 2.254 20 5 FEBDLN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436587351 559945904 /nfs/dbraw/zinc/94/59/04/559945904.db2.gz YECVCPQRLTXMFS-NSHDSACASA-N 0 2 366.320 2.160 20 5 FEBDLN CCOC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2O)nc1C ZINC000436596974 559946297 /nfs/dbraw/zinc/94/62/97/559946297.db2.gz SQKJVQKAHXWGML-UHFFFAOYSA-N 0 2 351.340 2.494 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC(=O)N1Cc1ccccc1 ZINC000436784333 559952098 /nfs/dbraw/zinc/95/20/98/559952098.db2.gz WVJNPSQXWAUNJP-LRDDRELGSA-N 0 2 369.377 2.220 20 5 FEBDLN COC(=O)[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000436831518 559953719 /nfs/dbraw/zinc/95/37/19/559953719.db2.gz GTKIERRNXHZCRV-KRWDZBQOSA-N 0 2 362.313 2.258 20 5 FEBDLN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc(OC)c1OC ZINC000436862902 559954664 /nfs/dbraw/zinc/95/46/64/559954664.db2.gz QYSSTDQJLOYSNW-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN CC(C)Oc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1C(N)=O ZINC000436935073 559956793 /nfs/dbraw/zinc/95/67/93/559956793.db2.gz ZTOTYZIBRBLOFX-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000446953895 560154126 /nfs/dbraw/zinc/15/41/26/560154126.db2.gz IGGYUMULEFOYAP-SECBINFHSA-N 0 2 374.762 2.284 20 5 FEBDLN Cc1noc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000447869355 560171543 /nfs/dbraw/zinc/17/15/43/560171543.db2.gz RGHJVTPKKKOTSM-UHFFFAOYSA-N 0 2 367.170 2.072 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000463468659 560816227 /nfs/dbraw/zinc/81/62/27/560816227.db2.gz BKCHSBVQUAOXTO-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN CCNC(=O)COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469523746 560957205 /nfs/dbraw/zinc/95/72/05/560957205.db2.gz NUQMBUFKBTXTOD-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000476804343 561128911 /nfs/dbraw/zinc/12/89/11/561128911.db2.gz KGXRQFPALFTMGU-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)n1 ZINC000604471227 568297391 /nfs/dbraw/zinc/29/73/91/568297391.db2.gz JXIRGJRIQXUYRJ-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN Cc1ccn(Cc2cc([N+](=O)[O-])ccc2OC(C)C)c(=O)c1-c1nn[nH]n1 ZINC000822374041 607348603 /nfs/dbraw/zinc/34/86/03/607348603.db2.gz IMKIOISEWBZXFU-UHFFFAOYSA-N 0 2 370.369 2.081 20 5 FEBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C(=O)[O-])cc1 ZINC000737974858 599863443 /nfs/dbraw/zinc/86/34/43/599863443.db2.gz WYCFJIAFDHFVIN-QGZVFWFLSA-N 0 2 373.365 2.266 20 5 FEBDLN Cc1cccn2cc(CC(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH+]c12 ZINC000738786729 600543900 /nfs/dbraw/zinc/54/39/00/600543900.db2.gz YGANARRASNVIRE-UHFFFAOYSA-N 0 2 354.322 2.430 20 5 FEBDLN CN(C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)[O-] ZINC000739659479 602542303 /nfs/dbraw/zinc/54/23/03/602542303.db2.gz CWFNXTSHQIFUDX-SNVBAGLBSA-N 0 2 370.793 2.118 20 5 FEBDLN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)[O-] ZINC000739659479 602542305 /nfs/dbraw/zinc/54/23/05/602542305.db2.gz CWFNXTSHQIFUDX-SNVBAGLBSA-N 0 2 370.793 2.118 20 5 FEBDLN C[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000828488403 604270907 /nfs/dbraw/zinc/27/09/07/604270907.db2.gz UXIUGPSWWPLGFV-MEBBXXQBSA-N 0 2 369.805 2.103 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000833954821 605816470 /nfs/dbraw/zinc/81/64/70/605816470.db2.gz NFCVLZYUJZZHME-UKRRQHHQSA-N 0 2 359.386 2.150 20 5 FEBDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000028695635 670092261 /nfs/dbraw/zinc/09/22/61/670092261.db2.gz PCPZVHWURMWIDS-UHFFFAOYSA-N 0 2 360.344 2.383 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000078491190 670587612 /nfs/dbraw/zinc/58/76/12/670587612.db2.gz WEOQHXKWINAXSQ-UHFFFAOYSA-N 0 2 351.384 2.470 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CCC(C)C)o1 ZINC000619507769 676382776 /nfs/dbraw/zinc/38/27/76/676382776.db2.gz MWRQKPXMUPYXBC-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN O=C(Nc1sc2c(c1C(=O)c1cccnc1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841183694 680867900 /nfs/dbraw/zinc/86/79/00/680867900.db2.gz PXIGSISZIJCOIO-VXGBXAGGSA-N 0 2 357.391 2.467 20 5 FEBDLN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000773313258 681135795 /nfs/dbraw/zinc/13/57/95/681135795.db2.gz FUPCXYXCUAPAFS-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN COc1ccc(CSCC(=O)NOC2CCOCC2)cc1[N+](=O)[O-] ZINC000773922382 681160366 /nfs/dbraw/zinc/16/03/66/681160366.db2.gz OMFMCLFEMZMMJI-UHFFFAOYSA-N 0 2 356.400 2.063 20 5 FEBDLN COC(=O)c1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1OC ZINC000018069814 539645463 /nfs/dbraw/zinc/64/54/63/539645463.db2.gz CPXWWKMQYAXKSJ-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)c([N+](=O)[O-])c1 ZINC000073438144 541953861 /nfs/dbraw/zinc/95/38/61/541953861.db2.gz UGHFSCSAPGDQLC-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FEBDLN O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000073420482 541951430 /nfs/dbraw/zinc/95/14/30/541951430.db2.gz LVUBDRWPGPQOIB-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1ccccc1 ZINC000075159182 542156763 /nfs/dbraw/zinc/15/67/63/542156763.db2.gz LRCZVNMFPUMRPX-FZMZJTMJSA-N 0 2 355.350 2.224 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C(=O)N(C)C ZINC000076938115 542331488 /nfs/dbraw/zinc/33/14/88/542331488.db2.gz KZZSAXBUMBSHHQ-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN CCCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000077169300 542349544 /nfs/dbraw/zinc/34/95/44/542349544.db2.gz FAGJIUFIVLFCAS-UHFFFAOYSA-N 0 2 363.414 2.459 20 5 FEBDLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000109064562 543312853 /nfs/dbraw/zinc/31/28/53/543312853.db2.gz NLVGJBFQFMTNJE-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1N(C)C ZINC000109424427 543324888 /nfs/dbraw/zinc/32/48/88/543324888.db2.gz DZYPYJTXWPDQNP-UHFFFAOYSA-N 0 2 351.384 2.470 20 5 FEBDLN Cc1nn(CCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(C)c1[N+](=O)[O-] ZINC000109625772 543329446 /nfs/dbraw/zinc/32/94/46/543329446.db2.gz KNOGWMGLNVMXFW-UHFFFAOYSA-N 0 2 373.348 2.361 20 5 FEBDLN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552114343 674188565 /nfs/dbraw/zinc/18/85/65/674188565.db2.gz GGLZZCXJHTYSHP-LLVKDONJSA-N 0 2 352.412 2.475 20 5 FEBDLN CC(C)CCn1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1 ZINC000129374692 544108277 /nfs/dbraw/zinc/10/82/77/544108277.db2.gz WHGFXZBAMCXPGF-UHFFFAOYSA-N 0 2 370.373 2.270 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000142050938 544415695 /nfs/dbraw/zinc/41/56/95/544415695.db2.gz AATNFOTZUYWSKR-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552435301 674209118 /nfs/dbraw/zinc/20/91/18/674209118.db2.gz ZBYAKHRIVYCYCE-LBPRGKRZSA-N 0 2 350.371 2.494 20 5 FEBDLN O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552492387 674212116 /nfs/dbraw/zinc/21/21/16/674212116.db2.gz GDLAEXKEPDTRLX-UHFFFAOYSA-N 0 2 361.320 2.305 20 5 FEBDLN O=C(NCCc1csc(N2CCCC2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000179500303 327646906 /nfs/dbraw/zinc/64/69/06/327646906.db2.gz HYOKWVBUAZPKTD-UHFFFAOYSA-N 0 2 362.411 2.330 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000187087684 328001505 /nfs/dbraw/zinc/00/15/05/328001505.db2.gz PHPBEVXCASRWKV-UHFFFAOYSA-N 0 2 350.312 2.347 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn([C@@H](C)COC)n1 ZINC000187975277 328057760 /nfs/dbraw/zinc/05/77/60/328057760.db2.gz PRJXYOBPNMKJBK-NSHDSACASA-N 0 2 368.415 2.362 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189167897 328132964 /nfs/dbraw/zinc/13/29/64/328132964.db2.gz NLWUIHPIYGSUDF-SKDRFNHKSA-N 0 2 361.320 2.475 20 5 FEBDLN CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C2 ZINC000194502781 328427874 /nfs/dbraw/zinc/42/78/74/328427874.db2.gz VPHBBPGMGAUIJK-UHFFFAOYSA-N 0 2 355.350 2.457 20 5 FEBDLN CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C[C@@H](C)O[C@H](C)C1 ZINC000089531819 325321232 /nfs/dbraw/zinc/32/12/32/325321232.db2.gz LIGBPISQCSMMFJ-HSMVNMDESA-N 0 2 351.403 2.373 20 5 FEBDLN O=C(CNC(=O)c1c(F)cccc1Cl)Nc1cc([N+](=O)[O-])ccc1O ZINC000126616703 326492036 /nfs/dbraw/zinc/49/20/36/326492036.db2.gz VIYQPYUVKBAVIK-UHFFFAOYSA-N 0 2 367.720 2.461 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000133804900 326615091 /nfs/dbraw/zinc/61/50/91/326615091.db2.gz JJAZUXBCGYOKDS-CYBMUJFWSA-N 0 2 367.365 2.363 20 5 FEBDLN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274740913 329975858 /nfs/dbraw/zinc/97/58/58/329975858.db2.gz FOCUBRXZSBHSRA-LLVKDONJSA-N 0 2 350.371 2.494 20 5 FEBDLN COc1ccc(-n2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)n2)cc1 ZINC000157652873 545765963 /nfs/dbraw/zinc/76/59/63/545765963.db2.gz IIXNUMZBEBRSBM-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000159438398 545953372 /nfs/dbraw/zinc/95/33/72/545953372.db2.gz TZMMQQOWNNJXEP-GFCCVEGCSA-N 0 2 367.365 2.363 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000481857052 561244137 /nfs/dbraw/zinc/24/41/37/561244137.db2.gz QHHKVSQVAKMDTA-LBPRGKRZSA-N 0 2 352.372 2.279 20 5 FEBDLN Cc1sc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1CS(C)(=O)=O ZINC000483437904 561277193 /nfs/dbraw/zinc/27/71/93/561277193.db2.gz HMFYZUHAQKVJAX-UHFFFAOYSA-N 0 2 370.408 2.467 20 5 FEBDLN O=C(NCc1ccccc1CN1CCCC1=O)c1cc([N+](=O)[O-])ccc1O ZINC000181868538 547394550 /nfs/dbraw/zinc/39/45/50/547394550.db2.gz ATKMOXBACLHGHE-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN CCC(CC)C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181902727 547401537 /nfs/dbraw/zinc/40/15/37/547401537.db2.gz UNECRAILXUCKFJ-UHFFFAOYSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O ZINC000182174979 547447599 /nfs/dbraw/zinc/44/75/99/547447599.db2.gz ZYUCZIFDWLIOJQ-LBPRGKRZSA-N 0 2 355.350 2.115 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000185143658 547939518 /nfs/dbraw/zinc/93/95/18/547939518.db2.gz GXKRQIVYUQWUDZ-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN Cn1ncc2c1[nH]cc(C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)c2=O ZINC000186017457 548073950 /nfs/dbraw/zinc/07/39/50/548073950.db2.gz UEZPSJRLDACFKU-UHFFFAOYSA-N 0 2 361.745 2.166 20 5 FEBDLN CCc1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])sc1C(=O)OC ZINC000486920713 561359555 /nfs/dbraw/zinc/35/95/55/561359555.db2.gz OWMMHAWMIOVREN-UHFFFAOYSA-N 0 2 351.340 2.358 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1[N+](=O)[O-] ZINC000488262427 561387078 /nfs/dbraw/zinc/38/70/78/561387078.db2.gz GIUMYJKRKSSCBH-UHFFFAOYSA-N 0 2 366.277 2.135 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC000491585861 561446761 /nfs/dbraw/zinc/44/67/61/561446761.db2.gz HVTZKFIFDGWEAL-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000272350204 550440152 /nfs/dbraw/zinc/44/01/52/550440152.db2.gz CHFXEQQQVBTNSO-HNNXBMFYSA-N 0 2 370.361 2.414 20 5 FEBDLN CCn1nccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000274429395 550537480 /nfs/dbraw/zinc/53/74/80/550537480.db2.gz MEXUYVBIQYHRHC-UHFFFAOYSA-N 0 2 362.314 2.213 20 5 FEBDLN Cc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1 ZINC000277251519 550648040 /nfs/dbraw/zinc/64/80/40/550648040.db2.gz LVISVAPQEVFZPP-UHFFFAOYSA-N 0 2 373.372 2.081 20 5 FEBDLN COc1cc(CCNC(=O)[C@H](F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000277401080 550665934 /nfs/dbraw/zinc/66/59/34/550665934.db2.gz KZXMNAWUYSXBIN-NSHDSACASA-N 0 2 354.256 2.171 20 5 FEBDLN COc1cc(CCNC(=O)C(F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000277401080 550665935 /nfs/dbraw/zinc/66/59/35/550665935.db2.gz KZXMNAWUYSXBIN-NSHDSACASA-N 0 2 354.256 2.171 20 5 FEBDLN COc1ccc(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cc1[N+](=O)[O-] ZINC000279803609 550930627 /nfs/dbraw/zinc/93/06/27/550930627.db2.gz SXKMRQUNICJHTI-NSHDSACASA-N 0 2 363.292 2.245 20 5 FEBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000290820045 552543522 /nfs/dbraw/zinc/54/35/22/552543522.db2.gz SYAGMNOMXRTCMW-SNVBAGLBSA-N 0 2 374.781 2.466 20 5 FEBDLN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293653161 552844255 /nfs/dbraw/zinc/84/42/55/552844255.db2.gz IJVQSIRSLJOOOE-RYUDHWBXSA-N 0 2 363.414 2.408 20 5 FEBDLN COCCCn1cc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000296829457 553217179 /nfs/dbraw/zinc/21/71/79/553217179.db2.gz WJFSOSICIKWUMA-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN O=C(NCCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000319232418 553763907 /nfs/dbraw/zinc/76/39/07/553763907.db2.gz VMOVHCVZTYIQDO-UHFFFAOYSA-N 0 2 369.175 2.080 20 5 FEBDLN O=C(NC1CC1)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000506358572 561696598 /nfs/dbraw/zinc/69/65/98/561696598.db2.gz WPYSOYDXKBLYKY-UHFFFAOYSA-N 0 2 355.350 2.123 20 5 FEBDLN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331355961 554250515 /nfs/dbraw/zinc/25/05/15/554250515.db2.gz RIBYQAYGOSOESI-KRWDZBQOSA-N 0 2 350.371 2.494 20 5 FEBDLN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000331360308 554251150 /nfs/dbraw/zinc/25/11/50/554251150.db2.gz XQULJLCUFXXHHB-KRWDZBQOSA-N 0 2 350.371 2.494 20 5 FEBDLN COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(C)c1 ZINC000509757738 561813034 /nfs/dbraw/zinc/81/30/34/561813034.db2.gz ZCOQEOHVKMUTFQ-UHFFFAOYSA-N 0 2 360.322 2.413 20 5 FEBDLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000511285295 561863765 /nfs/dbraw/zinc/86/37/65/561863765.db2.gz ARWUIFINKAHPJD-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN O=C(CCN1C(=O)COc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000363829955 555195065 /nfs/dbraw/zinc/19/50/65/555195065.db2.gz USBGZQDAKJEUMY-UHFFFAOYSA-N 0 2 357.322 2.055 20 5 FEBDLN O=C1CCOc2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc21 ZINC000365834595 555678488 /nfs/dbraw/zinc/67/84/88/555678488.db2.gz RUUFHFQNAOSGJT-UHFFFAOYSA-N 0 2 366.326 2.500 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCN(c2cncc(F)c2)CC1 ZINC000367918115 556172459 /nfs/dbraw/zinc/17/24/59/556172459.db2.gz PKVCFASVCXLNQL-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN Cc1nnc([C@H]2CC23CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC3)o1 ZINC000368643222 556372064 /nfs/dbraw/zinc/37/20/64/556372064.db2.gz MABKHLWEISQIKN-CYBMUJFWSA-N 0 2 358.354 2.402 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnccc2-n2cccn2)c(F)c1 ZINC000518588108 562114806 /nfs/dbraw/zinc/11/48/06/562114806.db2.gz UPFOSRPPVUUFGS-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000518953874 562121775 /nfs/dbraw/zinc/12/17/75/562121775.db2.gz BDIGOEDSKGXILK-ZDUSSCGKSA-N 0 2 370.408 2.157 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3)cn2)cc1 ZINC000374073748 557818759 /nfs/dbraw/zinc/81/87/59/557818759.db2.gz CVUMHYHMMNLQCH-UHFFFAOYSA-N 0 2 357.351 2.248 20 5 FEBDLN COc1ccccc1[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374347310 557869214 /nfs/dbraw/zinc/86/92/14/557869214.db2.gz VBTMXJQCSUPYMH-CQSZACIVSA-N 0 2 357.366 2.096 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc2c1OCCO2 ZINC000524460199 562228997 /nfs/dbraw/zinc/22/89/97/562228997.db2.gz AEXOIUKBCVBEIZ-UHFFFAOYSA-N 0 2 367.321 2.403 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1[N+](=O)[O-] ZINC000432972967 559869111 /nfs/dbraw/zinc/86/91/11/559869111.db2.gz TXCRYYQODHFOOP-AWEZNQCLSA-N 0 2 366.399 2.289 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000436522332 559944045 /nfs/dbraw/zinc/94/40/45/559944045.db2.gz KYZAJEHWFRSPGC-OAHLLOKOSA-N 0 2 358.350 2.220 20 5 FEBDLN CCNC(=O)COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436624845 559946899 /nfs/dbraw/zinc/94/68/99/559946899.db2.gz BAVHWYLFPNPUEN-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COC(=O)COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436822046 559953209 /nfs/dbraw/zinc/95/32/09/559953209.db2.gz ZTCVTFRFQPLUCN-LLVKDONJSA-N 0 2 374.349 2.343 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436872478 559955041 /nfs/dbraw/zinc/95/50/41/559955041.db2.gz WVDDJPSBYLUPNI-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN O=C(Nc1c[nH]cc(Br)c1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436886967 559955399 /nfs/dbraw/zinc/95/53/99/559955399.db2.gz VNYGTDMOGHIKLJ-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(N2CCOCC2)c1 ZINC000441860851 560039976 /nfs/dbraw/zinc/03/99/76/560039976.db2.gz HKPJYGLRMAETFS-UHFFFAOYSA-N 0 2 371.393 2.375 20 5 FEBDLN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000446432269 560145869 /nfs/dbraw/zinc/14/58/69/560145869.db2.gz VFYXLBSOXIGFPY-KRWDZBQOSA-N 0 2 350.371 2.352 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000456652353 560527387 /nfs/dbraw/zinc/52/73/87/560527387.db2.gz LEZNUXFKUYJYNG-XPKDYRNWSA-N 0 2 374.397 2.424 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C1CCN(CC(F)(F)F)CC1 ZINC000456929265 560538766 /nfs/dbraw/zinc/53/87/66/560538766.db2.gz GGHSISQORWEFEK-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461104721 560761490 /nfs/dbraw/zinc/76/14/90/560761490.db2.gz ASZNULBEWCCMAU-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([S@](C)=O)cc1 ZINC000462097718 560796933 /nfs/dbraw/zinc/79/69/33/560796933.db2.gz ADJLEQXABGXFQL-QHCPKHFHSA-N 0 2 370.408 2.142 20 5 FEBDLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000467772872 560916957 /nfs/dbraw/zinc/91/69/57/560916957.db2.gz PQJSMROUYZXAGM-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000468545835 560932514 /nfs/dbraw/zinc/93/25/14/560932514.db2.gz YWIPGIWBHDYDKI-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN CN(C)C(=O)COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000469503045 560956573 /nfs/dbraw/zinc/95/65/73/560956573.db2.gz ICWGTGHCNJGSOF-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000469507739 560956664 /nfs/dbraw/zinc/95/66/64/560956664.db2.gz BDZSDEXNFHCOOQ-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c(C)o1 ZINC000476344830 561117183 /nfs/dbraw/zinc/11/71/83/561117183.db2.gz BFXGNAZIXFECRH-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN COC(=O)c1cc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])ccc1OC ZINC000536841927 562581356 /nfs/dbraw/zinc/58/13/56/562581356.db2.gz XAGCZAWGBTUVSN-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262670204 600140393 /nfs/dbraw/zinc/14/03/93/600140393.db2.gz PALRXLYFJUDWRK-VHSXEESVSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000262670204 600140396 /nfs/dbraw/zinc/14/03/96/600140396.db2.gz PALRXLYFJUDWRK-VHSXEESVSA-N 0 2 355.778 2.372 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000740175362 601855445 /nfs/dbraw/zinc/85/54/45/601855445.db2.gz QNZQZHJTUNOSEW-CYBMUJFWSA-N 0 2 364.402 2.164 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](CN(C)C(=O)[O-])C1 ZINC000740175362 601855447 /nfs/dbraw/zinc/85/54/47/601855447.db2.gz QNZQZHJTUNOSEW-CYBMUJFWSA-N 0 2 364.402 2.164 20 5 FEBDLN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000739066078 602822387 /nfs/dbraw/zinc/82/23/87/602822387.db2.gz WPPDWOHTRBBBSY-LLVKDONJSA-N 0 2 361.358 2.392 20 5 FEBDLN C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000739066078 602822390 /nfs/dbraw/zinc/82/23/90/602822390.db2.gz WPPDWOHTRBBBSY-LLVKDONJSA-N 0 2 361.358 2.392 20 5 FEBDLN O=C([O-])[C@@H](O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000833770939 604763294 /nfs/dbraw/zinc/76/32/94/604763294.db2.gz RPKLJPPZMZEQIE-ZDUSSCGKSA-N 0 2 373.203 2.015 20 5 FEBDLN O=C([O-])N1CC[C@H]([N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)C1 ZINC000834081771 605782382 /nfs/dbraw/zinc/78/23/82/605782382.db2.gz AENWRVPSKBBIJB-AWEZNQCLSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@H]([N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)C1 ZINC000834081771 605782383 /nfs/dbraw/zinc/78/23/83/605782383.db2.gz AENWRVPSKBBIJB-AWEZNQCLSA-N 0 2 373.369 2.362 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000833954820 605816438 /nfs/dbraw/zinc/81/64/38/605816438.db2.gz NFCVLZYUJZZHME-HIFRSBDPSA-N 0 2 359.386 2.150 20 5 FEBDLN C[C@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000825831646 605851856 /nfs/dbraw/zinc/85/18/56/605851856.db2.gz MPARZMQYPKYWBT-AAEUAGOBSA-N 0 2 373.369 2.041 20 5 FEBDLN COc1ccc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1[N+](=O)[O-] ZINC000609712625 675934218 /nfs/dbraw/zinc/93/42/18/675934218.db2.gz YSBZPDWMSHSMMO-UHFFFAOYSA-N 0 2 365.415 2.496 20 5 FEBDLN C[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1nc(C(C)(C)C)no1 ZINC000119893019 671912121 /nfs/dbraw/zinc/91/21/21/671912121.db2.gz FWXZXPIJMJWHGA-ZETCQYMHSA-N 0 2 360.417 2.376 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)cs1 ZINC000120250222 671920599 /nfs/dbraw/zinc/92/05/99/671920599.db2.gz CDEVFFZTBCWWSU-UHFFFAOYSA-N 0 2 351.369 2.242 20 5 FEBDLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000127470241 672037018 /nfs/dbraw/zinc/03/70/18/672037018.db2.gz YZUUBXNDVJHHJP-UHFFFAOYSA-N 0 2 361.177 2.190 20 5 FEBDLN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000611373970 676034592 /nfs/dbraw/zinc/03/45/92/676034592.db2.gz RRJUNZFPBXIYHX-UHFFFAOYSA-N 0 2 370.408 2.189 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)c(F)cc1[N+](=O)[O-] ZINC000590598074 672594865 /nfs/dbraw/zinc/59/48/65/672594865.db2.gz JMTGVGRTFVLXRX-UHFFFAOYSA-N 0 2 365.342 2.338 20 5 FEBDLN O=c1[nH]c2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc2o1 ZINC000194141838 672749229 /nfs/dbraw/zinc/74/92/29/672749229.db2.gz UDKZOYSJMAFWQI-UHFFFAOYSA-N 0 2 369.742 2.484 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)coc1C(=O)N(C)C ZINC000592350279 672789661 /nfs/dbraw/zinc/78/96/61/672789661.db2.gz HOXCQQYILHKSLA-UHFFFAOYSA-N 0 2 367.383 2.307 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000592382018 672794949 /nfs/dbraw/zinc/79/49/49/672794949.db2.gz DUTXQOQQIKXTQA-UHFFFAOYSA-N 0 2 350.400 2.419 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594485311 673089177 /nfs/dbraw/zinc/08/91/77/673089177.db2.gz ZSOHODIRYQIUJG-STQMWFEESA-N 0 2 357.407 2.029 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485311 673089180 /nfs/dbraw/zinc/08/91/80/673089180.db2.gz ZSOHODIRYQIUJG-STQMWFEESA-N 0 2 357.407 2.029 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000539856823 673510217 /nfs/dbraw/zinc/51/02/17/673510217.db2.gz ZIKLGUBFGXFQBV-UHFFFAOYSA-N 0 2 363.395 2.397 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c(C)c1[N+](=O)[O-] ZINC000598735596 673604971 /nfs/dbraw/zinc/60/49/71/673604971.db2.gz WRFOMESQEGRUAV-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000742030014 673704395 /nfs/dbraw/zinc/70/43/95/673704395.db2.gz RBXAKTSRRGQDTO-UHFFFAOYSA-N 0 2 371.346 2.266 20 5 FEBDLN COc1ccc(CSCC(=O)NOCc2cccnc2)cc1[N+](=O)[O-] ZINC000746937981 673897665 /nfs/dbraw/zinc/89/76/65/673897665.db2.gz SBMTXHCJISEGBA-UHFFFAOYSA-N 0 2 363.395 2.480 20 5 FEBDLN O=C(c1c(O)cc(F)cc1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618868849 676355352 /nfs/dbraw/zinc/35/53/52/676355352.db2.gz STQYJDDXPGWNDX-UHFFFAOYSA-N 0 2 352.297 2.252 20 5 FEBDLN CC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000833709789 680198598 /nfs/dbraw/zinc/19/85/98/680198598.db2.gz YYLGAJPNPNXZLQ-SNVBAGLBSA-N 0 2 353.375 2.334 20 5 FEBDLN Cn1c(Cl)ncc1S(=O)(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000759707715 680664688 /nfs/dbraw/zinc/66/46/88/680664688.db2.gz IJOCZYUDXOXHLO-UHFFFAOYSA-N 0 2 351.171 2.436 20 5 FEBDLN CC(C)(C)OC(=O)N1CCC(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)CC1 ZINC000842492153 680950932 /nfs/dbraw/zinc/95/09/32/680950932.db2.gz VOWADLYVWFTSQE-VXGBXAGGSA-N 0 2 352.391 2.392 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000768848000 680961433 /nfs/dbraw/zinc/96/14/33/680961433.db2.gz KMGYDSDTFBMXSN-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc([N+](=O)[O-])c1F ZINC000769873124 680998060 /nfs/dbraw/zinc/99/80/60/680998060.db2.gz VISNATWHBFIOKU-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770857032 681029757 /nfs/dbraw/zinc/02/97/57/681029757.db2.gz OYVCMALIVGAXNW-JTMRULEUSA-N 0 2 365.411 2.497 20 5 FEBDLN CCC[N@@H+]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820919 682147372 /nfs/dbraw/zinc/14/73/72/682147372.db2.gz KUVQJEGMGXSSHZ-SECBINFHSA-N 0 2 365.814 2.150 20 5 FEBDLN CCC[N@H+]1CC[C@@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820919 682147378 /nfs/dbraw/zinc/14/73/78/682147378.db2.gz KUVQJEGMGXSSHZ-SECBINFHSA-N 0 2 365.814 2.150 20 5 FEBDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000788217060 682512086 /nfs/dbraw/zinc/51/20/86/682512086.db2.gz SLFOQEWGIZYQBN-QMMMGPOBSA-N 0 2 358.401 2.263 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000798135428 683311757 /nfs/dbraw/zinc/31/17/57/683311757.db2.gz SSQDXKBPRGUITC-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN C[C@@H]1CCN(c2ncc(F)cc2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000865954298 684051119 /nfs/dbraw/zinc/05/11/19/684051119.db2.gz ANTQQESBOCKMSU-APPZFPTMSA-N 0 2 350.272 2.022 20 5 FEBDLN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000014097470 539595164 /nfs/dbraw/zinc/59/51/64/539595164.db2.gz FTQUKLBVKOGGLQ-UHFFFAOYSA-N 0 2 370.408 2.189 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000042714788 540074637 /nfs/dbraw/zinc/07/46/37/540074637.db2.gz UYHRVKUNNLXJCK-AWEZNQCLSA-N 0 2 366.399 2.080 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301456 543650353 /nfs/dbraw/zinc/65/03/53/543650353.db2.gz UGXJXAKSYIGMHE-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000152803122 544698067 /nfs/dbraw/zinc/69/80/67/544698067.db2.gz OURCDKDCKNPJOG-UHFFFAOYSA-N 0 2 352.250 2.106 20 5 FEBDLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179420651 327642303 /nfs/dbraw/zinc/64/23/03/327642303.db2.gz FYXKLBZZVPAQIT-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184695931 327879399 /nfs/dbraw/zinc/87/93/99/327879399.db2.gz BNPIWPBKSOIOIL-UHFFFAOYSA-N 0 2 357.366 2.079 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000187953580 328056040 /nfs/dbraw/zinc/05/60/40/328056040.db2.gz ZGDUGSKWIYGARA-LLVKDONJSA-N 0 2 354.388 2.108 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000187952880 328056189 /nfs/dbraw/zinc/05/61/89/328056189.db2.gz NWBTUYZKNUBIGM-NSHDSACASA-N 0 2 368.415 2.416 20 5 FEBDLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000029669051 324450057 /nfs/dbraw/zinc/45/00/57/324450057.db2.gz AFQQIUDIRZTKDP-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(NCCNC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031899792 324472245 /nfs/dbraw/zinc/47/22/45/324472245.db2.gz RQJSHERABZSZNA-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000055630758 324783622 /nfs/dbraw/zinc/78/36/22/324783622.db2.gz MYTBJHQSXZCLTP-CYBMUJFWSA-N 0 2 366.399 2.080 20 5 FEBDLN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546760 325418920 /nfs/dbraw/zinc/41/89/20/325418920.db2.gz MNLCDCVFGVCQNK-INIZCTEOSA-N 0 2 355.350 2.212 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)ccc1Cl ZINC000131604579 326577965 /nfs/dbraw/zinc/57/79/65/326577965.db2.gz WVAVKOGHQDOBNR-JTQLQIEISA-N 0 2 372.790 2.207 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000161741615 327008093 /nfs/dbraw/zinc/00/80/93/327008093.db2.gz NNLYRBXVLRLGEJ-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164044140 327063457 /nfs/dbraw/zinc/06/34/57/327063457.db2.gz WGMJYIMPBKTNIZ-MRXNPFEDSA-N 0 2 371.393 2.104 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)COCC3)ccc1[N+](=O)[O-] ZINC000172316215 327195134 /nfs/dbraw/zinc/19/51/34/327195134.db2.gz UILDXRPTHIYGBQ-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262868153 328896159 /nfs/dbraw/zinc/89/61/59/328896159.db2.gz FWRLSMBQUVOUAX-IOASZLSFSA-N 0 2 370.365 2.106 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000267416405 329325074 /nfs/dbraw/zinc/32/50/74/329325074.db2.gz SEZRGRJWAMGNRT-UHFFFAOYSA-N 0 2 372.428 2.454 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(C(=O)N2CCCC2)CC1 ZINC000273369529 329859207 /nfs/dbraw/zinc/85/92/07/329859207.db2.gz PNBFABWDOANMQD-UHFFFAOYSA-N 0 2 362.386 2.167 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000276346621 330143321 /nfs/dbraw/zinc/14/33/21/330143321.db2.gz KCCDKBDVRIKWNF-GFCCVEGCSA-N 0 2 365.386 2.430 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000174768072 546303176 /nfs/dbraw/zinc/30/31/76/546303176.db2.gz XZLIUCYQELIYQV-UHFFFAOYSA-N 0 2 352.372 2.011 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)C1=NN(c2ccccc2)CC1=O ZINC000175577737 546313499 /nfs/dbraw/zinc/31/34/99/546313499.db2.gz UIIUDSAHYJMUHO-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000181876426 547396478 /nfs/dbraw/zinc/39/64/78/547396478.db2.gz UUJHFLVADGTBQY-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182183562 547448953 /nfs/dbraw/zinc/44/89/53/547448953.db2.gz HFGIBNSUJPGVSG-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN CCn1nnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000184802569 547880620 /nfs/dbraw/zinc/88/06/20/547880620.db2.gz LFYVRLQGQBZZHR-UHFFFAOYSA-N 0 2 354.326 2.226 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cccc1[N+](=O)[O-] ZINC000186492635 548143584 /nfs/dbraw/zinc/14/35/84/548143584.db2.gz UTQHLFPKVQKGCI-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN O=C(Cn1c2ccccc2c(=O)c2ccccc21)NOC[C@@H]1CCOC1 ZINC000188324633 548276123 /nfs/dbraw/zinc/27/61/23/548276123.db2.gz SJQPVFHIEKNTLB-CQSZACIVSA-N 0 2 352.390 2.239 20 5 FEBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nnc2n1CCCCC2 ZINC000274876796 550561773 /nfs/dbraw/zinc/56/17/73/550561773.db2.gz NPIIACNDQVDSHJ-ZDUSSCGKSA-N 0 2 359.386 2.499 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278881642 550832249 /nfs/dbraw/zinc/83/22/49/550832249.db2.gz OQMKMNJIZPKSNE-ZDUSSCGKSA-N 0 2 366.399 2.289 20 5 FEBDLN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000285914119 551826642 /nfs/dbraw/zinc/82/66/42/551826642.db2.gz IKMXJTXIEZXPFN-LBPRGKRZSA-N 0 2 351.359 2.041 20 5 FEBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCC(F)(F)Br ZINC000288646524 552191330 /nfs/dbraw/zinc/19/13/30/552191330.db2.gz UBXRBJOFTJGGLB-UHFFFAOYSA-N 0 2 373.175 2.044 20 5 FEBDLN O=c1nc2[nH]cc(-c3nc(-c4cccc([N+](=O)[O-])c4)no3)cc-2c(=O)[nH]1 ZINC000504990550 561665085 /nfs/dbraw/zinc/66/50/85/561665085.db2.gz GTEAOFZLJDOKGH-UHFFFAOYSA-N 0 2 352.266 2.061 20 5 FEBDLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000325997564 553778790 /nfs/dbraw/zinc/77/87/90/553778790.db2.gz FIXRBGCTAJZAJZ-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508072824 561750404 /nfs/dbraw/zinc/75/04/04/561750404.db2.gz ICDYZYNAIPGPKI-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN Cc1cc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)ccc1[N+](=O)[O-] ZINC000508087801 561751146 /nfs/dbraw/zinc/75/11/46/561751146.db2.gz XWROWGTWOMNJNT-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509629899 561808007 /nfs/dbraw/zinc/80/80/07/561808007.db2.gz YPYXREBUSGNBRM-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(C(=O)OC)c1 ZINC000509741612 561812239 /nfs/dbraw/zinc/81/22/39/561812239.db2.gz DZIAEMGTUKIUBC-UHFFFAOYSA-N 0 2 374.305 2.126 20 5 FEBDLN Cc1noc([C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000364431442 555312760 /nfs/dbraw/zinc/31/27/60/555312760.db2.gz FJHYKRUCKCHDCU-OAHLLOKOSA-N 0 2 374.378 2.354 20 5 FEBDLN CN1Cc2cc(-c3csc(NC(=O)[C@H]4C[C@@H]4[N+](=O)[O-])n3)ccc2NC1=O ZINC000365421933 555570982 /nfs/dbraw/zinc/57/09/82/555570982.db2.gz UIZMXWDBLFQZIO-GWCFXTLKSA-N 0 2 373.394 2.391 20 5 FEBDLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000513816092 561951065 /nfs/dbraw/zinc/95/10/65/561951065.db2.gz HYCXGCCDAWNSKY-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000366797837 555936520 /nfs/dbraw/zinc/93/65/20/555936520.db2.gz DZZKQLLCGZDLKY-AWEZNQCLSA-N 0 2 355.350 2.226 20 5 FEBDLN COc1ccc2c(c1)[C@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000367549364 556079558 /nfs/dbraw/zinc/07/95/58/556079558.db2.gz GMWHBBKJXOHURL-LJQANCHMSA-N 0 2 372.377 2.263 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)ccc1[N+](=O)[O-] ZINC000368675939 556382674 /nfs/dbraw/zinc/38/26/74/556382674.db2.gz PNHGWPSOVTWTGI-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000370366037 556851515 /nfs/dbraw/zinc/85/15/15/556851515.db2.gz IOEOQLUPQHIDGI-CABCVRRESA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000373835463 557769731 /nfs/dbraw/zinc/76/97/31/557769731.db2.gz LJCXXYKBPRVJLR-UHFFFAOYSA-N 0 2 367.365 2.363 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000376837243 558228130 /nfs/dbraw/zinc/22/81/30/558228130.db2.gz SZYBKUWPPTVZJK-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN COC(=O)[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccs1 ZINC000522024691 562189652 /nfs/dbraw/zinc/18/96/52/562189652.db2.gz DAGQAYXJZVEZKV-LBPRGKRZSA-N 0 2 370.408 2.157 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H](CC(C)C)OC)cc([N+](=O)[O-])c1 ZINC000421148493 559526808 /nfs/dbraw/zinc/52/68/08/559526808.db2.gz GPKOCWUHSMECCA-AWEZNQCLSA-N 0 2 374.415 2.184 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000422038519 559562197 /nfs/dbraw/zinc/56/21/97/559562197.db2.gz BNKWNHYQIWKGKW-HNNXBMFYSA-N 0 2 361.398 2.211 20 5 FEBDLN C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000424258973 559659596 /nfs/dbraw/zinc/65/95/96/559659596.db2.gz OINFGLYKCNAJSJ-NHYWBVRUSA-N 0 2 358.354 2.106 20 5 FEBDLN Cc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cn2n1 ZINC000430358789 559818480 /nfs/dbraw/zinc/81/84/80/559818480.db2.gz QOEBSRRRUPTWHL-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(F)c(NC(N)=O)c1 ZINC000431181084 559835640 /nfs/dbraw/zinc/83/56/40/559835640.db2.gz JHYQITQAUPUXJF-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635684 559947424 /nfs/dbraw/zinc/94/74/24/559947424.db2.gz VIXYHZARAMWFNZ-UHFFFAOYSA-N 0 2 364.379 2.406 20 5 FEBDLN COc1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC ZINC000436675370 559948578 /nfs/dbraw/zinc/94/85/78/559948578.db2.gz VCFGIYLIIPZWSL-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN NC(=O)N1CCCc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)cc21 ZINC000436819245 559953017 /nfs/dbraw/zinc/95/30/17/559953017.db2.gz DBJGEKNXDMFMDT-UHFFFAOYSA-N 0 2 356.338 2.384 20 5 FEBDLN CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nnc2ccccn21 ZINC000436960666 559957486 /nfs/dbraw/zinc/95/74/86/559957486.db2.gz HSKCGBPPFZYQOG-HNNXBMFYSA-N 0 2 355.354 2.470 20 5 FEBDLN NC(=O)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)cc1 ZINC000436954975 559957519 /nfs/dbraw/zinc/95/75/19/559957519.db2.gz BLVWDMSPFDZDDY-UHFFFAOYSA-N 0 2 355.350 2.204 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)cc1 ZINC000436965079 559957651 /nfs/dbraw/zinc/95/76/51/559957651.db2.gz JYIJIODNKCRVRA-HNNXBMFYSA-N 0 2 358.350 2.295 20 5 FEBDLN CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970711 559957838 /nfs/dbraw/zinc/95/78/38/559957838.db2.gz FXXAKVWQBRSADH-UHFFFAOYSA-N 0 2 355.310 2.018 20 5 FEBDLN CCOC(=O)COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436990380 559958674 /nfs/dbraw/zinc/95/86/74/559958674.db2.gz REZDIJRNIPUARP-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000442920299 560062161 /nfs/dbraw/zinc/06/21/61/560062161.db2.gz GXXYIHFXUKTUFD-OAHLLOKOSA-N 0 2 361.398 2.354 20 5 FEBDLN O=[N+]([O-])c1ccc([C@@H]2SCCN2S(=O)(=O)NCC(F)(F)F)cc1 ZINC000443041795 560067271 /nfs/dbraw/zinc/06/72/71/560067271.db2.gz BIFLNNDDDPYMSV-JTQLQIEISA-N 0 2 371.362 2.039 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc[nH]c(=O)c1Br ZINC000446224358 560142228 /nfs/dbraw/zinc/14/22/28/560142228.db2.gz FWTFWOCGZYQLSF-UHFFFAOYSA-N 0 2 354.116 2.416 20 5 FEBDLN CCn1nccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451094941 560286807 /nfs/dbraw/zinc/28/68/07/560286807.db2.gz JIGNFENEILPWPK-UHFFFAOYSA-N 0 2 353.404 2.432 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1n1cccn1 ZINC000456646496 560527213 /nfs/dbraw/zinc/52/72/13/560527213.db2.gz JMTZYTNYGDHUGW-DAXOMENPSA-N 0 2 374.397 2.424 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1C ZINC000463471021 560816156 /nfs/dbraw/zinc/81/61/56/560816156.db2.gz PYKULTSCRPBNFJ-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000466961948 560900569 /nfs/dbraw/zinc/90/05/69/560900569.db2.gz RESUXHPZNUXLAA-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN Cc1ccc(NCCCNC(=O)N=c2cc(C)c(C)n[nH]2)c([N+](=O)[O-])c1 ZINC000467478865 560910863 /nfs/dbraw/zinc/91/08/63/560910863.db2.gz WVFVNQAVLDDIQJ-UHFFFAOYSA-N 0 2 358.402 2.934 20 5 FEBDLN COC(=O)c1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1C ZINC000467772842 560916949 /nfs/dbraw/zinc/91/69/49/560916949.db2.gz PKSOLWUIHZBZEN-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN CC(C)c1nnc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])s1 ZINC000467776879 560917051 /nfs/dbraw/zinc/91/70/51/560917051.db2.gz UUIOUJSPZUVPIH-UHFFFAOYSA-N 0 2 360.392 2.187 20 5 FEBDLN C[C@@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC(=O)N1Cc1ccccc1 ZINC000467830443 560918420 /nfs/dbraw/zinc/91/84/20/560918420.db2.gz BCULYMPEJXVHQS-DOMZBBRYSA-N 0 2 369.377 2.220 20 5 FEBDLN COC(=O)COc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c(C)c1 ZINC000469559683 560958049 /nfs/dbraw/zinc/95/80/49/560958049.db2.gz AVZIQCTWPACZRJ-UHFFFAOYSA-N 0 2 360.322 2.413 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cn2)CC1 ZINC000469634130 560960250 /nfs/dbraw/zinc/96/02/50/560960250.db2.gz RAPNHTPFMLVAEM-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)ccc1[N+](=O)[O-] ZINC000472422035 561026148 /nfs/dbraw/zinc/02/61/48/561026148.db2.gz VYFYWNAKXZNIQM-UHFFFAOYSA-N 0 2 366.327 2.193 20 5 FEBDLN CNC(=O)c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc2[nH]1 ZINC000473573599 561053061 /nfs/dbraw/zinc/05/30/61/561053061.db2.gz BGYSGPCEKIDOAD-UHFFFAOYSA-N 0 2 354.322 2.394 20 5 FEBDLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475829887 561106405 /nfs/dbraw/zinc/10/64/05/561106405.db2.gz RPPBWYKWDOSDDC-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN Cc1ccc(NS(C)(=O)=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000534803066 562542810 /nfs/dbraw/zinc/54/28/10/562542810.db2.gz KXVKGESZDSWINO-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)s1 ZINC000546172038 562634669 /nfs/dbraw/zinc/63/46/69/562634669.db2.gz GDORARQWDNJBKR-UHFFFAOYSA-N 0 2 360.335 2.046 20 5 FEBDLN O=C([O-])N1CC[C@H]([N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)C1 ZINC000834086386 605776948 /nfs/dbraw/zinc/77/69/48/605776948.db2.gz YGTGZNDGIFPHQV-AWEZNQCLSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@H]([N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)C1 ZINC000834086386 605776953 /nfs/dbraw/zinc/77/69/53/605776953.db2.gz YGTGZNDGIFPHQV-AWEZNQCLSA-N 0 2 373.369 2.362 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@H](NC(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000833954242 605816656 /nfs/dbraw/zinc/81/66/56/605816656.db2.gz HMEBFQSXQGICEB-LSDHHAIUSA-N 0 2 359.386 2.054 20 5 FEBDLN Cc1noc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815008371 674894622 /nfs/dbraw/zinc/89/46/22/674894622.db2.gz DAMPGVJAKIOMJE-RXMQYKEDSA-N 0 2 364.742 2.118 20 5 FEBDLN Nc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1[N+](=O)[O-] ZINC000055572195 670351925 /nfs/dbraw/zinc/35/19/25/670351925.db2.gz AVHDWJNIOPAAFD-UHFFFAOYSA-N 0 2 367.774 2.279 20 5 FEBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000078734001 670593178 /nfs/dbraw/zinc/59/31/78/670593178.db2.gz QLOQJQCMJLQHCO-UHFFFAOYSA-N 0 2 353.404 2.372 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(C3CC3)s2)ccc1[N+](=O)[O-] ZINC000572089605 670959778 /nfs/dbraw/zinc/95/97/78/670959778.db2.gz FBACLROZQYJANP-UHFFFAOYSA-N 0 2 356.385 2.133 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000538002751 673416597 /nfs/dbraw/zinc/41/65/97/673416597.db2.gz QXYLWWBQZOETRV-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c([N+](=O)[O-])cc1OC ZINC000600228726 673750231 /nfs/dbraw/zinc/75/02/31/673750231.db2.gz QQUYZYHASIOVIQ-UHFFFAOYSA-N 0 2 364.383 2.189 20 5 FEBDLN Cn1nc(C2CCOCC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000600669838 673790493 /nfs/dbraw/zinc/79/04/93/673790493.db2.gz HCKFSZGPBFCLCY-UHFFFAOYSA-N 0 2 366.399 2.023 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c(OC)n1 ZINC000604471257 675805164 /nfs/dbraw/zinc/80/51/64/675805164.db2.gz QJXWWBAFOHKNRM-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000619466234 676378056 /nfs/dbraw/zinc/37/80/56/676378056.db2.gz ZFPOFCYHUBDJOL-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000619507083 676382582 /nfs/dbraw/zinc/38/25/82/676382582.db2.gz AQJXSVAAARUFHT-UHFFFAOYSA-N 0 2 358.401 2.379 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000830784022 677060403 /nfs/dbraw/zinc/06/04/03/677060403.db2.gz DBCNHCXJCQDWPI-ZDUSSCGKSA-N 0 2 363.267 2.017 20 5 FEBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000768509733 680948811 /nfs/dbraw/zinc/94/88/11/680948811.db2.gz SOFYZBDDLCEWRC-UHFFFAOYSA-N 0 2 359.360 2.004 20 5 FEBDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000788479067 682532594 /nfs/dbraw/zinc/53/25/94/682532594.db2.gz XIKITWGFKKANPB-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN CN=c1[nH]nc(CC(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000544780763 541830145 /nfs/dbraw/zinc/83/01/45/541830145.db2.gz PZPOHCNPFBXYPB-UHFFFAOYSA-N 0 2 355.807 2.043 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1C ZINC000551020746 674120693 /nfs/dbraw/zinc/12/06/93/674120693.db2.gz POKZHWVEAZVROT-UHFFFAOYSA-N 0 2 368.415 2.430 20 5 FEBDLN O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000551913689 674172226 /nfs/dbraw/zinc/17/22/26/674172226.db2.gz ZEZWMFXRSLQEJV-UHFFFAOYSA-N 0 2 366.765 2.483 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c([N+](=O)[O-])c1 ZINC000118301322 543650392 /nfs/dbraw/zinc/65/03/92/543650392.db2.gz AXNICPXRALPCTA-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000121271172 543691584 /nfs/dbraw/zinc/69/15/84/543691584.db2.gz FXJVJVMGCDDRAW-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000124952246 543853620 /nfs/dbraw/zinc/85/36/20/543853620.db2.gz CKWRACZLTISOHU-LBPRGKRZSA-N 0 2 357.370 2.247 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)cc1[N+](=O)[O-] ZINC000126911856 543962827 /nfs/dbraw/zinc/96/28/27/543962827.db2.gz RNMIPMGCGRZMEN-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1[N+](=O)[O-] ZINC000126911856 543962831 /nfs/dbraw/zinc/96/28/31/543962831.db2.gz RNMIPMGCGRZMEN-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])c(O)c3)nc2c1 ZINC000133559432 544275172 /nfs/dbraw/zinc/27/51/72/544275172.db2.gz UDYQYDYRYZBWLN-UHFFFAOYSA-N 0 2 362.367 2.094 20 5 FEBDLN Cn1cnc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n1 ZINC000185635943 327925767 /nfs/dbraw/zinc/92/57/67/327925767.db2.gz ABBFZQJGIULTAF-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187527756 328031794 /nfs/dbraw/zinc/03/17/94/328031794.db2.gz OCAHTCMOIRBQTE-INIZCTEOSA-N 0 2 373.340 2.061 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000187971705 328057543 /nfs/dbraw/zinc/05/75/43/328057543.db2.gz VMMKYNBUDVUCED-JTQLQIEISA-N 0 2 354.388 2.108 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2nncn2C)cc1 ZINC000121300523 326328130 /nfs/dbraw/zinc/32/81/30/326328130.db2.gz CTFAVWYRIURPJT-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)n(C)n1 ZINC000162318570 327022184 /nfs/dbraw/zinc/02/21/84/327022184.db2.gz BMBGRXRPQIESFR-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2)c([N+](=O)[O-])c1 ZINC000266651340 329245852 /nfs/dbraw/zinc/24/58/52/329245852.db2.gz YOBFNUITJGZAOD-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000267633915 329345089 /nfs/dbraw/zinc/34/50/89/329345089.db2.gz XFOVAZNKEDECTK-SNVBAGLBSA-N 0 2 353.375 2.286 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000274852928 329986198 /nfs/dbraw/zinc/98/61/98/329986198.db2.gz UNMBWXCYHRYWDZ-OAHLLOKOSA-N 0 2 364.398 2.491 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000479272521 561186391 /nfs/dbraw/zinc/18/63/91/561186391.db2.gz DBRARLHIMHZNOD-UHFFFAOYSA-N 0 2 354.388 2.261 20 5 FEBDLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000481596141 561237006 /nfs/dbraw/zinc/23/70/06/561237006.db2.gz VIUGVMGCPIYLDR-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN C[C@](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000180127914 547056858 /nfs/dbraw/zinc/05/68/58/547056858.db2.gz VHTRPTQPSSSXES-MRXNPFEDSA-N 0 2 363.757 2.084 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000484019387 561289635 /nfs/dbraw/zinc/28/96/35/561289635.db2.gz YVXQFWNBMGFQOR-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN Cn1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(Br)c1=O ZINC000184860203 547888547 /nfs/dbraw/zinc/88/85/47/547888547.db2.gz ZJFRWBRWAQCUSR-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN Cc1[nH]nc(C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)c1[N+](=O)[O-] ZINC000485145230 561313822 /nfs/dbraw/zinc/31/38/22/561313822.db2.gz VVLMBHVFYLNOEU-UHFFFAOYSA-N 0 2 353.298 2.410 20 5 FEBDLN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000185799967 548037743 /nfs/dbraw/zinc/03/77/43/548037743.db2.gz SEFGCTGBBCFTNE-INIZCTEOSA-N 0 2 373.340 2.061 20 5 FEBDLN O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2nc3c(s2)COCC3)c1 ZINC000194586585 548501771 /nfs/dbraw/zinc/50/17/71/548501771.db2.gz CZIHXQSYPAHVQX-UHFFFAOYSA-N 0 2 355.397 2.066 20 5 FEBDLN Cc1noc2ncc(C(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)n[nH]3)cc12 ZINC000490401125 561432363 /nfs/dbraw/zinc/43/23/63/561432363.db2.gz RYXBDHBGOJHDSJ-UHFFFAOYSA-N 0 2 365.309 2.477 20 5 FEBDLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269364730 550186275 /nfs/dbraw/zinc/18/62/75/550186275.db2.gz QNMLKEUBOKTYJX-UHFFFAOYSA-N 0 2 358.354 2.093 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000272521055 550455320 /nfs/dbraw/zinc/45/53/20/550455320.db2.gz XRBDBXIPRKXJTA-UHFFFAOYSA-N 0 2 362.314 2.373 20 5 FEBDLN CCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000285914117 551826735 /nfs/dbraw/zinc/82/67/35/551826735.db2.gz IKMXJTXIEZXPFN-GFCCVEGCSA-N 0 2 351.359 2.041 20 5 FEBDLN CCn1c(C)nc([N+](=O)[O-])c1NCc1nnc(COc2ccccc2)[nH]1 ZINC000289759662 552374102 /nfs/dbraw/zinc/37/41/02/552374102.db2.gz VLTBNGFFFZMVQJ-UHFFFAOYSA-N 0 2 357.374 2.429 20 5 FEBDLN O=[N+]([O-])c1cc(F)c(S(=O)(=O)N[C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000290820043 552543698 /nfs/dbraw/zinc/54/36/98/552543698.db2.gz SYAGMNOMXRTCMW-JTQLQIEISA-N 0 2 374.781 2.466 20 5 FEBDLN CCNC(=O)COc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505307353 561669440 /nfs/dbraw/zinc/66/94/40/561669440.db2.gz DRYHPERYUCSICL-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN CC(C)Oc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1C(N)=O ZINC000507077343 561716668 /nfs/dbraw/zinc/71/66/68/561716668.db2.gz KRAHUGFQFHYCBV-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1F ZINC000509380395 561797164 /nfs/dbraw/zinc/79/71/64/561797164.db2.gz WEMBOSKTDZGUEE-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN CS(=O)(=O)Cc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000509815103 561814984 /nfs/dbraw/zinc/81/49/84/561814984.db2.gz YNDILVUBWPDSPB-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN CCOC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000509823528 561815326 /nfs/dbraw/zinc/81/53/26/561815326.db2.gz ZJFGYBFUGUUHPV-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(C)cc1 ZINC000510673432 561843010 /nfs/dbraw/zinc/84/30/10/561843010.db2.gz BLLFHTFWYTZBHN-OAHLLOKOSA-N 0 2 358.350 2.295 20 5 FEBDLN Cn1nc(-c2ccccc2)nc1CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000360645178 554883704 /nfs/dbraw/zinc/88/37/04/554883704.db2.gz YFRKRHDKHXLEEZ-UHFFFAOYSA-N 0 2 367.365 2.068 20 5 FEBDLN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C[C@H](C)O2 ZINC000367639722 556102771 /nfs/dbraw/zinc/10/27/71/556102771.db2.gz WYWBCYQMBUCEJV-BWACUDIHSA-N 0 2 350.371 2.099 20 5 FEBDLN CC(C)(C)c1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc(C(=O)[O-])[nH+]1 ZINC000515654828 562018543 /nfs/dbraw/zinc/01/85/43/562018543.db2.gz AVXOXQVZWGSYNT-UHFFFAOYSA-N 0 2 374.401 2.419 20 5 FEBDLN COc1ccc2c(c1)[C@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000371366818 557163258 /nfs/dbraw/zinc/16/32/58/557163258.db2.gz OJLWWXRQGOEJGK-LJQANCHMSA-N 0 2 372.377 2.263 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C[C@H]2O ZINC000371611031 557238471 /nfs/dbraw/zinc/23/84/71/557238471.db2.gz HZUWQNDOPOOPEK-CQSZACIVSA-N 0 2 374.349 2.007 20 5 FEBDLN CCCc1[nH]nc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1[N+](=O)[O-] ZINC000517977785 562101793 /nfs/dbraw/zinc/10/17/93/562101793.db2.gz RMRQIGODIKDSPM-UHFFFAOYSA-N 0 2 357.330 2.013 20 5 FEBDLN CC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607768 557519378 /nfs/dbraw/zinc/51/93/78/557519378.db2.gz VZINXZOJSFMUNX-QGZVFWFLSA-N 0 2 360.458 2.402 20 5 FEBDLN Cc1nc(CO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cs1 ZINC000373744499 557749940 /nfs/dbraw/zinc/74/99/40/557749940.db2.gz DJPLYSWYJRUWQA-ZDUSSCGKSA-N 0 2 363.395 2.497 20 5 FEBDLN COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[NH2+]1 ZINC000374344252 557868787 /nfs/dbraw/zinc/86/87/87/557868787.db2.gz CRIURUWHZFCBDT-AWEZNQCLSA-N 0 2 357.366 2.096 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1occ2c1CCOC2 ZINC000376737930 558215194 /nfs/dbraw/zinc/21/51/94/558215194.db2.gz ZUTXTWSFHDPVIY-UHFFFAOYSA-N 0 2 355.310 2.298 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000376829133 558226850 /nfs/dbraw/zinc/22/68/50/558226850.db2.gz SAGZJJGEOIIFJX-ZDUSSCGKSA-N 0 2 361.398 2.165 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000377698437 558400390 /nfs/dbraw/zinc/40/03/90/558400390.db2.gz VCVRHGIMHDXNEC-GFCCVEGCSA-N 0 2 367.365 2.363 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC[C@H]2CCCO2)CC1 ZINC000377823562 558427618 /nfs/dbraw/zinc/42/76/18/558427618.db2.gz KRFDYQRAKFLLGT-CQSZACIVSA-N 0 2 350.371 2.101 20 5 FEBDLN COCCOc1ncccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000524381193 562227685 /nfs/dbraw/zinc/22/76/85/562227685.db2.gz RRQNMLZMMMOMDR-UHFFFAOYSA-N 0 2 367.383 2.124 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000410415608 558756311 /nfs/dbraw/zinc/75/63/11/558756311.db2.gz DSDCZRZFFQPHRN-UHFFFAOYSA-N 0 2 361.379 2.441 20 5 FEBDLN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000413947757 559142586 /nfs/dbraw/zinc/14/25/86/559142586.db2.gz UMGYASAATUJUQS-MEDUHNTESA-N 0 2 360.370 2.024 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(F)c(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000431155809 559835027 /nfs/dbraw/zinc/83/50/27/559835027.db2.gz BWOVJLKCMLWTKT-UHFFFAOYSA-N 0 2 374.375 2.395 20 5 FEBDLN CC(=O)Nc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436671306 559948457 /nfs/dbraw/zinc/94/84/57/559948457.db2.gz VMJWAGUYLIAZOH-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867916 559954831 /nfs/dbraw/zinc/95/48/31/559954831.db2.gz FYJKRCBQCMCNNE-OAHLLOKOSA-N 0 2 356.334 2.041 20 5 FEBDLN CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436888754 559955480 /nfs/dbraw/zinc/95/54/80/559955480.db2.gz UAZANMWWAFNOEO-UHFFFAOYSA-N 0 2 362.342 2.047 20 5 FEBDLN CN(C)C(=O)Nc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436932696 559956887 /nfs/dbraw/zinc/95/68/87/559956887.db2.gz QOLHFNCWLDXZTO-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN CN(C)C(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436952655 559957236 /nfs/dbraw/zinc/95/72/36/559957236.db2.gz YCWWSRAWVTUYEB-HNNXBMFYSA-N 0 2 357.366 2.250 20 5 FEBDLN CCOc1ccc(NC(=O)CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436964254 559957783 /nfs/dbraw/zinc/95/77/83/559957783.db2.gz GEASTUXFONIOMC-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN CCOC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436980727 559958391 /nfs/dbraw/zinc/95/83/91/559958391.db2.gz OSJCCFWXNGJZTB-HNNXBMFYSA-N 0 2 358.350 2.377 20 5 FEBDLN CCOC(=O)Cc1csc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000469559039 560958009 /nfs/dbraw/zinc/95/80/09/560958009.db2.gz SJZLYBIOOIILJR-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN O=C(NCCc1csc(N2CCCC2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469647790 560960815 /nfs/dbraw/zinc/96/08/15/560960815.db2.gz JVPMPMPZSCNYRQ-UHFFFAOYSA-N 0 2 362.411 2.330 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000472439569 561026576 /nfs/dbraw/zinc/02/65/76/561026576.db2.gz UFLDQUQMKZYVFO-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN NC(=[NH+]OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(=O)[O-])c1 ZINC000833078976 600807621 /nfs/dbraw/zinc/80/76/21/600807621.db2.gz UFJRNZBVJQVPPJ-UHFFFAOYSA-N 0 2 373.321 2.206 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740175363 601854985 /nfs/dbraw/zinc/85/49/85/601854985.db2.gz QNZQZHJTUNOSEW-ZDUSSCGKSA-N 0 2 364.402 2.164 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](CN(C)C(=O)[O-])C1 ZINC000740175363 601854986 /nfs/dbraw/zinc/85/49/86/601854986.db2.gz QNZQZHJTUNOSEW-ZDUSSCGKSA-N 0 2 364.402 2.164 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000739582221 601980417 /nfs/dbraw/zinc/98/04/17/601980417.db2.gz BIKUPUKAHQFHIZ-CYBMUJFWSA-N 0 2 351.359 2.036 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000739582221 601980419 /nfs/dbraw/zinc/98/04/19/601980419.db2.gz BIKUPUKAHQFHIZ-CYBMUJFWSA-N 0 2 351.359 2.036 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739177709 602777833 /nfs/dbraw/zinc/77/78/33/602777833.db2.gz HOFZYRRPCRHGNI-KOLCDFICSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739177709 602777835 /nfs/dbraw/zinc/77/78/35/602777835.db2.gz HOFZYRRPCRHGNI-KOLCDFICSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739181250 602794587 /nfs/dbraw/zinc/79/45/87/602794587.db2.gz RJLNVZZAXMNKFQ-BXKDBHETSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739181250 602794588 /nfs/dbraw/zinc/79/45/88/602794588.db2.gz RJLNVZZAXMNKFQ-BXKDBHETSA-N 0 2 370.793 2.165 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000833954822 605816561 /nfs/dbraw/zinc/81/65/61/605816561.db2.gz NFCVLZYUJZZHME-ZFWWWQNUSA-N 0 2 359.386 2.150 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@H](NC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833956186 605817412 /nfs/dbraw/zinc/81/74/12/605817412.db2.gz XUEBBSOIKQQRCQ-GJZGRUSLSA-N 0 2 359.386 2.054 20 5 FEBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000565423316 675120431 /nfs/dbraw/zinc/12/04/31/675120431.db2.gz FCLOFULIGRTMKB-UHFFFAOYSA-N 0 2 362.411 2.380 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)cs1 ZINC000120147335 671918214 /nfs/dbraw/zinc/91/82/14/671918214.db2.gz HXWQISMZUVWNJE-UHFFFAOYSA-N 0 2 351.369 2.038 20 5 FEBDLN O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000588785191 672481338 /nfs/dbraw/zinc/48/13/38/672481338.db2.gz AMGBDEXMLICFLX-LLVKDONJSA-N 0 2 350.758 2.460 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731903058 673347015 /nfs/dbraw/zinc/34/70/15/673347015.db2.gz ZQAHGGTZNRLTEX-UHFFFAOYSA-N 0 2 373.774 2.472 20 5 FEBDLN COC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000536704508 673377507 /nfs/dbraw/zinc/37/75/07/673377507.db2.gz AJQAGLXDYRCNQU-CYBMUJFWSA-N 0 2 354.359 2.400 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000597491617 673482203 /nfs/dbraw/zinc/48/22/03/673482203.db2.gz PCMCWBGQGFFYQY-NXEZZACHSA-N 0 2 364.276 2.223 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cn1 ZINC000539853390 673509726 /nfs/dbraw/zinc/50/97/26/673509726.db2.gz CMSRGBGBYYQWSM-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000539922688 673513323 /nfs/dbraw/zinc/51/33/23/673513323.db2.gz AOEUROWHTWGEQB-UHFFFAOYSA-N 0 2 363.399 2.160 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000819970485 675328142 /nfs/dbraw/zinc/32/81/42/675328142.db2.gz LRMYJDINCGQAEM-SECBINFHSA-N 0 2 352.734 2.357 20 5 FEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2c(Cl)cc(Br)cc21 ZINC000841236700 680870519 /nfs/dbraw/zinc/87/05/19/680870519.db2.gz HPMFEBHURKSVEO-VXNVDRBHSA-N 0 2 361.579 2.493 20 5 FEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cn3ccc(Br)cc3n2)no1 ZINC000842506843 680951159 /nfs/dbraw/zinc/95/11/59/680951159.db2.gz QKGAHNPCIWGCHD-VXNVDRBHSA-N 0 2 350.132 2.279 20 5 FEBDLN CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000843968385 681029122 /nfs/dbraw/zinc/02/91/22/681029122.db2.gz SADNIWDWMRGELY-NSHDSACASA-N 0 2 362.308 2.278 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)OCc1ccccc1Cl ZINC000772989445 681121248 /nfs/dbraw/zinc/12/12/48/681121248.db2.gz SJMIGSCTIQTJRI-UHFFFAOYSA-N 0 2 364.741 2.427 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)COc1c(Cl)cccc1[N+](=O)[O-] ZINC000865359503 683973622 /nfs/dbraw/zinc/97/36/22/683973622.db2.gz MVDIVGWZFNQXFG-UHFFFAOYSA-N 0 2 354.668 2.265 20 5 FEBDLN NC(=O)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C2CC2)cc1 ZINC000031175859 539900609 /nfs/dbraw/zinc/90/06/09/539900609.db2.gz ONWUWNGXLFYXRL-UHFFFAOYSA-N 0 2 355.350 2.204 20 5 FEBDLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047383511 540306625 /nfs/dbraw/zinc/30/66/25/540306625.db2.gz JIBACGCJBXCCBK-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN O=C(Nc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccc([N+](=O)[O-])c(O)c1 ZINC000060628551 541119447 /nfs/dbraw/zinc/11/94/47/541119447.db2.gz BRYIFFGOYBVZQL-UHFFFAOYSA-N 0 2 366.333 2.209 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1C ZINC000066250330 541294869 /nfs/dbraw/zinc/29/48/69/541294869.db2.gz HSBRVJQFUOXSMY-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066637427 541353010 /nfs/dbraw/zinc/35/30/10/541353010.db2.gz UWGXLAYZGRIPSA-LLVKDONJSA-N 0 2 362.367 2.000 20 5 FEBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(F)cc([N+](=O)[O-])c2N)n1 ZINC000103188963 543096280 /nfs/dbraw/zinc/09/62/80/543096280.db2.gz QWGMMPORTSIZNC-UHFFFAOYSA-N 0 2 372.316 2.362 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1C ZINC000187505766 328030345 /nfs/dbraw/zinc/03/03/45/328030345.db2.gz HIXLSTZIEHQRLL-UHFFFAOYSA-N 0 2 372.378 2.377 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000187952909 328055928 /nfs/dbraw/zinc/05/59/28/328055928.db2.gz NWBTUYZKNUBIGM-LLVKDONJSA-N 0 2 368.415 2.416 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(N)=O)c(C)c2)c1[N+](=O)[O-] ZINC000189286519 328139229 /nfs/dbraw/zinc/13/92/29/328139229.db2.gz DZEZAWNNKHXKGK-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000238020256 328538198 /nfs/dbraw/zinc/53/81/98/328538198.db2.gz CCFASENVSULCCN-INIZCTEOSA-N 0 2 366.333 2.336 20 5 FEBDLN Cn1ncc2c1[nH]cc(C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)c2=O ZINC000119405405 326158327 /nfs/dbraw/zinc/15/83/27/326158327.db2.gz GQXVTFITTBLCHA-UHFFFAOYSA-N 0 2 367.365 2.387 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnc2N(C)C)c1C ZINC000120984928 326304103 /nfs/dbraw/zinc/30/41/03/326304103.db2.gz YIIHFRKDDKNRHC-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000163201964 327045506 /nfs/dbraw/zinc/04/55/06/327045506.db2.gz YKHNHXOHSIPYIR-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)[nH]n2)cc1[N+](=O)[O-] ZINC000163201964 327045507 /nfs/dbraw/zinc/04/55/07/327045507.db2.gz YKHNHXOHSIPYIR-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000265987924 329179387 /nfs/dbraw/zinc/17/93/87/329179387.db2.gz PPINKKFAZOQXTH-GFCCVEGCSA-N 0 2 365.386 2.334 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c([N+](=O)[O-])c1 ZINC000267613094 329343213 /nfs/dbraw/zinc/34/32/13/329343213.db2.gz CZZYSDGPRJSPCP-UHFFFAOYSA-N 0 2 372.428 2.454 20 5 FEBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nnc2ccccn21 ZINC000479783642 561196990 /nfs/dbraw/zinc/19/69/90/561196990.db2.gz WVFRMZSFKMWXNF-OAHLLOKOSA-N 0 2 355.354 2.470 20 5 FEBDLN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000182148446 547444848 /nfs/dbraw/zinc/44/48/48/547444848.db2.gz PVETUHRIYRWHQE-UHFFFAOYSA-N 0 2 358.276 2.325 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000183903160 547736907 /nfs/dbraw/zinc/73/69/07/547736907.db2.gz KWPQFEQVKRTOCU-UHFFFAOYSA-N 0 2 370.296 2.238 20 5 FEBDLN O=C(CCc1nc(-c2ccccn2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183915047 547738957 /nfs/dbraw/zinc/73/89/57/547738957.db2.gz JSBSEOOWZLLGPP-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN COc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c1 ZINC000184593777 547850862 /nfs/dbraw/zinc/85/08/62/547850862.db2.gz AJKHTZWNLGJJER-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN O=C(NCc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184706696 547868043 /nfs/dbraw/zinc/86/80/43/547868043.db2.gz ZZOLGSSYNIIZFP-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186162173 548093083 /nfs/dbraw/zinc/09/30/83/548093083.db2.gz UDFILELGZWYBJQ-GFCCVEGCSA-N 0 2 363.414 2.315 20 5 FEBDLN COC(=O)c1ccc(Cl)c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000486052504 561336872 /nfs/dbraw/zinc/33/68/72/561336872.db2.gz JICLYKPQFFVABI-HYXAFXHYSA-N 0 2 351.702 2.406 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000486557085 561350627 /nfs/dbraw/zinc/35/06/27/561350627.db2.gz FRKUKNBQFQZWLU-UHFFFAOYSA-N 0 2 366.330 2.420 20 5 FEBDLN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262868154 549857572 /nfs/dbraw/zinc/85/75/72/549857572.db2.gz FWRLSMBQUVOUAX-WWGRRREGSA-N 0 2 370.365 2.106 20 5 FEBDLN C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000262988802 549868866 /nfs/dbraw/zinc/86/88/66/549868866.db2.gz LGIKWHLCIBROIC-ABAIWWIYSA-N 0 2 358.354 2.106 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c1C ZINC000270445835 550273185 /nfs/dbraw/zinc/27/31/85/550273185.db2.gz BWGJYPHWPBNRDV-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000274361268 550534503 /nfs/dbraw/zinc/53/45/03/550534503.db2.gz NINPSWYIPVYUFQ-LBPRGKRZSA-N 0 2 350.371 2.494 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000274865905 550560802 /nfs/dbraw/zinc/56/08/02/550560802.db2.gz WNYCBHSYCSBZNT-OAHLLOKOSA-N 0 2 370.361 2.414 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280818309 551035418 /nfs/dbraw/zinc/03/54/18/551035418.db2.gz SATZLLCDSKJNEY-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295285197 552981590 /nfs/dbraw/zinc/98/15/90/552981590.db2.gz LASGMXJZJCSDLA-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN Cc1cc(NCCNC(=O)c2ccc([O-])c([N+](=O)[O-])c2)nc(C(C)C)[nH+]1 ZINC000600367224 553257238 /nfs/dbraw/zinc/25/72/38/553257238.db2.gz QCIIQBPADOLTNJ-UHFFFAOYSA-N 0 2 359.386 2.364 20 5 FEBDLN COC(=O)CCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000509799798 561814490 /nfs/dbraw/zinc/81/44/90/561814490.db2.gz RBAUNGCYAZVGSC-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000360349355 554872122 /nfs/dbraw/zinc/87/21/22/554872122.db2.gz ZUAFXKMSFJADRE-JTQLQIEISA-N 0 2 356.791 2.327 20 5 FEBDLN Cc1noc([C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2)n1 ZINC000364431441 555312706 /nfs/dbraw/zinc/31/27/06/555312706.db2.gz FJHYKRUCKCHDCU-HNNXBMFYSA-N 0 2 374.378 2.354 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2nncn2C)c1 ZINC000365064655 555477351 /nfs/dbraw/zinc/47/73/51/555477351.db2.gz IVWXOBWGNSAQCK-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CN(C)c1cc(F)c(C(=O)Nc2nc(-c3ccncc3)n[nH]2)cc1[N+](=O)[O-] ZINC000366598955 555887313 /nfs/dbraw/zinc/88/73/13/555887313.db2.gz DDDALTWWYVISHO-UHFFFAOYSA-N 0 2 371.332 2.232 20 5 FEBDLN CN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000368384203 556293575 /nfs/dbraw/zinc/29/35/75/556293575.db2.gz USRYOGZHQXZLGO-GUYCJALGSA-N 0 2 355.350 2.459 20 5 FEBDLN O=C(NCc1ncn(Cc2cccc(F)c2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000515407633 562009439 /nfs/dbraw/zinc/00/94/39/562009439.db2.gz CHNGFIFHZXXFPI-UHFFFAOYSA-N 0 2 371.328 2.009 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccc(-c3cnn(C)c3)n2)ccc1[N+](=O)[O-] ZINC000370035812 556763557 /nfs/dbraw/zinc/76/35/57/556763557.db2.gz IVTAOLDSWLGMSG-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CC(=O)N1Cc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C1 ZINC000370272731 556826756 /nfs/dbraw/zinc/82/67/56/556826756.db2.gz LMEVNJMHPRVFFU-UHFFFAOYSA-N 0 2 361.379 2.258 20 5 FEBDLN Cc1nc(C)n(C[C@@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000371560941 557222348 /nfs/dbraw/zinc/22/23/48/557222348.db2.gz GSVOCDKWIFNEBJ-AWEZNQCLSA-N 0 2 359.386 2.204 20 5 FEBDLN CNC(=O)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000517876851 562099561 /nfs/dbraw/zinc/09/95/61/562099561.db2.gz LDAFJJGUVRTPEZ-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COC(=O)[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000518954501 562121723 /nfs/dbraw/zinc/12/17/23/562121723.db2.gz ZTWNCPRGTLLJLK-CYBMUJFWSA-N 0 2 370.408 2.157 20 5 FEBDLN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000375804119 558081982 /nfs/dbraw/zinc/08/19/82/558081982.db2.gz BQGHBGOOALBNJG-GUYCJALGSA-N 0 2 350.371 2.101 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1OCC(=O)N2 ZINC000378017950 558464275 /nfs/dbraw/zinc/46/42/75/558464275.db2.gz MOIJLHBEZSYUSZ-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(OC)c1 ZINC000392773844 558619206 /nfs/dbraw/zinc/61/92/06/558619206.db2.gz MXUOTJMZGLGTRF-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN CCC(CC)c1cc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])on1 ZINC000525185934 562242263 /nfs/dbraw/zinc/24/22/63/562242263.db2.gz RZCVIHRIEZIGJN-UHFFFAOYSA-N 0 2 354.388 2.360 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414453306 559164566 /nfs/dbraw/zinc/16/45/66/559164566.db2.gz CKIDAUCWSLVOCF-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)nn1CC(F)(F)F ZINC000416958166 559340248 /nfs/dbraw/zinc/34/02/48/559340248.db2.gz TWKSTGHNPGVRJD-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2cccc([N+](=O)[O-])c2)cn1 ZINC000427665151 559760038 /nfs/dbraw/zinc/76/00/38/559760038.db2.gz VUJIMHRPSRIYEP-UHFFFAOYSA-N 0 2 354.370 2.174 20 5 FEBDLN COc1ccccc1-c1nc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n[nH]1 ZINC000431921204 559848603 /nfs/dbraw/zinc/84/86/03/559848603.db2.gz IENHVIVEEULRNS-UHFFFAOYSA-N 0 2 355.310 2.346 20 5 FEBDLN O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436687393 559948827 /nfs/dbraw/zinc/94/88/27/559948827.db2.gz IFMGCCHDAIQDFS-CYBMUJFWSA-N 0 2 370.365 2.337 20 5 FEBDLN O=C(NCCCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1O ZINC000436748332 559950850 /nfs/dbraw/zinc/95/08/50/559950850.db2.gz OUFQJIDYSGLQKR-UHFFFAOYSA-N 0 2 369.175 2.080 20 5 FEBDLN C[C@@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC(=O)N1Cc1ccccc1 ZINC000436784334 559951976 /nfs/dbraw/zinc/95/19/76/559951976.db2.gz WVJNPSQXWAUNJP-MLGOLLRUSA-N 0 2 369.377 2.220 20 5 FEBDLN COCC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc21 ZINC000436824313 559953299 /nfs/dbraw/zinc/95/32/99/559953299.db2.gz AOBHJWXKCIKHKW-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN COC(=O)[C@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436841465 559953910 /nfs/dbraw/zinc/95/39/10/559953910.db2.gz SCKMBQODPOXFFN-GOSISDBHSA-N 0 2 358.350 2.161 20 5 FEBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1ccccc1 ZINC000436874310 559955161 /nfs/dbraw/zinc/95/51/61/559955161.db2.gz SSAMWMOJKJQPFY-ABAIWWIYSA-N 0 2 355.350 2.224 20 5 FEBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ncc(Br)cn1 ZINC000436917561 559956438 /nfs/dbraw/zinc/95/64/38/559956438.db2.gz BNWDFYLRPIJJQD-ZETCQYMHSA-N 0 2 367.159 2.344 20 5 FEBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1NC(C)=O ZINC000436959715 559957506 /nfs/dbraw/zinc/95/75/06/559957506.db2.gz FBMGRVQDWSWWFB-UHFFFAOYSA-N 0 2 359.338 2.197 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1 ZINC000438777215 559983576 /nfs/dbraw/zinc/98/35/76/559983576.db2.gz OZIKBKTXTRVVCL-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(O)c1 ZINC000442835729 560059172 /nfs/dbraw/zinc/05/91/72/560059172.db2.gz DZXDOADALSXXQS-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3ccsc3s2)c([N+](=O)[O-])n1 ZINC000443422673 560083847 /nfs/dbraw/zinc/08/38/47/560083847.db2.gz MVXDZQVGHMBPKE-UHFFFAOYSA-N 0 2 359.414 2.283 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)cc1 ZINC000446943978 560153894 /nfs/dbraw/zinc/15/38/94/560153894.db2.gz MOWQXQLJYVLSGG-UHFFFAOYSA-N 0 2 351.369 2.242 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c1 ZINC000446963379 560154463 /nfs/dbraw/zinc/15/44/63/560154463.db2.gz XNQMTHZLXSXYEN-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000448147195 560178712 /nfs/dbraw/zinc/17/87/12/560178712.db2.gz LFVWXLHJSXILAF-UHFFFAOYSA-N 0 2 368.397 2.616 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452472703 560365764 /nfs/dbraw/zinc/36/57/64/560365764.db2.gz BXSMICNGMSFKDT-KBXCAEBGSA-N 0 2 360.341 2.241 20 5 FEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000456644296 560527113 /nfs/dbraw/zinc/52/71/13/560527113.db2.gz OCTBDQJUBODNGG-RYUDHWBXSA-N 0 2 369.377 2.397 20 5 FEBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000456676602 560528443 /nfs/dbraw/zinc/52/84/43/560528443.db2.gz YNPBQOHYBFRSST-VXGBXAGGSA-N 0 2 369.377 2.397 20 5 FEBDLN CCOc1cccc(CN(CCO)C(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000456964651 560540978 /nfs/dbraw/zinc/54/09/78/560540978.db2.gz LYYFFPPGYSQYPF-UHFFFAOYSA-N 0 2 360.366 2.334 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)c1sc(Br)cc1[N+](=O)[O-] ZINC000457115950 560550174 /nfs/dbraw/zinc/55/01/74/560550174.db2.gz DDJLSCVHGAOALQ-UHFFFAOYSA-N 0 2 372.204 2.599 20 5 FEBDLN COCCOCc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000462464991 560811202 /nfs/dbraw/zinc/81/12/02/560811202.db2.gz KZKWHGGRWRPWAC-UHFFFAOYSA-N 0 2 360.366 2.393 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000467774909 560917076 /nfs/dbraw/zinc/91/70/76/560917076.db2.gz YCSRYMIDTCXDSX-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)ccc1[N+](=O)[O-] ZINC000469064913 560946357 /nfs/dbraw/zinc/94/63/57/560946357.db2.gz WEWJUWOBAIRBQZ-UHFFFAOYSA-N 0 2 366.399 2.492 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000469092787 560947106 /nfs/dbraw/zinc/94/71/06/560947106.db2.gz XHZSOXAMICYIIP-UHFFFAOYSA-N 0 2 362.289 2.346 20 5 FEBDLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000476243481 561114260 /nfs/dbraw/zinc/11/42/60/561114260.db2.gz CRRQSMSMMXVZNL-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COc1cccc(-c2nc(=NC(=O)c3ccc([N+](=O)[O-])cn3)s[nH]2)c1 ZINC000532392709 562476305 /nfs/dbraw/zinc/47/63/05/562476305.db2.gz GQVAAQCKZCXKPY-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN O=C([O-])CCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000540784022 562593035 /nfs/dbraw/zinc/59/30/35/562593035.db2.gz PRLWWMWOGFVEMV-UHFFFAOYSA-N 0 2 372.381 2.498 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000808581974 674464081 /nfs/dbraw/zinc/46/40/81/674464081.db2.gz NSQLLTSIEVCXRW-SNVBAGLBSA-N 0 2 369.277 2.122 20 5 FEBDLN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000739277881 600303801 /nfs/dbraw/zinc/30/38/01/600303801.db2.gz JYEXFKBFGIIPTG-NSHDSACASA-N 0 2 367.789 2.373 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739177708 602777896 /nfs/dbraw/zinc/77/78/96/602777896.db2.gz HOFZYRRPCRHGNI-GXSJLCMTSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739177708 602777897 /nfs/dbraw/zinc/77/78/97/602777897.db2.gz HOFZYRRPCRHGNI-GXSJLCMTSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823722577 603976138 /nfs/dbraw/zinc/97/61/38/603976138.db2.gz GPEPKBPMPGFFJH-KYOSRNDESA-N 0 2 362.386 2.139 20 5 FEBDLN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823722577 603976144 /nfs/dbraw/zinc/97/61/44/603976144.db2.gz GPEPKBPMPGFFJH-KYOSRNDESA-N 0 2 362.386 2.139 20 5 FEBDLN O=C([O-])Nc1ccc(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 ZINC000834260474 605462935 /nfs/dbraw/zinc/46/29/35/605462935.db2.gz QSFLDLRDMHXFSN-UHFFFAOYSA-N 0 2 357.370 2.402 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000833954363 605816350 /nfs/dbraw/zinc/81/63/50/605816350.db2.gz HURMGNGQUCNJIS-UKRRQHHQSA-N 0 2 359.386 2.150 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833955586 605817231 /nfs/dbraw/zinc/81/72/31/605817231.db2.gz SBKGVKUXYMEKRK-GJZGRUSLSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c(N(C)C)n1 ZINC000137210890 672141983 /nfs/dbraw/zinc/14/19/83/672141983.db2.gz PAEJUPYRDCHDSW-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN COCCOc1ccccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000584146344 672159907 /nfs/dbraw/zinc/15/99/07/672159907.db2.gz YXPDOIWEEAGBFS-UHFFFAOYSA-N 0 2 352.368 2.421 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000194622379 672764779 /nfs/dbraw/zinc/76/47/79/672764779.db2.gz JFHCGDXJCUTITK-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cc1 ZINC000196936134 672787629 /nfs/dbraw/zinc/78/76/29/672787629.db2.gz ORKUYLIGNDTFPQ-UHFFFAOYSA-N 0 2 360.351 2.369 20 5 FEBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)CCCC3CCOCC3)c2c1 ZINC000592382816 672795354 /nfs/dbraw/zinc/79/53/54/672795354.db2.gz QTYOBOXQEYRVBJ-UHFFFAOYSA-N 0 2 368.415 2.420 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2ccc3c(n2)OCCO3)cc1[N+](=O)[O-] ZINC000594725896 673123839 /nfs/dbraw/zinc/12/38/39/673123839.db2.gz BHXFPNGKGZTQCD-UHFFFAOYSA-N 0 2 365.367 2.124 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c(C)c1[N+](=O)[O-] ZINC000598733321 673604264 /nfs/dbraw/zinc/60/42/64/673604264.db2.gz APABNOCTGUUQQB-JTQLQIEISA-N 0 2 368.371 2.247 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000600703290 673793164 /nfs/dbraw/zinc/79/31/64/673793164.db2.gz QBJNJOZLOHLDPS-GXSJLCMTSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000600703290 673793166 /nfs/dbraw/zinc/79/31/66/673793166.db2.gz QBJNJOZLOHLDPS-GXSJLCMTSA-N 0 2 355.778 2.229 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1[N+](=O)[O-] ZINC000746053594 673862345 /nfs/dbraw/zinc/86/23/45/673862345.db2.gz FPKQXDWYAMQPFF-UHFFFAOYSA-N 0 2 353.312 2.318 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1Cl ZINC000839757863 680777064 /nfs/dbraw/zinc/77/70/64/680777064.db2.gz FPYNKICZYTWAPG-SECBINFHSA-N 0 2 365.777 2.400 20 5 FEBDLN COc1cc(COC(=O)C(C)(C)NC(=O)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000759112523 680627783 /nfs/dbraw/zinc/62/77/83/680627783.db2.gz WOFLWTHAJHLEPU-UHFFFAOYSA-N 0 2 364.276 2.104 20 5 FEBDLN O=C(Nc1sc2c(c1C(=O)c1ccncc1)CCC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841188663 680868200 /nfs/dbraw/zinc/86/82/00/680868200.db2.gz UJFIKRRZMROFEL-VXGBXAGGSA-N 0 2 357.391 2.467 20 5 FEBDLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768862384 680962022 /nfs/dbraw/zinc/96/20/22/680962022.db2.gz WQBQXNAUDIUQGQ-UHFFFAOYSA-N 0 2 355.397 2.159 20 5 FEBDLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768882532 680963138 /nfs/dbraw/zinc/96/31/38/680963138.db2.gz OXLGPEMGFCXBEZ-UHFFFAOYSA-N 0 2 371.396 2.424 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843875691 681023278 /nfs/dbraw/zinc/02/32/78/681023278.db2.gz RFWFOKXNSMEPCF-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773918787 681160076 /nfs/dbraw/zinc/16/00/76/681160076.db2.gz MPPSNYGOYCBPPW-PLNGDYQASA-N 0 2 351.359 2.111 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)OCc1ccc(Cl)cc1 ZINC000773976921 681162934 /nfs/dbraw/zinc/16/29/34/681162934.db2.gz SMCNNAQWVLJJSZ-UHFFFAOYSA-N 0 2 364.741 2.427 20 5 FEBDLN CS(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000786466797 682377244 /nfs/dbraw/zinc/37/72/44/682377244.db2.gz XMHQGDVMQQJVLW-UHFFFAOYSA-N 0 2 354.315 2.095 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000788304051 682519060 /nfs/dbraw/zinc/51/90/60/682519060.db2.gz YJIJFMINGZJELV-SNVBAGLBSA-N 0 2 351.359 2.040 20 5 FEBDLN CCN(CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000791347353 682736565 /nfs/dbraw/zinc/73/65/65/682736565.db2.gz LMDHMMJHYOIPNC-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)COc1cccc(Cl)c1[N+](=O)[O-] ZINC000865367501 683974153 /nfs/dbraw/zinc/97/41/53/683974153.db2.gz CMYBGAIEPRHXSB-UHFFFAOYSA-N 0 2 354.668 2.265 20 5 FEBDLN NC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000055585569 540661561 /nfs/dbraw/zinc/66/15/61/540661561.db2.gz UIMSYENUYGHICG-UHFFFAOYSA-N 0 2 373.749 2.287 20 5 FEBDLN Cc1cc(=NC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)[nH]nc1C ZINC000540641608 541084399 /nfs/dbraw/zinc/08/43/99/541084399.db2.gz FOILYBNVMBFQAO-UHFFFAOYSA-N 0 2 357.370 2.091 20 5 FEBDLN CCOc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000063305578 541164327 /nfs/dbraw/zinc/16/43/27/541164327.db2.gz SVSCLVXZKOWFPF-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])nc1C ZINC000066250334 541295444 /nfs/dbraw/zinc/29/54/44/541295444.db2.gz HATPESKLRIIGAO-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067174611 541428173 /nfs/dbraw/zinc/42/81/73/541428173.db2.gz LVSKNVUGJLJZHP-UHFFFAOYSA-N 0 2 365.292 2.289 20 5 FEBDLN CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549099 542869680 /nfs/dbraw/zinc/86/96/80/542869680.db2.gz VLNDLCNMWSWYDI-UHFFFAOYSA-N 0 2 357.366 2.330 20 5 FEBDLN COc1cc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)ccc1[N+](=O)[O-] ZINC000103521872 543113812 /nfs/dbraw/zinc/11/38/12/543113812.db2.gz FQYXJTRCSMAPBR-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN Cc1n[nH]cc1NS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] ZINC000123591123 543771487 /nfs/dbraw/zinc/77/14/87/543771487.db2.gz UEWLETRKQBIZFB-UHFFFAOYSA-N 0 2 361.177 2.190 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCOCC2)n[nH]1 ZINC000126885978 543961632 /nfs/dbraw/zinc/96/16/32/543961632.db2.gz XGEZBCKDRSATEL-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000126885978 543961635 /nfs/dbraw/zinc/96/16/35/543961635.db2.gz XGEZBCKDRSATEL-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN CC(C)(C)c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1[N+](=O)[O-] ZINC000803615991 674251582 /nfs/dbraw/zinc/25/15/82/674251582.db2.gz JWIDEIPSGQIZGO-LLVKDONJSA-N 0 2 350.400 2.387 20 5 FEBDLN CCn1nnnc1-c1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000180045328 327668986 /nfs/dbraw/zinc/66/89/86/327668986.db2.gz YVINXVADAIZECC-UHFFFAOYSA-N 0 2 354.326 2.226 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])cc1O ZINC000184862429 327886208 /nfs/dbraw/zinc/88/62/08/327886208.db2.gz HFCVNTHCPASAHU-UHFFFAOYSA-N 0 2 354.322 2.323 20 5 FEBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185959000 327940878 /nfs/dbraw/zinc/94/08/78/327940878.db2.gz JRMMFPIBMLTLSF-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN O=C(NCC1CCN(CC(F)(F)F)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000187008317 327996784 /nfs/dbraw/zinc/99/67/84/327996784.db2.gz IFBHKGYTXJZHIH-UHFFFAOYSA-N 0 2 361.320 2.305 20 5 FEBDLN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264941711 329076614 /nfs/dbraw/zinc/07/66/14/329076614.db2.gz QYGAAKAGSDCHTJ-NSHDSACASA-N 0 2 351.359 2.040 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000266622335 329242730 /nfs/dbraw/zinc/24/27/30/329242730.db2.gz ZYTMKYBXBFHBHH-GFCCVEGCSA-N 0 2 365.386 2.430 20 5 FEBDLN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271646780 329711465 /nfs/dbraw/zinc/71/14/65/329711465.db2.gz ZARPSKOAWKRATH-NSHDSACASA-N 0 2 353.400 2.187 20 5 FEBDLN CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000478540781 561169170 /nfs/dbraw/zinc/16/91/70/561169170.db2.gz SJYJPFUDBYZDQT-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN O=C(CCCNC(=O)c1cc([N+](=O)[O-])ccc1O)N1Cc2ccccc2C1 ZINC000179492567 546964479 /nfs/dbraw/zinc/96/44/79/546964479.db2.gz NGCVQXCKFYXWJH-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180769502 547176114 /nfs/dbraw/zinc/17/61/14/547176114.db2.gz PTNUDCRAEVTWCE-HNNXBMFYSA-N 0 2 368.353 2.018 20 5 FEBDLN CCC(CC)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000183900717 547736367 /nfs/dbraw/zinc/73/63/67/547736367.db2.gz BEHNUSXDEFEPRJ-MRXNPFEDSA-N 0 2 351.403 2.376 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc([N+](=O)[O-])c1 ZINC000186649849 548166565 /nfs/dbraw/zinc/16/65/65/548166565.db2.gz UIGUIVGURSHCJZ-UHFFFAOYSA-N 0 2 359.367 2.283 20 5 FEBDLN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186675687 548171568 /nfs/dbraw/zinc/17/15/68/548171568.db2.gz QHDMCGCYXWCQSM-UHFFFAOYSA-N 0 2 367.365 2.151 20 5 FEBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Cl)c3c(c2)OCCO3)[nH]1 ZINC000486023338 561335547 /nfs/dbraw/zinc/33/55/47/561335547.db2.gz AVPWBBPQBGCENC-UPHRSURJSA-N 0 2 351.702 2.391 20 5 FEBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cncc(Br)c2)c1 ZINC000236585273 548767859 /nfs/dbraw/zinc/76/78/59/548767859.db2.gz CHVLPCQBVGRBRA-UHFFFAOYSA-N 0 2 374.172 2.259 20 5 FEBDLN COC(=O)c1nscc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000491661574 561447212 /nfs/dbraw/zinc/44/72/12/561447212.db2.gz JDSUBQNUTQHXST-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000271286463 550360945 /nfs/dbraw/zinc/36/09/45/550360945.db2.gz PEQCEKSNSFBVTJ-UHFFFAOYSA-N 0 2 365.386 2.383 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000278366477 550777935 /nfs/dbraw/zinc/77/79/35/550777935.db2.gz KCQUIPANPGBNTF-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000280983950 551051856 /nfs/dbraw/zinc/05/18/56/551051856.db2.gz PRHXXMWXBKOBLR-UHFFFAOYSA-N 0 2 353.375 2.334 20 5 FEBDLN Cc1cc(F)c(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000282452502 551231019 /nfs/dbraw/zinc/23/10/19/551231019.db2.gz NVOBUXWXOBJJMU-UHFFFAOYSA-N 0 2 351.256 2.438 20 5 FEBDLN O=C(Nc1nnc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000294041308 552877592 /nfs/dbraw/zinc/87/75/92/552877592.db2.gz GHESCOFRGFVZIV-UHFFFAOYSA-N 0 2 350.356 2.298 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl ZINC000296085688 553102618 /nfs/dbraw/zinc/10/26/18/553102618.db2.gz QGEAEUBZSPEFGR-UHFFFAOYSA-N 0 2 372.834 2.499 20 5 FEBDLN CCC(CC)C(=O)N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000507151969 561719532 /nfs/dbraw/zinc/71/95/32/561719532.db2.gz NAASQVDGBSBXEW-UHFFFAOYSA-N 0 2 363.414 2.457 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000509487329 561801805 /nfs/dbraw/zinc/80/18/05/561801805.db2.gz HPNANDOLFLQLSL-CHWSQXEVSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(N=c1ccc(C2CC2)n[nH]1)c1cn(-c2cccc([N+](=O)[O-])c2)nn1 ZINC000609693859 554413094 /nfs/dbraw/zinc/41/30/94/554413094.db2.gz LGIYVHAQCBUWMO-UHFFFAOYSA-N 0 2 351.326 2.095 20 5 FEBDLN Cc1c(C(=O)N=c2ccc(C3CC3)n[nH]2)nnn1-c1cccc([N+](=O)[O-])c1 ZINC000609693665 554413168 /nfs/dbraw/zinc/41/31/68/554413168.db2.gz IKCCQPYMBUOOKN-UHFFFAOYSA-N 0 2 365.353 2.404 20 5 FEBDLN C[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000511025794 561854104 /nfs/dbraw/zinc/85/41/04/561854104.db2.gz FPZMKDKGDDNAST-ZETCQYMHSA-N 0 2 361.301 2.447 20 5 FEBDLN Cc1n[nH]c(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)n1 ZINC000363385295 555091910 /nfs/dbraw/zinc/09/19/10/555091910.db2.gz XGBVNXKSOWUCLW-UKRRQHHQSA-N 0 2 356.386 2.191 20 5 FEBDLN CC1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000364196792 555267975 /nfs/dbraw/zinc/26/79/75/555267975.db2.gz RMVOMGMWDCTAMK-UHFFFAOYSA-N 0 2 358.354 2.107 20 5 FEBDLN Cc1ccoc1C(=O)NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367559970 556083153 /nfs/dbraw/zinc/08/31/53/556083153.db2.gz RRHWSLCZYNPNDM-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN O=c1nc(CN2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)[nH]c2ccsc21 ZINC000369004041 556473403 /nfs/dbraw/zinc/47/34/03/556473403.db2.gz XMCNOBYNOYFDEG-SNVBAGLBSA-N 0 2 360.399 2.339 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C[C@H]2O ZINC000370492953 556889400 /nfs/dbraw/zinc/88/94/00/556889400.db2.gz SYDZJMUEKREAOC-CQSZACIVSA-N 0 2 374.349 2.007 20 5 FEBDLN COc1cc(N2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000517376639 562087565 /nfs/dbraw/zinc/08/75/65/562087565.db2.gz DRHAVOQHOWEEJO-UHFFFAOYSA-N 0 2 358.354 2.023 20 5 FEBDLN Cc1nnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc2)n1C ZINC000371605820 557237092 /nfs/dbraw/zinc/23/70/92/557237092.db2.gz IWSUTNOOFRRCKB-MRXNPFEDSA-N 0 2 367.365 2.257 20 5 FEBDLN Cn1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1-c1ccccn1 ZINC000372010216 557355876 /nfs/dbraw/zinc/35/58/76/557355876.db2.gz NCYLFVLWGRVBQQ-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@]2(CCCOC2)O1 ZINC000373697248 557740593 /nfs/dbraw/zinc/74/05/93/557740593.db2.gz QHJFHIJABIIZHA-SUMWQHHRSA-N 0 2 350.371 2.101 20 5 FEBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCN(c2ccccc2)C1=O ZINC000374003360 557805748 /nfs/dbraw/zinc/80/57/48/557805748.db2.gz QAWOCZHPSZYSBP-AWEZNQCLSA-N 0 2 355.350 2.178 20 5 FEBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2)C1=O ZINC000374003363 557805751 /nfs/dbraw/zinc/80/57/51/557805751.db2.gz QAWOCZHPSZYSBP-CQSZACIVSA-N 0 2 355.350 2.178 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2-c2nnc[nH]2)c1 ZINC000375580854 558052169 /nfs/dbraw/zinc/05/21/69/558052169.db2.gz FPTQTIBQGHGHRH-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN COc1ccccc1N1CC[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376063315 558121540 /nfs/dbraw/zinc/12/15/40/558121540.db2.gz ZRBDNBRDBSZQRL-LBPRGKRZSA-N 0 2 357.366 2.318 20 5 FEBDLN COc1ccc([N+](=O)[O-])c(CC(=O)N=c2nc(C(C)(C)C)[nH]s2)c1F ZINC000411970761 558997364 /nfs/dbraw/zinc/99/73/64/558997364.db2.gz HBHJJTHRRSGZLB-UHFFFAOYSA-N 0 2 368.390 2.495 20 5 FEBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412322836 559027697 /nfs/dbraw/zinc/02/76/97/559027697.db2.gz GGWGXHXHQSLGAQ-KBPBESRZSA-N 0 2 373.413 2.393 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncc(Br)cn1 ZINC000436710550 559949702 /nfs/dbraw/zinc/94/97/02/559949702.db2.gz VWJSHEHUZUKLPP-SSDOTTSWSA-N 0 2 367.159 2.344 20 5 FEBDLN O=C(Nc1nnc(C2CCOCC2)s1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436720986 559950008 /nfs/dbraw/zinc/95/00/08/559950008.db2.gz KQLSQSWARJGNRA-UHFFFAOYSA-N 0 2 350.356 2.298 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1O ZINC000436816592 559953063 /nfs/dbraw/zinc/95/30/63/559953063.db2.gz SPLLVKHEEDGLRX-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1S(C)(=O)=O ZINC000436901727 559956030 /nfs/dbraw/zinc/95/60/30/559956030.db2.gz RRTMXQAZJQYMCE-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN CN(C)C(=O)Nc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436929543 559956764 /nfs/dbraw/zinc/95/67/64/559956764.db2.gz UVWMQDTVQIUPFL-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)ccc1[N+](=O)[O-] ZINC000444062591 560100423 /nfs/dbraw/zinc/10/04/23/560100423.db2.gz AVWOXKPBRKZMOV-UHFFFAOYSA-N 0 2 366.311 2.047 20 5 FEBDLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cc(Cl)c2O1 ZINC000461109364 560761663 /nfs/dbraw/zinc/76/16/63/560761663.db2.gz BTUFPZMRQBFYQQ-MRVPVSSYSA-N 0 2 369.786 2.189 20 5 FEBDLN Cc1cc(Br)cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000461108699 560761683 /nfs/dbraw/zinc/76/16/83/560761683.db2.gz RHZQFEWCOQWLHR-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2cccnc2n1C ZINC000467017465 560901605 /nfs/dbraw/zinc/90/16/05/560901605.db2.gz TWWFVBHEQPPHJJ-UHFFFAOYSA-N 0 2 361.383 2.240 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000533407171 562507582 /nfs/dbraw/zinc/50/75/82/562507582.db2.gz YMFJZZJDAKSUJP-UHFFFAOYSA-N 0 2 350.278 2.446 20 5 FEBDLN O=C(NCc1ccc(Cn2cccn2)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000536893134 562582039 /nfs/dbraw/zinc/58/20/39/562582039.db2.gz LGYHYIYWVCUARL-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000541074570 562602164 /nfs/dbraw/zinc/60/21/64/562602164.db2.gz QDUAPTFEOFSHBQ-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c1C ZINC000541289786 562608102 /nfs/dbraw/zinc/60/81/02/562608102.db2.gz AFSGAQVSRAXQCE-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737973815 599863224 /nfs/dbraw/zinc/86/32/24/599863224.db2.gz SJCMKBUTIXHMNB-KRWDZBQOSA-N 0 2 373.365 2.266 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000830138082 603554887 /nfs/dbraw/zinc/55/48/87/603554887.db2.gz KJJYQGKMFSDAAK-IUODEOHRSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000830138082 603554892 /nfs/dbraw/zinc/55/48/92/603554892.db2.gz KJJYQGKMFSDAAK-IUODEOHRSA-N 0 2 364.402 2.352 20 5 FEBDLN O=C([O-])c1cncc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000833340886 604904495 /nfs/dbraw/zinc/90/44/95/604904495.db2.gz DUVFMLFEBRHPCW-UHFFFAOYSA-N 0 2 353.294 2.126 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000112689007 670875371 /nfs/dbraw/zinc/87/53/71/670875371.db2.gz JWGOSWNMSLRVQF-UHFFFAOYSA-N 0 2 370.318 2.334 20 5 FEBDLN CC(C)COC[C@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccco1 ZINC000594752305 673129285 /nfs/dbraw/zinc/12/92/85/673129285.db2.gz LQBMGWDVFVBAPN-LBPRGKRZSA-N 0 2 369.399 2.275 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cccc3c2OCO3)ccc1[N+](=O)[O-] ZINC000542945330 673617036 /nfs/dbraw/zinc/61/70/36/673617036.db2.gz PRXWIFGVXZGLIJ-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC000544940819 673740933 /nfs/dbraw/zinc/74/09/33/673740933.db2.gz IKUFOJOAAUGGPQ-UHFFFAOYSA-N 0 2 365.367 2.212 20 5 FEBDLN CC1(c2nc(=NC(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)s[nH]2)CC1 ZINC000600227127 673749935 /nfs/dbraw/zinc/74/99/35/673749935.db2.gz JWSISPREZPFQOI-UHFFFAOYSA-N 0 2 354.338 2.379 20 5 FEBDLN COc1nc(C)c(Br)cc1-c1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1 ZINC000842501851 680951056 /nfs/dbraw/zinc/95/10/56/680951056.db2.gz TXFCELJVCYKLEP-HZGVNTEJSA-N 0 2 355.148 2.344 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)o1 ZINC000754262485 680346283 /nfs/dbraw/zinc/34/62/83/680346283.db2.gz GAGJJZXFHUHLGZ-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN COc1ccc(Sc2nsc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)cc1 ZINC000841138540 680865325 /nfs/dbraw/zinc/86/53/25/680865325.db2.gz YUPHWOVHKTXJSG-NXEZZACHSA-N 0 2 352.397 2.302 20 5 FEBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([N@H+](C)CC(F)F)CC2)n1 ZINC000844211831 681044807 /nfs/dbraw/zinc/04/48/07/681044807.db2.gz IEWDMLMJOAYQFK-UHFFFAOYSA-N 0 2 358.345 2.162 20 5 FEBDLN Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC([N@@H+](C)CC(F)F)CC2)n1 ZINC000844211831 681044809 /nfs/dbraw/zinc/04/48/09/681044809.db2.gz IEWDMLMJOAYQFK-UHFFFAOYSA-N 0 2 358.345 2.162 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000774215233 681173414 /nfs/dbraw/zinc/17/34/14/681173414.db2.gz BGUIUTAONUGOIR-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000028794571 539837711 /nfs/dbraw/zinc/83/77/11/539837711.db2.gz BHTVPVVNFNUCSU-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000029433717 539852543 /nfs/dbraw/zinc/85/25/43/539852543.db2.gz LJULILWLOVENHP-UHFFFAOYSA-N 0 2 373.337 2.078 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000032592264 539944396 /nfs/dbraw/zinc/94/43/96/539944396.db2.gz KKRICCRYKAUVSG-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000067032732 541408329 /nfs/dbraw/zinc/40/83/29/541408329.db2.gz UKZSIQRTHVJHLS-UHFFFAOYSA-N 0 2 358.379 2.473 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(CC2CC2)nc1 ZINC000551037943 674121286 /nfs/dbraw/zinc/12/12/86/674121286.db2.gz WZLKQJOUVFTVMB-UHFFFAOYSA-N 0 2 364.383 2.147 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000092547478 542869974 /nfs/dbraw/zinc/86/99/74/542869974.db2.gz ROFWGTCVCASVNL-UHFFFAOYSA-N 0 2 352.306 2.308 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000092546399 542870041 /nfs/dbraw/zinc/87/00/41/542870041.db2.gz JPYNSPOHYGHWIY-UHFFFAOYSA-N 0 2 359.338 2.384 20 5 FEBDLN O=C(Nc1cccc(-c2nc(=O)o[nH]2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000104389955 543131195 /nfs/dbraw/zinc/13/11/95/543131195.db2.gz CVKFXUHVDVVPRA-UHFFFAOYSA-N 0 2 366.293 2.067 20 5 FEBDLN Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cs1 ZINC000184630534 327876416 /nfs/dbraw/zinc/87/64/16/327876416.db2.gz XSIQKBWNMXWFNX-UHFFFAOYSA-N 0 2 362.411 2.023 20 5 FEBDLN Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185626837 327925549 /nfs/dbraw/zinc/92/55/49/327925549.db2.gz LFIFAYKIZYPHLI-UHFFFAOYSA-N 0 2 351.369 2.104 20 5 FEBDLN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000189786579 328168007 /nfs/dbraw/zinc/16/80/07/328168007.db2.gz FFIJETCJOMNICP-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000119112948 326127906 /nfs/dbraw/zinc/12/79/06/326127906.db2.gz ZBQHUQCVFLWJNE-UHFFFAOYSA-N 0 2 355.397 2.173 20 5 FEBDLN CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237941 327188773 /nfs/dbraw/zinc/18/87/73/327188773.db2.gz DFHYBUMFEPIALA-INIZCTEOSA-N 0 2 352.866 2.460 20 5 FEBDLN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264941710 329076582 /nfs/dbraw/zinc/07/65/82/329076582.db2.gz QYGAAKAGSDCHTJ-LLVKDONJSA-N 0 2 351.359 2.040 20 5 FEBDLN CCOC(=O)c1oc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1C ZINC000271144072 329666371 /nfs/dbraw/zinc/66/63/71/329666371.db2.gz GOOPJOCVCAGRRV-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2nncn2C2CC2)CC1 ZINC000272344718 329772410 /nfs/dbraw/zinc/77/24/10/329772410.db2.gz BGEXHUMSLLKNKN-UHFFFAOYSA-N 0 2 357.370 2.247 20 5 FEBDLN CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272392929 329776997 /nfs/dbraw/zinc/77/69/97/329776997.db2.gz LRSLNKXPARVEKQ-UHFFFAOYSA-N 0 2 358.276 2.331 20 5 FEBDLN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000275007313 330001466 /nfs/dbraw/zinc/00/14/66/330001466.db2.gz DHBCTUVCKPVGKM-NSHDSACASA-N 0 2 352.412 2.475 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367266549 330238025 /nfs/dbraw/zinc/23/80/25/330238025.db2.gz HOTNHDMOSUNLIZ-IBGZPJMESA-N 0 2 356.378 2.467 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367266550 330238193 /nfs/dbraw/zinc/23/81/93/330238193.db2.gz HOTNHDMOSUNLIZ-LJQANCHMSA-N 0 2 356.378 2.467 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000479120568 561181895 /nfs/dbraw/zinc/18/18/95/561181895.db2.gz MMOLWKDSWAUFJI-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000481844723 561243841 /nfs/dbraw/zinc/24/38/41/561243841.db2.gz GQXBBIDRJIIBED-ZDUSSCGKSA-N 0 2 352.372 2.111 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000481844722 561243859 /nfs/dbraw/zinc/24/38/59/561243859.db2.gz GQXBBIDRJIIBED-CYBMUJFWSA-N 0 2 352.372 2.111 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)s1 ZINC000481874763 561244461 /nfs/dbraw/zinc/24/44/61/561244461.db2.gz MRVYPOXGLXYMQC-UHFFFAOYSA-N 0 2 366.380 2.431 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000183385784 547648281 /nfs/dbraw/zinc/64/82/81/547648281.db2.gz LAAPBRKSHVMQGA-UHFFFAOYSA-N 0 2 359.367 2.322 20 5 FEBDLN O=C(Cn1nc(-c2ccccc2)ccc1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183896986 547735658 /nfs/dbraw/zinc/73/56/58/547735658.db2.gz SXOHBABGMSRHMR-UHFFFAOYSA-N 0 2 366.333 2.163 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000186508286 548145584 /nfs/dbraw/zinc/14/55/84/548145584.db2.gz SAZWRANKFXQZAP-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2cncc(F)c2)c(C)c([N+](=O)[O-])c1 ZINC000486013289 561335271 /nfs/dbraw/zinc/33/52/71/561335271.db2.gz ZCGISBZZNFRMPI-UHFFFAOYSA-N 0 2 369.330 2.025 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CC3)o2)c2ncccc12 ZINC000194735052 548523189 /nfs/dbraw/zinc/52/31/89/548523189.db2.gz UBIDXUGETCVJGY-UHFFFAOYSA-N 0 2 361.339 2.204 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1[N+](=O)[O-] ZINC000488287941 561387551 /nfs/dbraw/zinc/38/75/51/561387551.db2.gz CUNUNWDILRQAMD-UHFFFAOYSA-N 0 2 366.330 2.420 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncccc1NC(C)=O ZINC000488414801 561389473 /nfs/dbraw/zinc/38/94/73/561389473.db2.gz RHIDOBMCVJJBJL-UHFFFAOYSA-N 0 2 364.383 2.311 20 5 FEBDLN COc1ccccc1OCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000490379569 561432075 /nfs/dbraw/zinc/43/20/75/561432075.db2.gz UKIVMJDVROKRIE-UHFFFAOYSA-N 0 2 369.337 2.406 20 5 FEBDLN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000269580545 550208237 /nfs/dbraw/zinc/20/82/37/550208237.db2.gz KKRXHFNMMHDAJL-LBPRGKRZSA-N 0 2 352.412 2.475 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000276665674 550583274 /nfs/dbraw/zinc/58/32/74/550583274.db2.gz QJNCVRDWNPLSIM-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1S(C)(=O)=O ZINC000498508985 561526423 /nfs/dbraw/zinc/52/64/23/561526423.db2.gz VFNWYJURDKVEGC-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN CCc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F ZINC000285070845 551700157 /nfs/dbraw/zinc/70/01/57/551700157.db2.gz KACQOSHLDKZBJL-UHFFFAOYSA-N 0 2 362.770 2.484 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NCC(F)(F)F)c(C(F)(F)F)c1 ZINC000288514189 552166778 /nfs/dbraw/zinc/16/67/78/552166778.db2.gz FYCMCYBYZZYXHX-UHFFFAOYSA-N 0 2 352.212 2.454 20 5 FEBDLN CC(C)(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000294936900 552945602 /nfs/dbraw/zinc/94/56/02/552945602.db2.gz ACOPXIXQEOISRX-UHFFFAOYSA-N 0 2 357.266 2.122 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000296150723 553113074 /nfs/dbraw/zinc/11/30/74/553113074.db2.gz TYXRBSWAWQFYRV-UHFFFAOYSA-N 0 2 372.834 2.499 20 5 FEBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)C[C@H]2CCCO2)c1 ZINC000330545034 554136304 /nfs/dbraw/zinc/13/63/04/554136304.db2.gz ZLDDPJXKRHVQNV-LLVKDONJSA-N 0 2 365.205 2.278 20 5 FEBDLN COCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000508130525 561752780 /nfs/dbraw/zinc/75/27/80/561752780.db2.gz YYEDSDABXBDKGQ-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c([N+](=O)[O-])c1 ZINC000509667319 561809731 /nfs/dbraw/zinc/80/97/31/561809731.db2.gz QKCHMNMZMSPBGZ-UHFFFAOYSA-N 0 2 350.356 2.195 20 5 FEBDLN CN(C)C(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000350652213 554804112 /nfs/dbraw/zinc/80/41/12/554804112.db2.gz XCRGSKMROUJOTQ-UHFFFAOYSA-N 0 2 355.310 2.114 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc3nccnc3c2)c([N+](=O)[O-])c1 ZINC000515635979 562017823 /nfs/dbraw/zinc/01/78/23/562017823.db2.gz UUCYDLWPEUWGSY-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN Cc1c(-c2ccncc2)n[nH]c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000371127680 557082735 /nfs/dbraw/zinc/08/27/35/557082735.db2.gz OKBMVALYKZUAQO-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cn1nc(-c2ccccc2)nc1CCNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000371598345 557234445 /nfs/dbraw/zinc/23/44/45/557234445.db2.gz SIHSHZZZROQVTI-UHFFFAOYSA-N 0 2 367.365 2.068 20 5 FEBDLN COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc21 ZINC000371771362 557289316 /nfs/dbraw/zinc/28/93/16/557289316.db2.gz CJVRJNGZNOMQKZ-ZIAGYGMSSA-N 0 2 356.334 2.432 20 5 FEBDLN CN1C(=O)C[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1c1ccccc1 ZINC000373757982 557752892 /nfs/dbraw/zinc/75/28/92/557752892.db2.gz CAQIAWJJSIRNPK-UGSOOPFHSA-N 0 2 369.377 2.250 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000375299999 558005890 /nfs/dbraw/zinc/00/58/90/558005890.db2.gz SEMJDKYMGBYYRB-SFHVURJKSA-N 0 2 353.334 2.036 20 5 FEBDLN Cc1ccc(CN2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 ZINC000376124770 558129944 /nfs/dbraw/zinc/12/99/44/558129944.db2.gz GLWIIVUFKKIRPB-INIZCTEOSA-N 0 2 369.377 2.140 20 5 FEBDLN O=C(NCc1noc(-c2ccccc2F)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376154102 558134196 /nfs/dbraw/zinc/13/41/96/558134196.db2.gz CGVKHZKXZGZKEM-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(C)cc1[N+](=O)[O-] ZINC000414377204 559159699 /nfs/dbraw/zinc/15/96/99/559159699.db2.gz WBERKXHRTZJPKI-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=C(CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000431608574 559842463 /nfs/dbraw/zinc/84/24/63/559842463.db2.gz KOYITJCUGNGRNQ-KRWDZBQOSA-N 0 2 356.382 2.472 20 5 FEBDLN CCn1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(=O)c2ccccc21 ZINC000436702930 559949406 /nfs/dbraw/zinc/94/94/06/559949406.db2.gz KDWCPDUYWOURQU-UHFFFAOYSA-N 0 2 354.322 2.283 20 5 FEBDLN O=C(NC[C@H](CO)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1O ZINC000436733710 559950459 /nfs/dbraw/zinc/95/04/59/559950459.db2.gz IRWUCLAIYKXXGZ-SNVBAGLBSA-N 0 2 350.758 2.460 20 5 FEBDLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1O ZINC000436771491 559951339 /nfs/dbraw/zinc/95/13/39/559951339.db2.gz WBTUHOLPJUHNHM-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN CCOC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436906888 559956052 /nfs/dbraw/zinc/95/60/52/559956052.db2.gz XDBLWLOAIIJUFW-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN COC(=O)C(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436918105 559956566 /nfs/dbraw/zinc/95/65/66/559956566.db2.gz GKPYLUBNMIHYGZ-UHFFFAOYSA-N 0 2 365.367 2.460 20 5 FEBDLN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969188 559957884 /nfs/dbraw/zinc/95/78/84/559957884.db2.gz XQDASRIVDSAGBJ-OAHLLOKOSA-N 0 2 358.350 2.205 20 5 FEBDLN O=C(NCCNc1ccc2ccccc2[nH+]1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436971069 559957975 /nfs/dbraw/zinc/95/79/75/559957975.db2.gz NMTOGEZNGDDSFA-UHFFFAOYSA-N 0 2 352.350 2.691 20 5 FEBDLN CCOC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000440180229 560006230 /nfs/dbraw/zinc/00/62/30/560006230.db2.gz GOMVFWIDVJXPLV-AWEZNQCLSA-N 0 2 358.350 2.377 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccnc(N4CCOCC4)c3)no2)cc1O ZINC000445202507 560130728 /nfs/dbraw/zinc/13/07/28/560130728.db2.gz GSAYCHRRGLAWJK-UHFFFAOYSA-N 0 2 369.337 2.249 20 5 FEBDLN COc1cnccc1[C@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000445702510 560134014 /nfs/dbraw/zinc/13/40/14/560134014.db2.gz OXKXWCPOYRKURV-VIFPVBQESA-N 0 2 355.347 2.177 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1n1cccn1 ZINC000456676386 560528429 /nfs/dbraw/zinc/52/84/29/560528429.db2.gz VFQHQEBWTQXBGC-BMFZPTHFSA-N 0 2 374.397 2.424 20 5 FEBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000456676598 560528514 /nfs/dbraw/zinc/52/85/14/560528514.db2.gz YNPBQOHYBFRSST-NWDGAFQWSA-N 0 2 369.377 2.397 20 5 FEBDLN CC(C)OCCOC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000456804504 560533284 /nfs/dbraw/zinc/53/32/84/560533284.db2.gz KCSVSJHZKNLUAO-UHFFFAOYSA-N 0 2 352.387 2.347 20 5 FEBDLN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000469705318 560962122 /nfs/dbraw/zinc/96/21/22/560962122.db2.gz KJQKTRIFOISUHA-UHFFFAOYSA-N 0 2 364.379 2.406 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)o1 ZINC000533166771 562500180 /nfs/dbraw/zinc/50/01/80/562500180.db2.gz COOKCQAVMWRGFU-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN O=C(NCc1ccncc1OCC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000569485838 568403302 /nfs/dbraw/zinc/40/33/02/568403302.db2.gz PZSMYBSXUMJZMR-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC2 ZINC000739277880 600303633 /nfs/dbraw/zinc/30/36/33/600303633.db2.gz JYEXFKBFGIIPTG-LLVKDONJSA-N 0 2 367.789 2.373 20 5 FEBDLN O=C([O-])Nc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000834260791 605463037 /nfs/dbraw/zinc/46/30/37/605463037.db2.gz YGMOODASCWWSKQ-UHFFFAOYSA-N 0 2 357.370 2.402 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@@H](NC(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000833954239 605816491 /nfs/dbraw/zinc/81/64/91/605816491.db2.gz HMEBFQSXQGICEB-CABCVRRESA-N 0 2 359.386 2.054 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000609023471 675909133 /nfs/dbraw/zinc/90/91/33/675909133.db2.gz VSCNCDWGJAYCCW-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000610058895 675949098 /nfs/dbraw/zinc/94/90/98/675949098.db2.gz YDGNCMRJEMZFJS-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncs2)cc1Br ZINC000160553053 672292173 /nfs/dbraw/zinc/29/21/73/672292173.db2.gz ZTXUWVUAWAFCHE-UHFFFAOYSA-N 0 2 365.190 2.010 20 5 FEBDLN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000586800675 672435384 /nfs/dbraw/zinc/43/53/84/672435384.db2.gz ZUHYICRAAFKLAP-LBPRGKRZSA-N 0 2 350.371 2.496 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cccc3c2OCCO3)ccc1[N+](=O)[O-] ZINC000537652467 673399536 /nfs/dbraw/zinc/39/95/36/673399536.db2.gz QACFFHPPIYXTEN-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000742028806 673704562 /nfs/dbraw/zinc/70/45/62/673704562.db2.gz IBLWPVCFBAFHBW-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000600413422 673765715 /nfs/dbraw/zinc/76/57/15/673765715.db2.gz PQNPHYXKFROJOE-AWEZNQCLSA-N 0 2 350.371 2.400 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600636732 673784252 /nfs/dbraw/zinc/78/42/52/673784252.db2.gz URKIQUSFZRTDQH-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000600703292 673793270 /nfs/dbraw/zinc/79/32/70/673793270.db2.gz QBJNJOZLOHLDPS-MWLCHTKSSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C(=O)[O-] ZINC000600703292 673793272 /nfs/dbraw/zinc/79/32/72/673793272.db2.gz QBJNJOZLOHLDPS-MWLCHTKSSA-N 0 2 355.778 2.229 20 5 FEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCOc2cc(Br)c(Cl)cc21 ZINC000840377372 680819664 /nfs/dbraw/zinc/81/96/64/680819664.db2.gz CEPCPIJGBYAWRH-HZGVNTEJSA-N 0 2 361.579 2.493 20 5 FEBDLN CCCC1=C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1 ZINC000748207076 679941903 /nfs/dbraw/zinc/94/19/03/679941903.db2.gz CTPDTPRSMZYNTG-CQSZACIVSA-N 0 2 365.411 2.437 20 5 FEBDLN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753975379 680327787 /nfs/dbraw/zinc/32/77/87/680327787.db2.gz FEISHVWWQXRSHF-MQSIBISMSA-N 0 2 365.411 2.497 20 5 FEBDLN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773473931 681143666 /nfs/dbraw/zinc/14/36/66/681143666.db2.gz HGBUEDVHNOWGJO-JTQLQIEISA-N 0 2 353.375 2.191 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)N(C)CC2 ZINC000795628376 683074655 /nfs/dbraw/zinc/07/46/55/683074655.db2.gz QFCJAGBIKIGQJK-UHFFFAOYSA-N 0 2 363.395 2.397 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000861551424 683434137 /nfs/dbraw/zinc/43/41/37/683434137.db2.gz BOYBQZRPDVVDTC-MRVPVSSYSA-N 0 2 351.750 2.092 20 5 FEBDLN COc1cc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000866284192 684088383 /nfs/dbraw/zinc/08/83/83/684088383.db2.gz LZBLXPQNXPMKTI-ZDUSSCGKSA-N 0 2 365.283 2.390 20 5 FEBDLN CN(C)C1=NC(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000028757082 539836623 /nfs/dbraw/zinc/83/66/23/539836623.db2.gz RWPQBPBAQHDUMO-SNVBAGLBSA-N 0 2 356.791 2.136 20 5 FEBDLN CN(C)C1=NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000028757082 539836624 /nfs/dbraw/zinc/83/66/24/539836624.db2.gz RWPQBPBAQHDUMO-SNVBAGLBSA-N 0 2 356.791 2.136 20 5 FEBDLN Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000032592664 539944486 /nfs/dbraw/zinc/94/44/86/539944486.db2.gz QUHVBBDDFJRPRF-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)nc1C ZINC000066250227 541295347 /nfs/dbraw/zinc/29/53/47/541295347.db2.gz CTLAVDOBIMZDRZ-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN O=C(OCCC1(O)CC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386678 674125156 /nfs/dbraw/zinc/12/51/56/674125156.db2.gz IWJOUMAYYSQWTC-UHFFFAOYSA-N 0 2 367.745 2.211 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000021028119 211302575 /nfs/dbraw/zinc/30/25/75/211302575.db2.gz PLLPPFHHSWSYOB-UHFFFAOYSA-N 0 2 355.306 2.206 20 5 FEBDLN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000115313504 543559517 /nfs/dbraw/zinc/55/95/17/543559517.db2.gz MSFZCYJDHPGXBP-QFIPXVFZSA-N 0 2 354.409 2.274 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c([N+](=O)[O-])c1 ZINC000117739177 543639176 /nfs/dbraw/zinc/63/91/76/543639176.db2.gz ZNJVKGQFTODRBL-QFIPXVFZSA-N 0 2 354.409 2.441 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc([N+](=O)[O-])c1F ZINC000130018787 544135810 /nfs/dbraw/zinc/13/58/10/544135810.db2.gz ZBKYKHIEWYEHHL-UHFFFAOYSA-N 0 2 364.305 2.305 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130330320 544146957 /nfs/dbraw/zinc/14/69/57/544146957.db2.gz REDKSMWOQYWTLB-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131021738 544174239 /nfs/dbraw/zinc/17/42/39/544174239.db2.gz ZHGWAHNXBCLOLC-ZDUSSCGKSA-N 0 2 373.340 2.365 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000151593589 544560172 /nfs/dbraw/zinc/56/01/72/544560172.db2.gz DZHUFPVIBCBTGS-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(NCc1cnn(Cc2ccccc2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000179431773 327642849 /nfs/dbraw/zinc/64/28/49/327642849.db2.gz VWRROOYWIJLBJS-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN C[C@@](NC(=O)c1ccc([N+](=O)[O-])cc1O)(C(N)=O)c1cccc(Cl)c1 ZINC000184850732 327885523 /nfs/dbraw/zinc/88/55/23/327885523.db2.gz SPLBVGQTKLYFDI-INIZCTEOSA-N 0 2 363.757 2.084 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000184871846 327886590 /nfs/dbraw/zinc/88/65/90/327886590.db2.gz VUGMXHWBHCIBSQ-UHFFFAOYSA-N 0 2 359.357 2.398 20 5 FEBDLN Cc1cc(C)nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)n1 ZINC000185699449 327928515 /nfs/dbraw/zinc/92/85/15/327928515.db2.gz OBBZLGQJKVTQPX-UHFFFAOYSA-N 0 2 359.367 2.351 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000187538838 328032343 /nfs/dbraw/zinc/03/23/43/328032343.db2.gz JYEDODCYHNAHDW-UHFFFAOYSA-N 0 2 365.349 2.215 20 5 FEBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cncn2)cc1 ZINC000194740799 328437885 /nfs/dbraw/zinc/43/78/85/328437885.db2.gz YWVWKMJBDHFVOV-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n(C)n1 ZINC000092877169 325428162 /nfs/dbraw/zinc/42/81/62/325428162.db2.gz WCBOWRPDRSBACH-UHFFFAOYSA-N 0 2 354.388 2.090 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301134 326087687 /nfs/dbraw/zinc/08/76/87/326087687.db2.gz OMSKQEUGEZDWDG-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119299184 326146835 /nfs/dbraw/zinc/14/68/35/326146835.db2.gz URQYTNPEUOHIMS-QGZVFWFLSA-N 0 2 371.393 2.104 20 5 FEBDLN Cc1cc(=O)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1ccccc1 ZINC000124934736 326462584 /nfs/dbraw/zinc/46/25/84/326462584.db2.gz GJSHXOOIRJIQSH-UHFFFAOYSA-N 0 2 366.333 2.407 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000151403069 326681619 /nfs/dbraw/zinc/68/16/19/326681619.db2.gz LLHJDJDMOWGFPB-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN COCc1csc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])n1 ZINC000154100273 326751235 /nfs/dbraw/zinc/75/12/35/326751235.db2.gz QPEMOKYGAPJMHX-UHFFFAOYSA-N 0 2 357.413 2.182 20 5 FEBDLN CCc1nn(C)c(CC)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000167617407 327085623 /nfs/dbraw/zinc/08/56/23/327085623.db2.gz WNBZXRISKJIOEH-UHFFFAOYSA-N 0 2 370.406 2.071 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000172183753 327186004 /nfs/dbraw/zinc/18/60/04/327186004.db2.gz YFNVKPZTVGWTDM-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274733127 329975297 /nfs/dbraw/zinc/97/52/97/329975297.db2.gz HVKBIZHSDJVRPD-UHFFFAOYSA-N 0 2 371.397 2.248 20 5 FEBDLN CCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)nc(C)n1 ZINC000273685772 517843377 /nfs/dbraw/zinc/84/33/77/517843377.db2.gz ARDUQNMOVCWBBH-UHFFFAOYSA-N 0 2 352.372 2.065 20 5 FEBDLN Cn1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1=O ZINC000176435970 546445842 /nfs/dbraw/zinc/44/58/42/546445842.db2.gz IGLISJAPUXOFDG-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)ccc1[N+](=O)[O-] ZINC000177605975 546652078 /nfs/dbraw/zinc/65/20/78/546652078.db2.gz BEBYWIBSAKJCOU-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000481857547 561244201 /nfs/dbraw/zinc/24/42/01/561244201.db2.gz RRDDYZXCDRZQPN-LBPRGKRZSA-N 0 2 352.372 2.279 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)c([N+](=O)[O-])n1 ZINC000481876608 561244464 /nfs/dbraw/zinc/24/44/64/561244464.db2.gz USGMEZLODNCKIV-UHFFFAOYSA-N 0 2 374.382 2.069 20 5 FEBDLN Cn1nc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000481875186 561244468 /nfs/dbraw/zinc/24/44/68/561244468.db2.gz OIIALCMLTYYFOP-UHFFFAOYSA-N 0 2 364.774 2.174 20 5 FEBDLN Cc1cccc(F)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000186931458 548222410 /nfs/dbraw/zinc/22/24/10/548222410.db2.gz UQCAJBASYCZKGB-UHFFFAOYSA-N 0 2 369.374 2.247 20 5 FEBDLN O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000262056343 549784618 /nfs/dbraw/zinc/78/46/18/549784618.db2.gz CLDGYYXMOMOTIN-ZDUSSCGKSA-N 0 2 370.365 2.107 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)ccc1Cl ZINC000278423096 550784165 /nfs/dbraw/zinc/78/41/65/550784165.db2.gz RUTLDMBIZLQQBH-SNVBAGLBSA-N 0 2 374.762 2.284 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000278455912 550788332 /nfs/dbraw/zinc/78/83/32/550788332.db2.gz YUADZIDWEINBIJ-NSHDSACASA-N 0 2 368.371 2.193 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278841965 550827984 /nfs/dbraw/zinc/82/79/84/550827984.db2.gz KYPQMFCAZBTOKR-ZDUSSCGKSA-N 0 2 366.399 2.289 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000292920983 552771199 /nfs/dbraw/zinc/77/11/99/552771199.db2.gz HYYKZXUSEMOLOZ-GWCFXTLKSA-N 0 2 365.386 2.428 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000503416593 561640951 /nfs/dbraw/zinc/64/09/51/561640951.db2.gz CCRJJHWUGLCWMG-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CS(=O)(=O)Nc1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1F ZINC000505966600 561686326 /nfs/dbraw/zinc/68/63/26/561686326.db2.gz SQJXPAXHRBRBRV-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(Cn3cncn3)c2)c([N+](=O)[O-])c1 ZINC000507478180 561730344 /nfs/dbraw/zinc/73/03/44/561730344.db2.gz PVNAFOKFZXBDGD-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN O=C(NCc1ccccc1N1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507545050 561732556 /nfs/dbraw/zinc/73/25/56/561732556.db2.gz DGZRUFHRLSHWER-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)c([N+](=O)[O-])c1 ZINC000509571633 561805633 /nfs/dbraw/zinc/80/56/33/561805633.db2.gz RIFXFIUGBDBGTC-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN CSc1cccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000332385131 554436077 /nfs/dbraw/zinc/43/60/77/554436077.db2.gz ZMDXHQZMCJWSTP-VIFPVBQESA-N 0 2 363.399 2.160 20 5 FEBDLN COCCCOc1cnc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000350427464 554787910 /nfs/dbraw/zinc/78/79/10/554787910.db2.gz ASUJIZPYYQBUBO-UHFFFAOYSA-N 0 2 373.325 2.223 20 5 FEBDLN Cc1nnnn1-c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1C ZINC000363795272 555187753 /nfs/dbraw/zinc/18/77/53/555187753.db2.gz NLRZBTUAOBPTLA-UHFFFAOYSA-N 0 2 354.326 2.145 20 5 FEBDLN COCC(=O)N1CCc2c1cccc2NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000364288486 555285410 /nfs/dbraw/zinc/28/54/10/555285410.db2.gz HKSNXNRMFURLDQ-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN O=C(NCc1ccnc(OC2CCOCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000512491508 561907476 /nfs/dbraw/zinc/90/74/76/561907476.db2.gz HWXYEXWGPAHPOQ-UHFFFAOYSA-N 0 2 373.365 2.183 20 5 FEBDLN Cc1nc(CO[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)C2)cs1 ZINC000365565911 555610256 /nfs/dbraw/zinc/61/02/56/555610256.db2.gz ZLRRLHNGZWDMHR-CYBMUJFWSA-N 0 2 363.395 2.497 20 5 FEBDLN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000368410001 556299973 /nfs/dbraw/zinc/29/99/73/556299973.db2.gz IXTQTPFHLJLDLP-CYBMUJFWSA-N 0 2 361.354 2.337 20 5 FEBDLN O=C(COc1ccc([N+](=O)[O-])cc1)N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000368510779 556331500 /nfs/dbraw/zinc/33/15/00/556331500.db2.gz URKRNTJVSPIFBV-UHFFFAOYSA-N 0 2 364.383 2.052 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)nc1 ZINC000516096119 562030631 /nfs/dbraw/zinc/03/06/31/562030631.db2.gz FCIKOJCRMADDDH-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1nnc([C@@H]2CC23CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC3)o1 ZINC000369443345 556601514 /nfs/dbraw/zinc/60/15/14/556601514.db2.gz OQAQGEJPJUAGBZ-ZDUSSCGKSA-N 0 2 358.354 2.402 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000519119667 562125340 /nfs/dbraw/zinc/12/53/40/562125340.db2.gz FPIXIVGDRQKIDS-UHFFFAOYSA-N 0 2 350.352 2.339 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@]2(CCCOC2)O1 ZINC000373697245 557740476 /nfs/dbraw/zinc/74/04/76/557740476.db2.gz QHJFHIJABIIZHA-DYVFJYSZSA-N 0 2 350.371 2.101 20 5 FEBDLN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C[C@H](C)O2 ZINC000373742903 557749670 /nfs/dbraw/zinc/74/96/70/557749670.db2.gz GDGFHZVQYUUMDH-BWACUDIHSA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375866159 558091136 /nfs/dbraw/zinc/09/11/36/558091136.db2.gz LFGCATULCUTAOV-OLZOCXBDSA-N 0 2 361.398 2.211 20 5 FEBDLN COc1ccccc1N1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376063314 558121431 /nfs/dbraw/zinc/12/14/31/558121431.db2.gz ZRBDNBRDBSZQRL-GFCCVEGCSA-N 0 2 357.366 2.318 20 5 FEBDLN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000377391110 558331638 /nfs/dbraw/zinc/33/16/38/558331638.db2.gz ISIUGLKBWZVYEJ-HNNXBMFYSA-N 0 2 373.340 2.365 20 5 FEBDLN CCc1cc(N2CCC(NC(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)ncn1 ZINC000377822377 558426819 /nfs/dbraw/zinc/42/68/19/558426819.db2.gz BALWBFKHKRGCPS-UHFFFAOYSA-N 0 2 371.397 2.052 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c(C)cc1[N+](=O)[O-] ZINC000414454544 559164846 /nfs/dbraw/zinc/16/48/46/559164846.db2.gz OAIKHWXYOBNPKM-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H](CC(C)C)OC)cc([N+](=O)[O-])c1 ZINC000421148494 559526820 /nfs/dbraw/zinc/52/68/20/559526820.db2.gz GPKOCWUHSMECCA-CQSZACIVSA-N 0 2 374.415 2.184 20 5 FEBDLN NC(=O)c1cc(-c2csc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)n2)c[nH]1 ZINC000436636038 559947376 /nfs/dbraw/zinc/94/73/76/559947376.db2.gz WTJUYFUMECLVDO-UHFFFAOYSA-N 0 2 373.350 2.103 20 5 FEBDLN CN(C)C(=O)Nc1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436668760 559948389 /nfs/dbraw/zinc/94/83/89/559948389.db2.gz FLSZGAOVSNLXMX-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436867915 559954959 /nfs/dbraw/zinc/95/49/59/559954959.db2.gz FYJKRCBQCMCNNE-HNNXBMFYSA-N 0 2 356.334 2.041 20 5 FEBDLN CCOC(=O)[C@H](CCOC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894310 559955464 /nfs/dbraw/zinc/95/54/64/559955464.db2.gz QMVIGSLEUGWNDK-ZDUSSCGKSA-N 0 2 368.386 2.167 20 5 FEBDLN CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1nnc2ccccn21 ZINC000436960668 559957565 /nfs/dbraw/zinc/95/75/65/559957565.db2.gz HSKCGBPPFZYQOG-OAHLLOKOSA-N 0 2 355.354 2.470 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1cccc(C)c1 ZINC000436968759 559957969 /nfs/dbraw/zinc/95/79/69/559957969.db2.gz VHBGDZRPEOGMTH-AWEZNQCLSA-N 0 2 372.377 2.371 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c([N+](=O)[O-])n1 ZINC000443408626 560083309 /nfs/dbraw/zinc/08/33/09/560083309.db2.gz ICKNUCNEORPNBM-UHFFFAOYSA-N 0 2 359.433 2.366 20 5 FEBDLN O=C(NCc1ncn(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000444539968 560115358 /nfs/dbraw/zinc/11/53/58/560115358.db2.gz FYSHJOKOSLIBJL-UHFFFAOYSA-N 0 2 371.328 2.009 20 5 FEBDLN O=C(Cc1cc[nH]c(=O)c1Br)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000446425060 560145770 /nfs/dbraw/zinc/14/57/70/560145770.db2.gz IREUYUKLJQGSOL-UHFFFAOYSA-N 0 2 368.143 2.345 20 5 FEBDLN COc1cc(CN2CCCC[C@H]2c2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1F ZINC000450987669 560281301 /nfs/dbraw/zinc/28/13/01/560281301.db2.gz XFNLZSDZNWIVCQ-NSHDSACASA-N 0 2 351.338 2.293 20 5 FEBDLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1 ZINC000461119328 560762029 /nfs/dbraw/zinc/76/20/29/560762029.db2.gz WHCYNVZPIAVPEY-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)nc2C)c([N+](=O)[O-])c1 ZINC000530800046 562424279 /nfs/dbraw/zinc/42/42/79/562424279.db2.gz JQQUKAQUWCHZEH-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000532647792 562484471 /nfs/dbraw/zinc/48/44/71/562484471.db2.gz OGUXRKNVOFPVSO-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537020690 562584187 /nfs/dbraw/zinc/58/41/87/562584187.db2.gz JZEHWVXESZXEGJ-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218085 600139043 /nfs/dbraw/zinc/13/90/43/600139043.db2.gz KBAZTKTXHJXYGJ-VHSXEESVSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000736218085 600139046 /nfs/dbraw/zinc/13/90/46/600139046.db2.gz KBAZTKTXHJXYGJ-VHSXEESVSA-N 0 2 355.778 2.372 20 5 FEBDLN Cc1cc(C[NH+]2CCN(c3cc(C)c([N+](=O)[O-])c(C(=O)[O-])c3)CC2)on1 ZINC000580957159 601544151 /nfs/dbraw/zinc/54/41/51/601544151.db2.gz MORPGZQBPGMKOW-UHFFFAOYSA-N 0 2 360.370 2.220 20 5 FEBDLN Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047860 601973115 /nfs/dbraw/zinc/97/31/15/601973115.db2.gz WVTLLJLNILBOIC-OLZOCXBDSA-N 0 2 364.402 2.304 20 5 FEBDLN Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047860 601973117 /nfs/dbraw/zinc/97/31/17/601973117.db2.gz WVTLLJLNILBOIC-OLZOCXBDSA-N 0 2 364.402 2.304 20 5 FEBDLN CN(C(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833684444 605246763 /nfs/dbraw/zinc/24/67/63/605246763.db2.gz CCNRXRXITOPFGW-UHFFFAOYSA-N 0 2 371.393 2.187 20 5 FEBDLN CN(C(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833684444 605246765 /nfs/dbraw/zinc/24/67/65/605246765.db2.gz CCNRXRXITOPFGW-UHFFFAOYSA-N 0 2 371.393 2.187 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]CCN(C(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000833956251 605817425 /nfs/dbraw/zinc/81/74/25/605817425.db2.gz YNYFJFHAWOOJHX-HNNXBMFYSA-N 0 2 359.386 2.150 20 5 FEBDLN O=C(Nc1cccn(CC(F)(F)F)c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000571545031 670890162 /nfs/dbraw/zinc/89/01/62/670890162.db2.gz NEEUVPXYGXGWLH-UHFFFAOYSA-N 0 2 357.244 2.277 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)cs1 ZINC000120056112 671915635 /nfs/dbraw/zinc/91/56/35/671915635.db2.gz FICMQTKXCIUDQR-UHFFFAOYSA-N 0 2 351.369 2.242 20 5 FEBDLN CC(C)n1cnc(NC(=O)c2sc(Br)cc2[N+](=O)[O-])n1 ZINC000593233237 672896838 /nfs/dbraw/zinc/89/68/38/672896838.db2.gz UDGCLONDCYQUAD-UHFFFAOYSA-N 0 2 360.193 2.844 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000731032918 673298637 /nfs/dbraw/zinc/29/86/37/673298637.db2.gz LNAUDRZLKWPHQU-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000734848470 673474637 /nfs/dbraw/zinc/47/46/37/673474637.db2.gz OSGQZSRHSMUARH-CYBMUJFWSA-N 0 2 366.374 2.188 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(CO)ccc1C ZINC000619467326 676378228 /nfs/dbraw/zinc/37/82/28/676378228.db2.gz ADFJINIQZOLKHX-UHFFFAOYSA-N 0 2 352.368 2.205 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NN=c1nc[nH]c2ccsc21 ZINC000765134164 680832078 /nfs/dbraw/zinc/83/20/78/680832078.db2.gz BEKZIDCEBGAQQC-UHFFFAOYSA-N 0 2 369.359 2.044 20 5 FEBDLN Cc1ncc(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)cn1 ZINC000760363795 680684366 /nfs/dbraw/zinc/68/43/66/680684366.db2.gz UHRXWHCXSBDZOB-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(C[C@H]1CCCO1)c1ccc(Br)cn1 ZINC000841347958 680874228 /nfs/dbraw/zinc/87/42/28/680874228.db2.gz XQLYOFFPVODONK-IJLUTSLNSA-N 0 2 370.203 2.021 20 5 FEBDLN CC(C)(C(=O)NCCc1n[nH]c(=S)o1)c1ccc([N+](=O)[O-])cc1F ZINC000841422209 680879919 /nfs/dbraw/zinc/87/99/19/680879919.db2.gz BFKHZJCIUKCNPO-UHFFFAOYSA-N 0 2 354.363 2.042 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)cs1 ZINC000768858451 680961930 /nfs/dbraw/zinc/96/19/30/680961930.db2.gz OFXMTIZSUJGMRN-UHFFFAOYSA-N 0 2 365.396 2.097 20 5 FEBDLN C[N@H+](CC(F)F)C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844211514 681044784 /nfs/dbraw/zinc/04/47/84/681044784.db2.gz BZFQEMJPIDRFOB-UHFFFAOYSA-N 0 2 357.357 2.388 20 5 FEBDLN C[N@@H+](CC(F)F)C1CCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000844211514 681044786 /nfs/dbraw/zinc/04/47/86/681044786.db2.gz BZFQEMJPIDRFOB-UHFFFAOYSA-N 0 2 357.357 2.388 20 5 FEBDLN COC(=O)c1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000788553133 682538660 /nfs/dbraw/zinc/53/86/60/682538660.db2.gz WSVZYAKRJNYYOB-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])oc1C ZINC000789753943 682629145 /nfs/dbraw/zinc/62/91/45/682629145.db2.gz ZWALTUYTJMUQGK-UHFFFAOYSA-N 0 2 373.318 2.008 20 5 FEBDLN Cc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)n1 ZINC000790638486 682690371 /nfs/dbraw/zinc/69/03/71/682690371.db2.gz ODTHIRZPTMJBBA-UHFFFAOYSA-N 0 2 367.343 2.019 20 5 FEBDLN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000791372128 682738733 /nfs/dbraw/zinc/73/87/33/682738733.db2.gz ATOQFYPDATWGSD-UHFFFAOYSA-N 0 2 353.375 2.334 20 5 FEBDLN C[C@@H](CN(C)C(=O)c1ccc([N+](=O)[O-])cc1O)NC(=O)OC(C)(C)C ZINC000863688173 683762423 /nfs/dbraw/zinc/76/24/23/683762423.db2.gz ZZNXIGHGIVPFQU-JTQLQIEISA-N 0 2 353.375 2.286 20 5 FEBDLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000006316165 539424683 /nfs/dbraw/zinc/42/46/83/539424683.db2.gz AUNQSBCIRRIIAN-UHFFFAOYSA-N 0 2 366.351 2.278 20 5 FEBDLN COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc(OC)c1 ZINC000007708398 539464899 /nfs/dbraw/zinc/46/48/99/539464899.db2.gz KEXFUHWIAUGQIO-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN CNc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1[N+](=O)[O-] ZINC000014371215 539602692 /nfs/dbraw/zinc/60/26/92/539602692.db2.gz SNMUFSIQAGCPSD-UHFFFAOYSA-N 0 2 373.394 2.207 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000014371713 539602786 /nfs/dbraw/zinc/60/27/86/539602786.db2.gz DSGTYNZXMRKUJI-UHFFFAOYSA-N 0 2 350.381 2.227 20 5 FEBDLN O=C1CSc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2N1 ZINC000028810113 539837859 /nfs/dbraw/zinc/83/78/59/539837859.db2.gz GEPJYHWPZXMIHW-UHFFFAOYSA-N 0 2 365.392 2.440 20 5 FEBDLN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000055597194 540662527 /nfs/dbraw/zinc/66/25/27/540662527.db2.gz MGOULLOVDNVCKP-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055580849 540660731 /nfs/dbraw/zinc/66/07/31/540660731.db2.gz MFCMYFFWCBQLSJ-UHFFFAOYSA-N 0 2 364.383 2.455 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1OC ZINC000055636121 540666716 /nfs/dbraw/zinc/66/67/16/540666716.db2.gz GALHNBKDXFIINU-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN CCCc1[nH]nc(C(=O)N=c2ncn(Cc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000538692769 540881360 /nfs/dbraw/zinc/88/13/60/540881360.db2.gz UTVSLJYLONZGBS-UHFFFAOYSA-N 0 2 355.358 2.163 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000066247258 541294478 /nfs/dbraw/zinc/29/44/78/541294478.db2.gz WCZZPHIVFATERL-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)nc1C ZINC000066250270 541295422 /nfs/dbraw/zinc/29/54/22/541295422.db2.gz YUAMXOYLWREWRY-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN CC(C)n1c(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)n[nH]c1=S ZINC000067119097 541420276 /nfs/dbraw/zinc/42/02/76/541420276.db2.gz LUXOYQIKMFCTSJ-UHFFFAOYSA-N 0 2 351.388 2.108 20 5 FEBDLN COc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000102791815 543080868 /nfs/dbraw/zinc/08/08/68/543080868.db2.gz HAMAMIONQTVWOF-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN Cc1cccc2[nH]c(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])nc21 ZINC000129987437 544134132 /nfs/dbraw/zinc/13/41/32/544134132.db2.gz ACDCWDMZKIJOJM-UHFFFAOYSA-N 0 2 364.358 2.397 20 5 FEBDLN Cc1cccc2nc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH]c21 ZINC000129987437 544134136 /nfs/dbraw/zinc/13/41/36/544134136.db2.gz ACDCWDMZKIJOJM-UHFFFAOYSA-N 0 2 364.358 2.397 20 5 FEBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1[N+](=O)[O-] ZINC000133975965 544290148 /nfs/dbraw/zinc/29/01/48/544290148.db2.gz VOXAPXWXOFMFDV-UHFFFAOYSA-N 0 2 371.806 2.213 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000134400313 544306498 /nfs/dbraw/zinc/30/64/98/544306498.db2.gz QSTPNHXEGMWYRJ-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000135610676 544355797 /nfs/dbraw/zinc/35/57/97/544355797.db2.gz YWPFFJQWAWMJSA-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000144158647 544426665 /nfs/dbraw/zinc/42/66/65/544426665.db2.gz XRKJUGBPMDHRFH-MRXNPFEDSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1O ZINC000181852880 327749364 /nfs/dbraw/zinc/74/93/64/327749364.db2.gz JINBYUFGIANAPF-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN O=C(NCc1cccnc1OCC(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000182171159 327763853 /nfs/dbraw/zinc/76/38/53/327763853.db2.gz NXQDNDQPZHJMPA-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN CCC(CC)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCOCC1 ZINC000092546079 325418925 /nfs/dbraw/zinc/41/89/25/325418925.db2.gz INHACUWIKZVBAW-INIZCTEOSA-N 0 2 351.403 2.376 20 5 FEBDLN Cn1ncc2c1[nH]cc(C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)c2=O ZINC000119279315 326144511 /nfs/dbraw/zinc/14/45/11/326144511.db2.gz BGWRBQSRIRHFOX-UHFFFAOYSA-N 0 2 369.381 2.335 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000120882011 326295664 /nfs/dbraw/zinc/29/56/64/326295664.db2.gz WXESIYMOVLJUKD-CYBMUJFWSA-N 0 2 355.350 2.288 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1C ZINC000163667603 327056454 /nfs/dbraw/zinc/05/64/54/327056454.db2.gz KEOAKJZVYQIUEE-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000165139540 327076814 /nfs/dbraw/zinc/07/68/14/327076814.db2.gz QOTVJTUCBKKDBQ-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)ccc1[N+](=O)[O-] ZINC000172183523 327186112 /nfs/dbraw/zinc/18/61/12/327186112.db2.gz IRKAKWODLIBONZ-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000174262771 327316212 /nfs/dbraw/zinc/31/62/12/327316212.db2.gz NWMBEGYOWPIMIV-JOCHJYFZSA-N 0 2 354.409 2.441 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])s1 ZINC000267626199 329344477 /nfs/dbraw/zinc/34/44/77/329344477.db2.gz GUFAAVNRTLLLDQ-UHFFFAOYSA-N 0 2 358.401 2.208 20 5 FEBDLN COc1cc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000170747466 546174518 /nfs/dbraw/zinc/17/45/18/546174518.db2.gz PQSGZRMIFSFILO-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000171476677 546210724 /nfs/dbraw/zinc/21/07/24/546210724.db2.gz CMUZRVXNTGCTCE-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@H](COc2ccccc2)C1 ZINC000481551371 561235945 /nfs/dbraw/zinc/23/59/45/561235945.db2.gz GTIFHFNAWOZNNP-HNNXBMFYSA-N 0 2 358.350 2.220 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000481857050 561244098 /nfs/dbraw/zinc/24/40/98/561244098.db2.gz QHHKVSQVAKMDTA-GFCCVEGCSA-N 0 2 352.372 2.279 20 5 FEBDLN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181817036 547385967 /nfs/dbraw/zinc/38/59/67/547385967.db2.gz RXDUPJZUHGKDRO-UHFFFAOYSA-N 0 2 368.349 2.199 20 5 FEBDLN Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)sc1C ZINC000184890912 547894427 /nfs/dbraw/zinc/89/44/27/547894427.db2.gz XDIMDLUKWITLBU-UHFFFAOYSA-N 0 2 362.411 2.336 20 5 FEBDLN COc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc1[N+](=O)[O-] ZINC000195077946 548573596 /nfs/dbraw/zinc/57/35/96/548573596.db2.gz KESJMLPZXSVCCA-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN O=C([O-])CC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000262770448 549847917 /nfs/dbraw/zinc/84/79/17/549847917.db2.gz AIPZLIAFJNOOCY-UHFFFAOYSA-N 0 2 358.354 2.298 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000493259693 561455192 /nfs/dbraw/zinc/45/51/92/561455192.db2.gz RFBYRIYZYBEZGY-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN CC[C@@H](C)c1nnc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919523 550611115 /nfs/dbraw/zinc/61/11/15/550611115.db2.gz LAQYCUJXIFYFTH-BDAKNGLRSA-N 0 2 371.394 2.405 20 5 FEBDLN CC[C@@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000276919523 550611116 /nfs/dbraw/zinc/61/11/16/550611116.db2.gz LAQYCUJXIFYFTH-BDAKNGLRSA-N 0 2 371.394 2.405 20 5 FEBDLN Cc1n[nH]c(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C ZINC000277201895 550642839 /nfs/dbraw/zinc/64/28/39/550642839.db2.gz FOGDZBSBIXAPNS-UHFFFAOYSA-N 0 2 369.359 2.261 20 5 FEBDLN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cc([N+](=O)[O-])n[nH]1 ZINC000496067130 561492034 /nfs/dbraw/zinc/49/20/34/561492034.db2.gz CBJMMALIBZBJBT-UHFFFAOYSA-N 0 2 367.247 2.374 20 5 FEBDLN CO[C@@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(O)cc1 ZINC000496057634 561492062 /nfs/dbraw/zinc/49/20/62/561492062.db2.gz ZJDVZWSJIGIXEL-CQSZACIVSA-N 0 2 369.337 2.412 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cccc(N2CCCNC2=O)c1 ZINC000497788034 561508808 /nfs/dbraw/zinc/50/88/08/561508808.db2.gz JPBSFBHCDRBPOK-UHFFFAOYSA-N 0 2 356.338 2.472 20 5 FEBDLN COCCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000285056197 551698084 /nfs/dbraw/zinc/69/80/84/551698084.db2.gz KESHSYWXYVUPNC-UHFFFAOYSA-N 0 2 351.384 2.288 20 5 FEBDLN O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)N=c1ccc(C2CC2)n[nH]1 ZINC000609693561 554413067 /nfs/dbraw/zinc/41/30/67/554413067.db2.gz AYKDKWRYXFLRDH-UHFFFAOYSA-N 0 2 355.354 2.021 20 5 FEBDLN O=c1nc2[nH]cc(-c3nc(-c4ccc([N+](=O)[O-])s4)no3)cc-2c(=O)[nH]1 ZINC000350833697 554816818 /nfs/dbraw/zinc/81/68/18/554816818.db2.gz JSNOPEWGVUWUMQ-UHFFFAOYSA-N 0 2 358.295 2.123 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000364382001 555302966 /nfs/dbraw/zinc/30/29/66/555302966.db2.gz HYHXFZBETICAPG-ZDUSSCGKSA-N 0 2 361.398 2.165 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000367591155 556091867 /nfs/dbraw/zinc/09/18/67/556091867.db2.gz XZZCFJCIPIALIC-HNNXBMFYSA-N 0 2 373.409 2.165 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@H](COc2ccccc2)C1 ZINC000517952549 562101419 /nfs/dbraw/zinc/10/14/19/562101419.db2.gz SWFGSKLQINSHEG-HNNXBMFYSA-N 0 2 358.350 2.220 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCCO)cc1 ZINC000521105165 562169589 /nfs/dbraw/zinc/16/95/89/562169589.db2.gz FKIBTMHMOKSVIK-UHFFFAOYSA-N 0 2 352.368 2.075 20 5 FEBDLN Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000375448999 558029275 /nfs/dbraw/zinc/02/92/75/558029275.db2.gz NWDRBTJNGZVQFK-UHFFFAOYSA-N 0 2 364.337 2.278 20 5 FEBDLN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376001190 558112139 /nfs/dbraw/zinc/11/21/39/558112139.db2.gz WPECHBMOGVHUOI-ZDUSSCGKSA-N 0 2 361.354 2.337 20 5 FEBDLN CC(C)(C)c1csc(CNS(=O)(=O)c2cccnc2[N+](=O)[O-])n1 ZINC000525174849 562242052 /nfs/dbraw/zinc/24/20/52/562242052.db2.gz LZIQVDYUQDXSBW-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN O=c1[nH]nc(C2CCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)CC2)[nH]1 ZINC000413264035 559093377 /nfs/dbraw/zinc/09/33/77/559093377.db2.gz IXRNEOPFIZAHRY-UHFFFAOYSA-N 0 2 358.280 2.216 20 5 FEBDLN COC(C)(C)CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000414378169 559159795 /nfs/dbraw/zinc/15/97/95/559159795.db2.gz YLGGPTQOWDOPOQ-UHFFFAOYSA-N 0 2 354.388 2.152 20 5 FEBDLN COC(C)(C)CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000414378169 559159796 /nfs/dbraw/zinc/15/97/96/559159796.db2.gz YLGGPTQOWDOPOQ-UHFFFAOYSA-N 0 2 354.388 2.152 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000422041517 559562338 /nfs/dbraw/zinc/56/23/38/559562338.db2.gz GDGCQMBLDXNFEA-HNNXBMFYSA-N 0 2 361.398 2.211 20 5 FEBDLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424262802 559659778 /nfs/dbraw/zinc/65/97/78/559659778.db2.gz GRWBUTVWEAKCOU-LKFCYVNXSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424262802 559659779 /nfs/dbraw/zinc/65/97/79/559659779.db2.gz GRWBUTVWEAKCOU-LKFCYVNXSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1 ZINC000436663954 559948169 /nfs/dbraw/zinc/94/81/69/559948169.db2.gz JQJWWMFVCFINES-NHYWBVRUSA-N 0 2 355.350 2.224 20 5 FEBDLN NC(=O)N1CCCc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000436818763 559953086 /nfs/dbraw/zinc/95/30/86/559953086.db2.gz BQRIIQHVTBZYOJ-UHFFFAOYSA-N 0 2 356.338 2.384 20 5 FEBDLN COCCN(Cc1scnc1C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436821866 559953283 /nfs/dbraw/zinc/95/32/83/559953283.db2.gz MPVJKYVLSNCBLX-UHFFFAOYSA-N 0 2 351.384 2.354 20 5 FEBDLN CC(=O)Nc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436872843 559955086 /nfs/dbraw/zinc/95/50/86/559955086.db2.gz XOGHLABFEPKMOE-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1NS(C)(=O)=O ZINC000436873042 559955120 /nfs/dbraw/zinc/95/51/20/559955120.db2.gz YQXUGMJZQROWBU-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc1C1CC1 ZINC000436917824 559956392 /nfs/dbraw/zinc/95/63/92/559956392.db2.gz FRWPUTCGTGKMLJ-UHFFFAOYSA-N 0 2 371.349 2.289 20 5 FEBDLN O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436953382 559957202 /nfs/dbraw/zinc/95/72/02/559957202.db2.gz OWLORSULICFLSS-AWEZNQCLSA-N 0 2 373.390 2.454 20 5 FEBDLN O=C(NCCN=c1[nH]c2ccccc2s1)c1ccc([N+](=O)[O-])cc1O ZINC000436965635 559957656 /nfs/dbraw/zinc/95/76/56/559957656.db2.gz LDSSINTYGRLUIR-UHFFFAOYSA-N 0 2 358.379 2.752 20 5 FEBDLN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000436966011 559957721 /nfs/dbraw/zinc/95/77/21/559957721.db2.gz UANKSDBPVJSAGV-GOEBONIOSA-N 0 2 360.370 2.167 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cn1C ZINC000439567311 559996977 /nfs/dbraw/zinc/99/69/77/559996977.db2.gz GQUQRUYQYRLUAX-UHFFFAOYSA-N 0 2 373.774 2.174 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000442602462 560053312 /nfs/dbraw/zinc/05/33/12/560053312.db2.gz IEVWERXPCLHDRJ-UHFFFAOYSA-N 0 2 356.429 2.275 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000456018199 560504613 /nfs/dbraw/zinc/50/46/13/560504613.db2.gz QUFCXONPEKNIOC-UHFFFAOYSA-N 0 2 356.386 2.719 20 5 FEBDLN CC(C)OCCOC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000456810250 560533503 /nfs/dbraw/zinc/53/35/03/560533503.db2.gz SKFLKDQLPZJQOB-UHFFFAOYSA-N 0 2 352.387 2.347 20 5 FEBDLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000463461067 560815865 /nfs/dbraw/zinc/81/58/65/560815865.db2.gz HKJKNOQCTNFDGJ-UHFFFAOYSA-N 0 2 364.383 2.448 20 5 FEBDLN CC(C)(C)n1cnc(=NC(=O)NCc2ccc([N+](=O)[O-])cc2Cl)[nH]1 ZINC000466883005 560898439 /nfs/dbraw/zinc/89/84/39/560898439.db2.gz YZQIKRLFWZQTIH-UHFFFAOYSA-N 0 2 352.782 2.916 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000468513718 560931987 /nfs/dbraw/zinc/93/19/87/560931987.db2.gz DOWFNRKDZKHAMS-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)c(C)c1 ZINC000469132266 560948054 /nfs/dbraw/zinc/94/80/54/560948054.db2.gz WSCPCNHZJZDNAD-HNNXBMFYSA-N 0 2 362.313 2.392 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)ccc1[N+](=O)[O-] ZINC000472434280 561026436 /nfs/dbraw/zinc/02/64/36/561026436.db2.gz VIVDZZKOYJEMAE-UHFFFAOYSA-N 0 2 354.388 2.326 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)cnc1OC ZINC000476435262 561119331 /nfs/dbraw/zinc/11/93/31/561119331.db2.gz XFPSFDICQJVMTF-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000542000546 562625343 /nfs/dbraw/zinc/62/53/43/562625343.db2.gz PJLSTUVPRKZTKF-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)c1 ZINC000569103377 568275998 /nfs/dbraw/zinc/27/59/98/568275998.db2.gz FGFLXNIYNFUULV-UHFFFAOYSA-N 0 2 370.412 2.141 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000739585123 601970212 /nfs/dbraw/zinc/97/02/12/601970212.db2.gz BQLKBNNVUFXGBP-ZDUSSCGKSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000739585123 601970213 /nfs/dbraw/zinc/97/02/13/601970213.db2.gz BQLKBNNVUFXGBP-ZDUSSCGKSA-N 0 2 361.358 2.219 20 5 FEBDLN O=C([O-])NC[C@@H]1CCC[C@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832489622 603504994 /nfs/dbraw/zinc/50/49/94/603504994.db2.gz GXUKCGDSXKUTCS-SWLSCSKDSA-N 0 2 374.353 2.374 20 5 FEBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823724204 603986433 /nfs/dbraw/zinc/98/64/33/603986433.db2.gz OIQWIUJXWFRRFD-XQQFMLRXSA-N 0 2 362.386 2.139 20 5 FEBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823724204 603986437 /nfs/dbraw/zinc/98/64/37/603986437.db2.gz OIQWIUJXWFRRFD-XQQFMLRXSA-N 0 2 362.386 2.139 20 5 FEBDLN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000834096254 605944388 /nfs/dbraw/zinc/94/43/88/605944388.db2.gz UWLXIFABCKFDFK-KGLIPLIRSA-N 0 2 372.385 2.028 20 5 FEBDLN O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000834096254 605944392 /nfs/dbraw/zinc/94/43/92/605944392.db2.gz UWLXIFABCKFDFK-KGLIPLIRSA-N 0 2 372.385 2.028 20 5 FEBDLN CCc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000821492890 607153970 /nfs/dbraw/zinc/15/39/70/607153970.db2.gz YIPLZIWLFFKUSC-UHFFFAOYSA-N 0 2 374.382 2.138 20 5 FEBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120188793 671919271 /nfs/dbraw/zinc/91/92/71/671919271.db2.gz BRATYEMZLWTPJO-UHFFFAOYSA-N 0 2 355.397 2.207 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cs1 ZINC000120191850 671919298 /nfs/dbraw/zinc/91/92/98/671919298.db2.gz RJHUJMAHQZXUGG-UHFFFAOYSA-N 0 2 351.369 2.038 20 5 FEBDLN O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592778407 672837307 /nfs/dbraw/zinc/83/73/07/672837307.db2.gz CFXGJZXQJIRKLK-LLVKDONJSA-N 0 2 362.773 2.358 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000597491620 673482193 /nfs/dbraw/zinc/48/21/93/673482193.db2.gz PCMCWBGQGFFYQY-VHSXEESVSA-N 0 2 364.276 2.223 20 5 FEBDLN Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000566976893 675257704 /nfs/dbraw/zinc/25/77/04/675257704.db2.gz QBKLPHDCOOSYMU-VIFPVBQESA-N 0 2 350.762 2.317 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1 ZINC000757926480 680543179 /nfs/dbraw/zinc/54/31/79/680543179.db2.gz SBHYZHXPPLYWCP-UHFFFAOYSA-N 0 2 371.346 2.266 20 5 FEBDLN COc1ccc(OC)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000007708576 539465063 /nfs/dbraw/zinc/46/50/63/539465063.db2.gz HXWXULVKMWYSJN-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000027048796 539799880 /nfs/dbraw/zinc/79/98/80/539799880.db2.gz BWQGOTNXQORMRO-UHFFFAOYSA-N 0 2 358.379 2.094 20 5 FEBDLN COC(=O)c1sccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000032143887 539929990 /nfs/dbraw/zinc/92/99/90/539929990.db2.gz OUFJUZALVFZQSY-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2F)[nH]1 ZINC000033477474 539974753 /nfs/dbraw/zinc/97/47/53/539974753.db2.gz NBIJLQDSIURNNW-RJRFIUFISA-N 0 2 356.107 2.456 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000042219082 540055465 /nfs/dbraw/zinc/05/54/65/540055465.db2.gz CSKXUXWYVUMRRO-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000055585208 540661780 /nfs/dbraw/zinc/66/17/80/540661780.db2.gz OISGNNJKOSZFKJ-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055584731 540661842 /nfs/dbraw/zinc/66/18/42/540661842.db2.gz HCRMVSAWDJOFQA-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000055685578 540670827 /nfs/dbraw/zinc/67/08/27/540670827.db2.gz DLBGRNAFZSKXHN-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1 ZINC000066247140 541294530 /nfs/dbraw/zinc/29/45/30/541294530.db2.gz MEGWYWSETYEGGI-UHFFFAOYSA-N 0 2 357.369 2.029 20 5 FEBDLN O=C1NCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cc21 ZINC000069647095 541702194 /nfs/dbraw/zinc/70/21/94/541702194.db2.gz JOHHEZFDLIYOPW-UHFFFAOYSA-N 0 2 367.770 2.292 20 5 FEBDLN Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)c(C)o1 ZINC000133260066 544262240 /nfs/dbraw/zinc/26/22/40/544262240.db2.gz KEALSZALMALQAZ-UHFFFAOYSA-N 0 2 373.365 2.108 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000136140446 544367289 /nfs/dbraw/zinc/36/72/89/544367289.db2.gz QJOXRTDDYHKHCZ-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000152927129 544712741 /nfs/dbraw/zinc/71/27/41/544712741.db2.gz XPHDOKCQKLOCCG-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000179236299 327632251 /nfs/dbraw/zinc/63/22/51/327632251.db2.gz JMCCMBOCPCMWSV-CQSZACIVSA-N 0 2 369.377 2.079 20 5 FEBDLN CCCc1cc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n(C)n1 ZINC000092876966 325428232 /nfs/dbraw/zinc/42/82/32/325428232.db2.gz VHNIWOTUKZOUQS-UHFFFAOYSA-N 0 2 354.388 2.090 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1C(N)=O ZINC000103425735 325516898 /nfs/dbraw/zinc/51/68/98/325516898.db2.gz DKCJEMGYCZYFPU-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000120882163 326296190 /nfs/dbraw/zinc/29/61/90/326296190.db2.gz WXESIYMOVLJUKD-ZDUSSCGKSA-N 0 2 355.350 2.288 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)c1ccccc1 ZINC000157471288 326866495 /nfs/dbraw/zinc/86/64/95/326866495.db2.gz HHBKAXNOTKSQJG-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000367139398 330221410 /nfs/dbraw/zinc/22/14/10/330221410.db2.gz XESVZRBROOSXHT-AWEZNQCLSA-N 0 2 350.352 2.212 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncs2)c(C(F)(F)F)c1 ZINC000160581886 546053282 /nfs/dbraw/zinc/05/32/82/546053282.db2.gz YHGJJCSYKKSDLT-UHFFFAOYSA-N 0 2 354.291 2.266 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n(-c2ccccn2)n1 ZINC000171147713 546192952 /nfs/dbraw/zinc/19/29/52/546192952.db2.gz VSDLRURUEXKIJG-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccc(-c3nn[nH]n3)c2)c1C ZINC000486888110 561358986 /nfs/dbraw/zinc/35/89/86/561358986.db2.gz QVSJIGHKMFSQOM-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)cc1[N+](=O)[O-] ZINC000272400089 550444287 /nfs/dbraw/zinc/44/42/87/550444287.db2.gz JBKGEQPJWLKRFJ-UHFFFAOYSA-N 0 2 362.314 2.373 20 5 FEBDLN COc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1OC ZINC000494441400 561469855 /nfs/dbraw/zinc/46/98/55/561469855.db2.gz XVHKHMHUUXWNFF-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN Cc1ccc(NC(=O)C[C@H]2SC(N(C)C3CC3)=NC2=O)c([N+](=O)[O-])c1 ZINC000273318839 550494443 /nfs/dbraw/zinc/49/44/43/550494443.db2.gz FMZSIDSDFBVUBT-CYBMUJFWSA-N 0 2 362.411 2.324 20 5 FEBDLN Cc1ccc(NC(=O)CC2SC(N(C)C3CC3)=NC2=O)c([N+](=O)[O-])c1 ZINC000273318839 550494444 /nfs/dbraw/zinc/49/44/44/550494444.db2.gz FMZSIDSDFBVUBT-CYBMUJFWSA-N 0 2 362.411 2.324 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)oc1C ZINC000274876241 550561769 /nfs/dbraw/zinc/56/17/69/550561769.db2.gz GSUUBEUHJLPGJC-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000280766842 551030088 /nfs/dbraw/zinc/03/00/88/551030088.db2.gz BLAIBJXGBSCISW-GFCCVEGCSA-N 0 2 365.386 2.334 20 5 FEBDLN O=c1[nH]nc([C@@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)o1 ZINC000285463307 551760188 /nfs/dbraw/zinc/76/01/88/551760188.db2.gz BNTXZVGGIKXEKR-MRVPVSSYSA-N 0 2 356.285 2.257 20 5 FEBDLN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000288622407 552186643 /nfs/dbraw/zinc/18/66/43/552186643.db2.gz MNUUOPZUAYUNDD-LBPRGKRZSA-N 0 2 352.334 2.398 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(O)c1 ZINC000326147175 553779390 /nfs/dbraw/zinc/77/93/90/553779390.db2.gz VOAUUEGLFAMNGA-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000327697276 553790692 /nfs/dbraw/zinc/79/06/92/553790692.db2.gz VOTJNJOIRWPZAO-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])N1CCCc2ccccc21 ZINC000508703010 561770067 /nfs/dbraw/zinc/77/00/67/561770067.db2.gz HEDIABZSXNNCTI-UHFFFAOYSA-N 0 2 355.350 2.010 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)c([N+](=O)[O-])c1 ZINC000509569538 561805416 /nfs/dbraw/zinc/80/54/16/561805416.db2.gz NNVYLKHGYDRSMW-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN O=C(N=c1cccn[nH]1)c1ccc([N+](=O)[O-])cc1I ZINC000609861311 554430588 /nfs/dbraw/zinc/43/05/88/554430588.db2.gz WHWRTAZXZDYUDQ-UHFFFAOYSA-N 0 2 370.106 2.242 20 5 FEBDLN CN(Cc1nccn1CC(F)(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511469941 561870265 /nfs/dbraw/zinc/87/02/65/561870265.db2.gz BEMVQGCLBRAAQG-UHFFFAOYSA-N 0 2 358.276 2.331 20 5 FEBDLN CN1Cc2cc(-c3csc(NC(=O)[C@H]4C[C@H]4[N+](=O)[O-])n3)ccc2NC1=O ZINC000365421934 555570879 /nfs/dbraw/zinc/57/08/79/555570879.db2.gz UIZMXWDBLFQZIO-GXFFZTMASA-N 0 2 373.394 2.391 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000367591156 556091660 /nfs/dbraw/zinc/09/16/60/556091660.db2.gz XZZCFJCIPIALIC-OAHLLOKOSA-N 0 2 373.409 2.165 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)cc1 ZINC000368654439 556375375 /nfs/dbraw/zinc/37/53/75/556375375.db2.gz YLOHVJSFHYHIDU-CQSZACIVSA-N 0 2 350.352 2.212 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000370466937 556881031 /nfs/dbraw/zinc/88/10/31/556881031.db2.gz CEBGQEFMHUDWTH-UHFFFAOYSA-N 0 2 360.374 2.447 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C[C@@H]2O ZINC000370492949 556889489 /nfs/dbraw/zinc/88/94/89/556889489.db2.gz SYDZJMUEKREAOC-AWEZNQCLSA-N 0 2 374.349 2.007 20 5 FEBDLN Cc1nc(C)n(C[C@H]2CCCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000371560943 557222766 /nfs/dbraw/zinc/22/27/66/557222766.db2.gz GSVOCDKWIFNEBJ-CQSZACIVSA-N 0 2 359.386 2.204 20 5 FEBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000372313312 557437075 /nfs/dbraw/zinc/43/70/75/557437075.db2.gz KXUYRTRALWWJFT-UHFFFAOYSA-N 0 2 373.394 2.364 20 5 FEBDLN O=C1CCOc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)cc21 ZINC000373908683 557784665 /nfs/dbraw/zinc/78/46/65/557784665.db2.gz UVDBVWCOMUGFQZ-UHFFFAOYSA-N 0 2 354.365 2.422 20 5 FEBDLN COc1ccc(C2=NO[C@@H](CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000374865979 557943180 /nfs/dbraw/zinc/94/31/80/557943180.db2.gz XXJNWXNFQHLQGQ-CQSZACIVSA-N 0 2 371.349 2.232 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000375804118 558081964 /nfs/dbraw/zinc/08/19/64/558081964.db2.gz BQGHBGOOALBNJG-DYVFJYSZSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000375840730 558087775 /nfs/dbraw/zinc/08/77/75/558087775.db2.gz QDTJCATZZUYOOR-HNNXBMFYSA-N 0 2 364.398 2.491 20 5 FEBDLN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376133653 558131308 /nfs/dbraw/zinc/13/13/08/558131308.db2.gz UQVZBLFWEJIWCT-AWEZNQCLSA-N 0 2 369.377 2.079 20 5 FEBDLN CC(C)(C)c1nc(=NC(=O)NCCOc2ccc([N+](=O)[O-])cc2)s[nH]1 ZINC000522619484 562200541 /nfs/dbraw/zinc/20/05/41/562200541.db2.gz PALDQGHRKNDUCC-UHFFFAOYSA-N 0 2 365.415 2.366 20 5 FEBDLN Cc1csc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000378544438 558579379 /nfs/dbraw/zinc/57/93/79/558579379.db2.gz ZHSYWELJAFZFAG-UHFFFAOYSA-N 0 2 362.411 2.418 20 5 FEBDLN COCc1csc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000523772840 562219586 /nfs/dbraw/zinc/21/95/86/562219586.db2.gz YXPZFHDMEMGTDW-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000435146339 559917235 /nfs/dbraw/zinc/91/72/35/559917235.db2.gz YHDCIDAOJDDWKB-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000436478164 559942552 /nfs/dbraw/zinc/94/25/52/559942552.db2.gz NXJQCRRPAAUWNL-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN CN(C)C(=O)COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436637057 559947272 /nfs/dbraw/zinc/94/72/72/559947272.db2.gz UVVKSGLONCJLKS-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635819 559947323 /nfs/dbraw/zinc/94/73/23/559947323.db2.gz RTEXUBOSWBOJAZ-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1N1CCNC1=O ZINC000436818820 559953123 /nfs/dbraw/zinc/95/31/23/559953123.db2.gz BVHGUUMROLMYFA-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN CCc1nc(NC(=O)c2ccc([N+](=O)[O-])cc2O)sc1C(=O)OC ZINC000436883855 559955312 /nfs/dbraw/zinc/95/53/12/559955312.db2.gz IUZPDJLLINZCBZ-UHFFFAOYSA-N 0 2 351.340 2.358 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436892426 559955616 /nfs/dbraw/zinc/95/56/16/559955616.db2.gz LRWLMHHTMIBZMN-AWEZNQCLSA-N 0 2 373.340 2.365 20 5 FEBDLN NC(=O)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)cc1 ZINC000436954665 559957524 /nfs/dbraw/zinc/95/75/24/559957524.db2.gz IFQHZJRDEUQDJM-UHFFFAOYSA-N 0 2 355.350 2.204 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 ZINC000444060358 560100439 /nfs/dbraw/zinc/10/04/39/560100439.db2.gz YIUQCJVTHTXZIB-UHFFFAOYSA-N 0 2 366.311 2.047 20 5 FEBDLN Cn1cc(-c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000444293838 560108554 /nfs/dbraw/zinc/10/85/54/560108554.db2.gz XJCDYSJVNJQTEV-UHFFFAOYSA-N 0 2 374.788 2.344 20 5 FEBDLN Cc1nn(C)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451095336 560286784 /nfs/dbraw/zinc/28/67/84/560286784.db2.gz KQFCWAXEAHPDCW-UHFFFAOYSA-N 0 2 353.404 2.258 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456019691 560504708 /nfs/dbraw/zinc/50/47/08/560504708.db2.gz SJQIBBAANLTFQK-AWEZNQCLSA-N 0 2 370.413 2.934 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000456628581 560526348 /nfs/dbraw/zinc/52/63/48/560526348.db2.gz DHUDMQYZSRHTLL-FVQBIDKESA-N 0 2 374.397 2.424 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H]1c1ccccc1 ZINC000456968135 560541176 /nfs/dbraw/zinc/54/11/76/560541176.db2.gz WWCHYZZMOHNQPT-CVEARBPZSA-N 0 2 370.361 2.329 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000468524288 560932210 /nfs/dbraw/zinc/93/22/10/560932210.db2.gz VTWOXCLAXDDJAP-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)c(C)c1 ZINC000469132452 560947954 /nfs/dbraw/zinc/94/79/54/560947954.db2.gz WSCPCNHZJZDNAD-OAHLLOKOSA-N 0 2 362.313 2.392 20 5 FEBDLN COC(=O)c1nscc1S(=O)(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000473764084 561057351 /nfs/dbraw/zinc/05/73/51/561057351.db2.gz KNLRPEUCXNDYQQ-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c([N+](=O)[O-])c1 ZINC000535136250 562551701 /nfs/dbraw/zinc/55/17/01/562551701.db2.gz BJLBKAQUDRTDCQ-UHFFFAOYSA-N 0 2 366.327 2.193 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C)ccc1O ZINC000541307640 562608454 /nfs/dbraw/zinc/60/84/54/562608454.db2.gz OLVWDCCRNVRVOZ-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2c3c(nn2C)CCC3)c1 ZINC000541785127 567822736 /nfs/dbraw/zinc/82/27/36/567822736.db2.gz GUGHOKOUAZZTCJ-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN O=C([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000570098084 568450800 /nfs/dbraw/zinc/45/08/00/568450800.db2.gz NSRIWIAPBVDSJI-INIZCTEOSA-N 0 2 372.381 2.173 20 5 FEBDLN O=C([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)c([N+](=O)[O-])c1 ZINC000570098086 568450808 /nfs/dbraw/zinc/45/08/08/568450808.db2.gz NSRIWIAPBVDSJI-MRXNPFEDSA-N 0 2 372.381 2.173 20 5 FEBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1cn2c([nH+]1)CCCC2 ZINC000740095697 599994372 /nfs/dbraw/zinc/99/43/72/599994372.db2.gz MAWQDXRDUPILGL-UHFFFAOYSA-N 0 2 361.314 2.346 20 5 FEBDLN CN(C(=O)[O-])C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000737938376 602532650 /nfs/dbraw/zinc/53/26/50/602532650.db2.gz XLMCBPHKIVIANW-UHFFFAOYSA-N 0 2 361.358 2.219 20 5 FEBDLN CC1(C)C[N@H+](CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000828074290 604263003 /nfs/dbraw/zinc/26/30/03/604263003.db2.gz FBBVVPQNCNJCTL-UHFFFAOYSA-N 0 2 357.794 2.469 20 5 FEBDLN CC1(C)C[N@@H+](CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CCO1 ZINC000828074290 604263004 /nfs/dbraw/zinc/26/30/04/604263004.db2.gz FBBVVPQNCNJCTL-UHFFFAOYSA-N 0 2 357.794 2.469 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@@H](NC(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000833954241 605816401 /nfs/dbraw/zinc/81/64/01/605816401.db2.gz HMEBFQSXQGICEB-HUUCEWRRSA-N 0 2 359.386 2.054 20 5 FEBDLN Cc1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000826271391 609587225 /nfs/dbraw/zinc/58/72/25/609587225.db2.gz PGYCNZDVNOYGQE-SECBINFHSA-N 0 2 355.362 2.389 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c([N+](=O)[O-])c1 ZINC000578688324 671682573 /nfs/dbraw/zinc/68/25/73/671682573.db2.gz RCDWWSHPKNAJJC-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000579473372 671738628 /nfs/dbraw/zinc/73/86/28/671738628.db2.gz RZSQYOGKUTXIBK-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000580373262 671801572 /nfs/dbraw/zinc/80/15/72/671801572.db2.gz MSDLIZXLVFYBFW-UHFFFAOYSA-N 0 2 365.367 2.140 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(-n3nccn3)cc2)cc1[N+](=O)[O-] ZINC000119019897 671891069 /nfs/dbraw/zinc/89/10/69/671891069.db2.gz XOLVLHXJTUWBBI-UHFFFAOYSA-N 0 2 365.396 2.346 20 5 FEBDLN O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000588785192 672481320 /nfs/dbraw/zinc/48/13/20/672481320.db2.gz AMGBDEXMLICFLX-NSHDSACASA-N 0 2 350.758 2.460 20 5 FEBDLN O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000592778408 672837469 /nfs/dbraw/zinc/83/74/69/672837469.db2.gz CFXGJZXQJIRKLK-NSHDSACASA-N 0 2 362.773 2.358 20 5 FEBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1S(C)(=O)=O ZINC000536198811 673363815 /nfs/dbraw/zinc/36/38/15/673363815.db2.gz SCJBFXRKPMRXLB-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cccc(N(C)C)n2)c1 ZINC000544673199 673725502 /nfs/dbraw/zinc/72/55/02/673725502.db2.gz KLDYHHLKAFDOQS-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000619507207 676382507 /nfs/dbraw/zinc/38/25/07/676382507.db2.gz PBOBAUYLILXUBH-UHFFFAOYSA-N 0 2 358.401 2.208 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)ncn2C ZINC000619507274 676382813 /nfs/dbraw/zinc/38/28/13/676382813.db2.gz YBPHTNJZHXGBRA-UHFFFAOYSA-N 0 2 362.367 2.291 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000830827911 677063581 /nfs/dbraw/zinc/06/35/81/677063581.db2.gz OSUCHNMCMCUQKT-CYBMUJFWSA-N 0 2 363.267 2.017 20 5 FEBDLN COCCCCN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])c1ccc(Br)cn1 ZINC000841219435 680869496 /nfs/dbraw/zinc/86/94/96/680869496.db2.gz WYSDMEHXEPBACP-VXGBXAGGSA-N 0 2 372.219 2.269 20 5 FEBDLN CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000753703355 680310354 /nfs/dbraw/zinc/31/03/54/680310354.db2.gz ULYKPYGKYBEHPT-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000753820761 680317693 /nfs/dbraw/zinc/31/76/93/680317693.db2.gz UIBRZZPRBBUGAX-JTQLQIEISA-N 0 2 351.359 2.040 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1F ZINC000754954511 680389934 /nfs/dbraw/zinc/38/99/34/680389934.db2.gz RJCNMYXYUKGXIL-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN O=C(NCC1CCN(Cc2cc(O)ccc2Cl)CC1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001001401095 680460388 /nfs/dbraw/zinc/46/03/88/680460388.db2.gz YPPUWNXDVSYFMR-GDBMZVCRSA-N 0 2 367.833 2.039 20 5 FEBDLN Cc1cc(Cl)c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000844140578 681041252 /nfs/dbraw/zinc/04/12/52/681041252.db2.gz QOIXDQJIEGCWAP-UHFFFAOYSA-N 0 2 365.777 2.400 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000777650749 681517994 /nfs/dbraw/zinc/51/79/94/681517994.db2.gz LSIZSOYECSUZFO-UHFFFAOYSA-N 0 2 370.362 2.154 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000794866847 683000644 /nfs/dbraw/zinc/00/06/44/683000644.db2.gz WVNISBNFNYGPIZ-UHFFFAOYSA-N 0 2 371.302 2.452 20 5 FEBDLN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000798255225 683328354 /nfs/dbraw/zinc/32/83/54/683328354.db2.gz XSMBHDTUYUCIQI-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN COC[C@@](C)(NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000872002853 684911101 /nfs/dbraw/zinc/91/11/01/684911101.db2.gz CLRYAVMLRJCAQT-SECBINFHSA-N 0 2 362.351 2.210 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007708265 539463676 /nfs/dbraw/zinc/46/36/76/539463676.db2.gz PGBNVLCBPDYXGZ-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000025086736 539748305 /nfs/dbraw/zinc/74/83/05/539748305.db2.gz VVYQYQGXIJZJIQ-SNVBAGLBSA-N 0 2 350.352 2.396 20 5 FEBDLN NC(=O)c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)c[nH]1 ZINC000030983848 539895724 /nfs/dbraw/zinc/89/57/24/539895724.db2.gz ZQELPMUHYSAPER-UHFFFAOYSA-N 0 2 373.350 2.103 20 5 FEBDLN CC(C)c1[nH]nc(C(=O)N=c2ncn(Cc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000532460530 540163954 /nfs/dbraw/zinc/16/39/54/540163954.db2.gz RPCZDLWJFRLLKY-UHFFFAOYSA-N 0 2 355.358 2.333 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000065319851 541234639 /nfs/dbraw/zinc/23/46/39/541234639.db2.gz JUHXYPAKXRIWGR-GXTWGEPZSA-N 0 2 363.414 2.457 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000110095472 543348965 /nfs/dbraw/zinc/34/89/65/543348965.db2.gz QEOSGHIMHDBMLO-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)c([N+](=O)[O-])c1 ZINC000117739703 543638928 /nfs/dbraw/zinc/63/89/28/543638928.db2.gz NRKXQONVNDDICH-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000179391854 327640426 /nfs/dbraw/zinc/64/04/26/327640426.db2.gz CGKZVBHDIIOVDN-UHFFFAOYSA-N 0 2 371.393 2.137 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181943979 327753996 /nfs/dbraw/zinc/75/39/96/327753996.db2.gz GTGFEADXFOBTMZ-QWHCGFSZSA-N 0 2 363.414 2.457 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1N(C)C ZINC000187731459 328042409 /nfs/dbraw/zinc/04/24/09/328042409.db2.gz NYOAWCUBHKXICJ-UHFFFAOYSA-N 0 2 350.400 2.419 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c1[N+](=O)[O-] ZINC000189250373 328137063 /nfs/dbraw/zinc/13/70/63/328137063.db2.gz JZYLHJWUHLIJNF-UHFFFAOYSA-N 0 2 363.395 2.040 20 5 FEBDLN CC(=O)N1CCc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 ZINC000012068276 324371594 /nfs/dbraw/zinc/37/15/94/324371594.db2.gz KSKANXMURCHNGN-UHFFFAOYSA-N 0 2 361.379 2.305 20 5 FEBDLN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137835903 326661843 /nfs/dbraw/zinc/66/18/43/326661843.db2.gz GZKQZUODJANJBJ-LLVKDONJSA-N 0 2 362.773 2.358 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000171343207 327133571 /nfs/dbraw/zinc/13/35/71/327133571.db2.gz NDKZGBRHOJSWIO-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000175349061 327388672 /nfs/dbraw/zinc/38/86/72/327388672.db2.gz WXNRXALZOQLDEK-NSHDSACASA-N 0 2 358.347 2.301 20 5 FEBDLN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000157663141 545766254 /nfs/dbraw/zinc/76/62/54/545766254.db2.gz XQMYZOWWCDLUDQ-QWHCGFSZSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc(O)c([N+](=O)[O-])c1 ZINC000160223583 546018947 /nfs/dbraw/zinc/01/89/47/546018947.db2.gz MICIDUBTDLYXRW-UHFFFAOYSA-N 0 2 374.378 2.470 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1C(N)=O ZINC000171344611 546204518 /nfs/dbraw/zinc/20/45/18/546204518.db2.gz MPTKYFNFOJHUMK-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)cc1[N+](=O)[O-] ZINC000479257472 561185912 /nfs/dbraw/zinc/18/59/12/561185912.db2.gz HMIWYFRYYGAJNT-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1nnc([C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc2)[nH]1 ZINC000179476129 546961864 /nfs/dbraw/zinc/96/18/64/546961864.db2.gz OLZHOLZEPTWBDR-HNNXBMFYSA-N 0 2 353.338 2.246 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3nncn3c2)c(Cl)c1 ZINC000180792108 547180881 /nfs/dbraw/zinc/18/08/81/547180881.db2.gz GSCWNZWETHQSCX-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000483434335 561277117 /nfs/dbraw/zinc/27/71/17/561277117.db2.gz CWOMPPSORKJGDR-ZDUSSCGKSA-N 0 2 359.313 2.431 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000184672434 547863503 /nfs/dbraw/zinc/86/35/03/547863503.db2.gz XONDNQFCINWUHU-OAHLLOKOSA-N 0 2 355.350 2.004 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1noc(C(C)(C)C)n1 ZINC000272507916 550453908 /nfs/dbraw/zinc/45/39/08/550453908.db2.gz VMSPETYXYJHUEW-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273256312 550491939 /nfs/dbraw/zinc/49/19/39/550491939.db2.gz SHNAFBORBMTAOQ-LLVKDONJSA-N 0 2 365.386 2.430 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)c([N+](=O)[O-])c1 ZINC000278351591 550776128 /nfs/dbraw/zinc/77/61/28/550776128.db2.gz IQQXWAYXWYYNSO-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c1C ZINC000278425974 550784593 /nfs/dbraw/zinc/78/45/93/550784593.db2.gz SKCGIFGNYAHEQA-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c1C ZINC000278425969 550784708 /nfs/dbraw/zinc/78/47/08/550784708.db2.gz SKCGIFGNYAHEQA-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000278881640 550832210 /nfs/dbraw/zinc/83/22/10/550832210.db2.gz OQMKMNJIZPKSNE-CYBMUJFWSA-N 0 2 366.399 2.289 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C1CC1 ZINC000280766844 551030207 /nfs/dbraw/zinc/03/02/07/551030207.db2.gz BLAIBJXGBSCISW-LBPRGKRZSA-N 0 2 365.386 2.334 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1[N+](=O)[O-] ZINC000280994809 551053074 /nfs/dbraw/zinc/05/30/74/551053074.db2.gz NDLYOMKUIUHBFM-UHFFFAOYSA-N 0 2 354.388 2.261 20 5 FEBDLN Cn1ccc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n1 ZINC000497972405 561512940 /nfs/dbraw/zinc/51/29/40/561512940.db2.gz SKHYUFLTAYFVHL-UHFFFAOYSA-N 0 2 365.198 2.114 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)c([N+](=O)[O-])c1 ZINC000500569567 561577155 /nfs/dbraw/zinc/57/71/55/561577155.db2.gz YPPNBTKJSYOMER-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505207061 561668027 /nfs/dbraw/zinc/66/80/27/561668027.db2.gz JZHXQEGYIWALEL-UHFFFAOYSA-N 0 2 360.351 2.283 20 5 FEBDLN COC(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc1C1CC1 ZINC000507738292 561739353 /nfs/dbraw/zinc/73/93/53/561739353.db2.gz TWEOAUAVOLOEFH-UHFFFAOYSA-N 0 2 371.349 2.289 20 5 FEBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(OC)nc1 ZINC000507984262 561748048 /nfs/dbraw/zinc/74/80/48/561748048.db2.gz LCANSUDMWNPFMA-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(S(C)(=O)=O)c2)c([N+](=O)[O-])c1 ZINC000509561206 561805276 /nfs/dbraw/zinc/80/52/76/561805276.db2.gz XTYTUSMZIZHNPU-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN O=C(NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)c1ccccc1 ZINC000364763387 555396081 /nfs/dbraw/zinc/39/60/81/555396081.db2.gz DWLZRJPTUNERND-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000512701521 561912853 /nfs/dbraw/zinc/91/28/53/561912853.db2.gz PVIXIIDSHNDEKV-UHFFFAOYSA-N 0 2 355.310 2.018 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(c2cncc(F)c2)CC1 ZINC000366638915 555897115 /nfs/dbraw/zinc/89/71/15/555897115.db2.gz GGQWPBLHPCJYIG-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN Cc1occc1C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000368366489 556288739 /nfs/dbraw/zinc/28/87/39/556288739.db2.gz DSQSDBHMPZUAGH-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN Cc1ccc(N2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 ZINC000368456317 556315238 /nfs/dbraw/zinc/31/52/38/556315238.db2.gz ZCEBKGYQOLWCBI-HNNXBMFYSA-N 0 2 355.350 2.144 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000369251623 556550121 /nfs/dbraw/zinc/55/01/21/556550121.db2.gz CKGODHBPWBWSJM-OAHLLOKOSA-N 0 2 373.340 2.317 20 5 FEBDLN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000373153932 557640107 /nfs/dbraw/zinc/64/01/07/557640107.db2.gz NKORIZLCECPERK-NSHDSACASA-N 0 2 362.367 2.000 20 5 FEBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@]2(CCCOC2)O1 ZINC000373702825 557741744 /nfs/dbraw/zinc/74/17/44/557741744.db2.gz QNPRTLHCHGOSBJ-SUMWQHHRSA-N 0 2 350.371 2.101 20 5 FEBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373740020 557748609 /nfs/dbraw/zinc/74/86/09/557748609.db2.gz BKOGSMSMIPEQJU-QFSBIZTOSA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000375622054 558058389 /nfs/dbraw/zinc/05/83/89/558058389.db2.gz ADSNTHVFVWYZBZ-NSHDSACASA-N 0 2 357.370 2.247 20 5 FEBDLN Cc1nnnn1-c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1C ZINC000375709110 558070830 /nfs/dbraw/zinc/07/08/30/558070830.db2.gz BCXUUIMVVWWMIN-UHFFFAOYSA-N 0 2 354.326 2.145 20 5 FEBDLN Cc1nc(CO[C@@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cs1 ZINC000376158914 558134695 /nfs/dbraw/zinc/13/46/95/558134695.db2.gz XKTLZYFRNRDAFV-CYBMUJFWSA-N 0 2 363.395 2.497 20 5 FEBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000410409405 558755418 /nfs/dbraw/zinc/75/54/18/558755418.db2.gz UQOHLXUEMBSHPZ-UHFFFAOYSA-N 0 2 372.790 2.425 20 5 FEBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412322939 559027931 /nfs/dbraw/zinc/02/79/31/559027931.db2.gz GGWGXHXHQSLGAQ-ZIAGYGMSSA-N 0 2 373.413 2.393 20 5 FEBDLN Cc1ccnc(C)c1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000414453484 559164773 /nfs/dbraw/zinc/16/47/73/559164773.db2.gz OYZKOHBCYNXBCT-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN CC(C)(C)c1nc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n[nH]1 ZINC000416538751 559320456 /nfs/dbraw/zinc/32/04/56/559320456.db2.gz BQNAFZNGWJBRBD-UHFFFAOYSA-N 0 2 373.822 2.142 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2sc(C)nc2C)cc([N+](=O)[O-])c1 ZINC000433513372 559883382 /nfs/dbraw/zinc/88/33/82/559883382.db2.gz ZIPSAYBIUOZPGU-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000436749425 559950797 /nfs/dbraw/zinc/95/07/97/559950797.db2.gz TUJDVQHMWQPEKN-GFCCVEGCSA-N 0 2 373.365 2.041 20 5 FEBDLN COc1cc2c(cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1)NC(=O)CC2 ZINC000436817900 559953013 /nfs/dbraw/zinc/95/30/13/559953013.db2.gz JLOUNOYCEJQTEU-UHFFFAOYSA-N 0 2 357.322 2.446 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000436828997 559953385 /nfs/dbraw/zinc/95/33/85/559953385.db2.gz OASHQNDOYVFNJL-UHFFFAOYSA-N 0 2 365.349 2.080 20 5 FEBDLN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436870658 559954985 /nfs/dbraw/zinc/95/49/85/559954985.db2.gz QUERTIIPYWMLDL-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN CS(=O)(=O)Cc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436956019 559957535 /nfs/dbraw/zinc/95/75/35/559957535.db2.gz KCEZLHXHSGVGTG-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN COC(=O)c1ccc2c(c1)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2 ZINC000436966363 559957680 /nfs/dbraw/zinc/95/76/80/559957680.db2.gz VVDFRHUECGFHHF-UHFFFAOYSA-N 0 2 356.334 2.286 20 5 FEBDLN O=C(NCc1noc(-c2cccc(F)c2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000436993186 559958980 /nfs/dbraw/zinc/95/89/80/559958980.db2.gz ZLTUJXHPEPSLKB-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)OC)ccn1 ZINC000437318407 559963298 /nfs/dbraw/zinc/96/32/98/559963298.db2.gz MKTFKOHPCFHTGN-UHFFFAOYSA-N 0 2 365.367 2.140 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@H+](CC(=O)[O-])[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000442784275 560057415 /nfs/dbraw/zinc/05/74/15/560057415.db2.gz SVKFSFBTXQZZJN-NSHDSACASA-N 0 2 353.375 2.117 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000442784275 560057417 /nfs/dbraw/zinc/05/74/17/560057417.db2.gz SVKFSFBTXQZZJN-NSHDSACASA-N 0 2 353.375 2.117 20 5 FEBDLN CCc1nc(C(C)(C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000443151505 560072968 /nfs/dbraw/zinc/07/29/68/560072968.db2.gz ADLBGBTVAAXHSE-UHFFFAOYSA-N 0 2 374.806 2.407 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1[C@@H]1CCOC1 ZINC000451099510 560287199 /nfs/dbraw/zinc/28/71/99/560287199.db2.gz LUKQKNZQSXRLDC-CYBMUJFWSA-N 0 2 366.399 2.170 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cnn1[C@H]1CCOC1 ZINC000451099511 560287205 /nfs/dbraw/zinc/28/72/05/560287205.db2.gz LUKQKNZQSXRLDC-ZDUSSCGKSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000456019692 560504726 /nfs/dbraw/zinc/50/47/26/560504726.db2.gz SJQIBBAANLTFQK-CQSZACIVSA-N 0 2 370.413 2.934 20 5 FEBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000461116455 560761938 /nfs/dbraw/zinc/76/19/38/560761938.db2.gz XNSGGGPBQBHSQC-UHFFFAOYSA-N 0 2 361.301 2.372 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc([S@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000462106085 560797596 /nfs/dbraw/zinc/79/75/96/560797596.db2.gz VUUGJWNXDYRWHV-QHCPKHFHSA-N 0 2 370.408 2.142 20 5 FEBDLN O=C(NCCCc1ccc2c(c1)OCCO2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000468707341 560936668 /nfs/dbraw/zinc/93/66/68/560936668.db2.gz OYDNHCGFKSBZIW-UHFFFAOYSA-N 0 2 358.350 2.434 20 5 FEBDLN O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000469576804 560958917 /nfs/dbraw/zinc/95/89/17/560958917.db2.gz PZCMXYRGKWCEQQ-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000534596852 562537943 /nfs/dbraw/zinc/53/79/43/562537943.db2.gz VGRASXHINSDDCH-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN CS(=O)(=O)Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000534803217 562542689 /nfs/dbraw/zinc/54/26/89/562542689.db2.gz YAUSVCUUTPUVBK-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000557044887 674433749 /nfs/dbraw/zinc/43/37/49/674433749.db2.gz KJZOXSOXMJEFJE-QGZVFWFLSA-N 0 2 350.371 2.352 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738630942 601959479 /nfs/dbraw/zinc/95/94/79/601959479.db2.gz TYTRJMKGBJVQSY-VHSXEESVSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738630942 601959481 /nfs/dbraw/zinc/95/94/81/601959481.db2.gz TYTRJMKGBJVQSY-VHSXEESVSA-N 0 2 370.793 2.165 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000739586841 601980747 /nfs/dbraw/zinc/98/07/47/601980747.db2.gz JTKJBPQYUREMAR-CYBMUJFWSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000739586841 601980749 /nfs/dbraw/zinc/98/07/49/601980749.db2.gz JTKJBPQYUREMAR-CYBMUJFWSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])C1CC[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000737937384 602535207 /nfs/dbraw/zinc/53/52/07/602535207.db2.gz JBQFIZUXHHDPQE-UHFFFAOYSA-N 0 2 361.358 2.219 20 5 FEBDLN O=C([O-])N1CC[NH+](CCCNc2nc3ccc([N+](=O)[O-])cc3s2)CC1 ZINC000740526247 602678693 /nfs/dbraw/zinc/67/86/93/602678693.db2.gz BXIOMDJPHYSLFJ-UHFFFAOYSA-N 0 2 365.415 2.302 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833953890 605816216 /nfs/dbraw/zinc/81/62/16/605816216.db2.gz DSCKQWOEHNYEJT-CABCVRRESA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1C ZINC000822328744 607154444 /nfs/dbraw/zinc/15/44/44/607154444.db2.gz SEHWZTJYXDECLC-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)cs1 ZINC000811832934 674632064 /nfs/dbraw/zinc/63/20/64/674632064.db2.gz DUVQBVFOLNDDKQ-UHFFFAOYSA-N 0 2 359.776 2.153 20 5 FEBDLN CC(C)(C)c1nc(=NC(=O)NCCNc2ccc([N+](=O)[O-])cc2)s[nH]1 ZINC000609712126 675934186 /nfs/dbraw/zinc/93/41/86/675934186.db2.gz FSOOCHQRLBMQMN-UHFFFAOYSA-N 0 2 364.431 2.399 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CO)ccc1C ZINC000610111227 675954451 /nfs/dbraw/zinc/95/44/51/675954451.db2.gz GOHVXCFRNZAWGI-UHFFFAOYSA-N 0 2 352.368 2.205 20 5 FEBDLN NC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1Cl ZINC000120160696 671918869 /nfs/dbraw/zinc/91/88/69/671918869.db2.gz VHZALPWJKZWWOX-UHFFFAOYSA-N 0 2 361.788 2.209 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000589558894 672531669 /nfs/dbraw/zinc/53/16/69/672531669.db2.gz IFVSDUQZHNPCCX-UHFFFAOYSA-N 0 2 365.367 2.140 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)coc1C(=O)N(C)C ZINC000592381800 672794760 /nfs/dbraw/zinc/79/47/60/672794760.db2.gz FLVMBNPYYCOUKF-UHFFFAOYSA-N 0 2 367.383 2.307 20 5 FEBDLN Cn1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)n1 ZINC000599319890 673658136 /nfs/dbraw/zinc/65/81/36/673658136.db2.gz NKXXRIPWHKKCNX-IUCAKERBSA-N 0 2 370.353 2.118 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCCCC1 ZINC000600413424 673765764 /nfs/dbraw/zinc/76/57/64/673765764.db2.gz PQNPHYXKFROJOE-CQSZACIVSA-N 0 2 350.371 2.400 20 5 FEBDLN COc1cc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cnc1OC ZINC000600661418 673787774 /nfs/dbraw/zinc/78/77/74/673787774.db2.gz XGZHCSIZZGRSNU-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000619868234 676397867 /nfs/dbraw/zinc/39/78/67/676397867.db2.gz CZCGGXMOXLJTMI-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCc1n[nH]c(=S)o1 ZINC000841427414 680880668 /nfs/dbraw/zinc/88/06/68/680880668.db2.gz WDXOEEKXQDXSOV-UHFFFAOYSA-N 0 2 354.413 2.351 20 5 FEBDLN Cc1cc(F)cc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000847078478 681329883 /nfs/dbraw/zinc/32/98/83/681329883.db2.gz JBGWDAMWABTYIO-SECBINFHSA-N 0 2 350.306 2.151 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)cc1F ZINC000782262102 682022207 /nfs/dbraw/zinc/02/22/07/682022207.db2.gz XNWCSGWVCFTUCC-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000788215357 682512080 /nfs/dbraw/zinc/51/20/80/682512080.db2.gz VHUFXBSARMEMNP-MRVPVSSYSA-N 0 2 358.401 2.263 20 5 FEBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000029323588 539850490 /nfs/dbraw/zinc/85/04/90/539850490.db2.gz URUOEQUMYJPMNC-UHFFFAOYSA-N 0 2 350.356 2.147 20 5 FEBDLN CCOCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801384286 674125151 /nfs/dbraw/zinc/12/51/51/674125151.db2.gz FKAASWAUZKNAOG-UHFFFAOYSA-N 0 2 355.734 2.333 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000078352059 542456957 /nfs/dbraw/zinc/45/69/57/542456957.db2.gz SYQBPJFFFOLMPC-UHFFFAOYSA-N 0 2 355.397 2.738 20 5 FEBDLN CCCCN(C)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000080400707 542587521 /nfs/dbraw/zinc/58/75/21/542587521.db2.gz HDPHPNXXEBVZMC-UHFFFAOYSA-N 0 2 363.414 2.411 20 5 FEBDLN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000803058984 674220448 /nfs/dbraw/zinc/22/04/48/674220448.db2.gz VVJJPIIIPKQFPS-SNVBAGLBSA-N 0 2 353.375 2.334 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000179437335 327643080 /nfs/dbraw/zinc/64/30/80/327643080.db2.gz ZFPPSCZJGAMMFG-HNNXBMFYSA-N 0 2 355.350 2.004 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)no1 ZINC000180298037 327680108 /nfs/dbraw/zinc/68/01/08/327680108.db2.gz UGHPPAZQDJFCJW-UHFFFAOYSA-N 0 2 366.277 2.360 20 5 FEBDLN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000157663296 326871409 /nfs/dbraw/zinc/87/14/09/326871409.db2.gz XQMYZOWWCDLUDQ-STQMWFEESA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(Cc1csc(-c2cnccn2)n1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166171845 327080900 /nfs/dbraw/zinc/08/09/00/327080900.db2.gz PLKUXJLOWWEELU-UHFFFAOYSA-N 0 2 357.351 2.395 20 5 FEBDLN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000275007308 330001513 /nfs/dbraw/zinc/00/15/13/330001513.db2.gz DHBCTUVCKPVGKM-LLVKDONJSA-N 0 2 352.412 2.475 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3cnccn3)cn2)cc1 ZINC000373644567 330248089 /nfs/dbraw/zinc/24/80/89/330248089.db2.gz NMACHAAEGHWGGZ-UHFFFAOYSA-N 0 2 357.351 2.248 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2Cn2cncn2)c([N+](=O)[O-])c1 ZINC000158666835 545882119 /nfs/dbraw/zinc/88/21/19/545882119.db2.gz QMULTAAZNNJTIH-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ncc(C)o2)cc([N+](=O)[O-])c1C ZINC000481411415 561232495 /nfs/dbraw/zinc/23/24/95/561232495.db2.gz ZSDZTHUSDUXIQS-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179453302 546957023 /nfs/dbraw/zinc/95/70/23/546957023.db2.gz MGKTVAZZKDPWGI-STQMWFEESA-N 0 2 363.414 2.457 20 5 FEBDLN COc1ccc(C(=O)NCCCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483439845 561277275 /nfs/dbraw/zinc/27/72/75/561277275.db2.gz LHTUEDHDUGZTLD-UHFFFAOYSA-N 0 2 373.365 2.458 20 5 FEBDLN O=C(NCc1cccc(Cn2cccn2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000181911726 547402922 /nfs/dbraw/zinc/40/29/22/547402922.db2.gz DNMKPNXOSIOQDR-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])cc1O ZINC000184615983 547854376 /nfs/dbraw/zinc/85/43/76/547854376.db2.gz KEERTSBTEMRNDM-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184657264 547861872 /nfs/dbraw/zinc/86/18/72/547861872.db2.gz NWCDQXGTGUTJEW-UHFFFAOYSA-N 0 2 355.350 2.357 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000184672418 547863756 /nfs/dbraw/zinc/86/37/56/547863756.db2.gz XONDNQFCINWUHU-HNNXBMFYSA-N 0 2 355.350 2.004 20 5 FEBDLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000486822403 561357705 /nfs/dbraw/zinc/35/77/05/561357705.db2.gz JCGGGORTEMFPIV-UHFFFAOYSA-N 0 2 365.349 2.080 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000489002318 561401249 /nfs/dbraw/zinc/40/12/49/561401249.db2.gz KUCLUGOKOSPGAU-LLVKDONJSA-N 0 2 368.415 2.416 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000491059792 561442270 /nfs/dbraw/zinc/44/22/70/561442270.db2.gz LPCXJDNCMOWPCM-UHFFFAOYSA-N 0 2 369.786 2.409 20 5 FEBDLN CC(C)CNC(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000270424219 550271362 /nfs/dbraw/zinc/27/13/62/550271362.db2.gz SVZFAUWSTQRFGN-LBPRGKRZSA-N 0 2 364.402 2.317 20 5 FEBDLN CCOC(=O)c1oc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)nc1C ZINC000271151490 550345581 /nfs/dbraw/zinc/34/55/81/550345581.db2.gz KWZYVIBVRRXOJN-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)c([N+](=O)[O-])c1 ZINC000272432021 550447407 /nfs/dbraw/zinc/44/74/07/550447407.db2.gz QZCHRHGFQBUROS-UHFFFAOYSA-N 0 2 362.314 2.373 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(C)(C)C)o1 ZINC000278380906 550779297 /nfs/dbraw/zinc/77/92/97/550779297.db2.gz LTRCVQOESOBJCN-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN Cn1c(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc2cc(F)ccc21 ZINC000497680340 561506217 /nfs/dbraw/zinc/50/62/17/561506217.db2.gz IVKNRTSVCXABHP-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000285899003 551825003 /nfs/dbraw/zinc/82/50/03/551825003.db2.gz HLIYKOXVKWRDKW-LBPRGKRZSA-N 0 2 351.359 2.041 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cnn1C ZINC000291838279 552666840 /nfs/dbraw/zinc/66/68/40/552666840.db2.gz DOALJCHHZCSKTR-UHFFFAOYSA-N 0 2 362.314 2.039 20 5 FEBDLN O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508401297 561761208 /nfs/dbraw/zinc/76/12/08/561761208.db2.gz JMLHZIIAADYFFN-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN CCCCN(C)C(=O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000508708499 561770350 /nfs/dbraw/zinc/77/03/50/561770350.db2.gz BFUMEWVMGKFEGD-UHFFFAOYSA-N 0 2 363.414 2.411 20 5 FEBDLN O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509805409 561814657 /nfs/dbraw/zinc/81/46/57/561814657.db2.gz FLNDKRJDUSEAJO-UHFFFAOYSA-N 0 2 369.337 2.223 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccc3c2oc(=O)n3C)ccc1[N+](=O)[O-] ZINC000512753473 561914329 /nfs/dbraw/zinc/91/43/29/561914329.db2.gz YCTCXZONZKNYFQ-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000367934691 556176024 /nfs/dbraw/zinc/17/60/24/556176024.db2.gz UOHQFRJUZZQDMO-UHFFFAOYSA-N 0 2 365.349 2.256 20 5 FEBDLN C[C@@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000368610794 556361370 /nfs/dbraw/zinc/36/13/70/556361370.db2.gz BACNSSSTXWHLOQ-IAQYHMDHSA-N 0 2 355.350 2.224 20 5 FEBDLN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000373261676 557660920 /nfs/dbraw/zinc/66/09/20/557660920.db2.gz XHOOELLSFPMLCE-LLVKDONJSA-N 0 2 371.349 2.443 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@]2(CCCOC2)O1 ZINC000373697242 557740434 /nfs/dbraw/zinc/74/04/34/557740434.db2.gz QHJFHIJABIIZHA-CXAGYDPISA-N 0 2 350.371 2.101 20 5 FEBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373735428 557747804 /nfs/dbraw/zinc/74/78/04/557747804.db2.gz HEIPOGDLLHALBK-PSTGCABASA-N 0 2 350.371 2.099 20 5 FEBDLN CN1Cc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc2NC1=O ZINC000375387995 558019198 /nfs/dbraw/zinc/01/91/98/558019198.db2.gz BPTXHMIPVKPDRJ-UHFFFAOYSA-N 0 2 368.396 2.434 20 5 FEBDLN O=C(NC[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1)c1ccco1 ZINC000375910883 558098376 /nfs/dbraw/zinc/09/83/76/558098376.db2.gz WZKPMFBWFOLIJY-GFCCVEGCSA-N 0 2 373.365 2.176 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000377477255 558347388 /nfs/dbraw/zinc/34/73/88/558347388.db2.gz STZRGWATROMNLC-AWEZNQCLSA-N 0 2 361.398 2.165 20 5 FEBDLN COc1cc(CCN=c2[nH]nc(C3CC3)s2)c([N+](=O)[O-])cc1OC ZINC000432124061 559852415 /nfs/dbraw/zinc/85/24/15/559852415.db2.gz XWBNAILXRVKYEU-UHFFFAOYSA-N 0 2 350.400 2.996 20 5 FEBDLN O=C(NCc1nc(-c2cccc(F)c2)no1)c1ccc([N+](=O)[O-])cc1O ZINC000436815036 559952825 /nfs/dbraw/zinc/95/28/25/559952825.db2.gz MMTXBJKVUIEFOL-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN CN(C)c1ncn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3O)c2)n1 ZINC000436919586 559956405 /nfs/dbraw/zinc/95/64/05/559956405.db2.gz ONGLWUXPDFZRSB-UHFFFAOYSA-N 0 2 368.353 2.199 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436935500 559956789 /nfs/dbraw/zinc/95/67/89/559956789.db2.gz CMLSASYCXACPLB-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(NCc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000436948201 559957219 /nfs/dbraw/zinc/95/72/19/559957219.db2.gz JCEFXYFXIKEFFF-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN Cc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000451097406 560286992 /nfs/dbraw/zinc/28/69/92/560286992.db2.gz DRNBOGYCKABJSJ-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452483078 560365981 /nfs/dbraw/zinc/36/59/81/560365981.db2.gz NQNCRXPPRGFGDU-YJBOKZPZSA-N 0 2 360.341 2.241 20 5 FEBDLN CC(C)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000455645855 560490409 /nfs/dbraw/zinc/49/04/09/560490409.db2.gz YKQAJXDLIMPDSF-UHFFFAOYSA-N 0 2 374.191 2.091 20 5 FEBDLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1Br ZINC000455645855 560490410 /nfs/dbraw/zinc/49/04/10/560490410.db2.gz YKQAJXDLIMPDSF-UHFFFAOYSA-N 0 2 374.191 2.091 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1C ZINC000463470115 560816187 /nfs/dbraw/zinc/81/61/87/560816187.db2.gz MIZASRHXLZUQEY-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(F)c1 ZINC000467769247 560916826 /nfs/dbraw/zinc/91/68/26/560916826.db2.gz JQMJPOVNXVIWMZ-UHFFFAOYSA-N 0 2 358.322 2.360 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C)c1C ZINC000468633410 560934531 /nfs/dbraw/zinc/93/45/31/560934531.db2.gz XIKQTOLYVJHXSD-UHFFFAOYSA-N 0 2 354.388 2.121 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnc3onc(C)c3c2)ccc1[N+](=O)[O-] ZINC000468882885 560941317 /nfs/dbraw/zinc/94/13/17/560941317.db2.gz IJAVCBQJFNCDMZ-UHFFFAOYSA-N 0 2 364.339 2.249 20 5 FEBDLN Cn1c(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc2ccc(F)cc21 ZINC000469668836 560961186 /nfs/dbraw/zinc/96/11/86/560961186.db2.gz ZOWBLANTWOMKLY-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(C)n1 ZINC000469979953 560970603 /nfs/dbraw/zinc/97/06/03/560970603.db2.gz CBKMBWUZNIGYGX-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000475840665 561106651 /nfs/dbraw/zinc/10/66/51/561106651.db2.gz UVSZYGYGSPEGQX-UHFFFAOYSA-N 0 2 368.268 2.294 20 5 FEBDLN CCn1cc(S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000541826221 562620791 /nfs/dbraw/zinc/62/07/91/562620791.db2.gz UZSWIWJZEGOYLD-VIFPVBQESA-N 0 2 358.342 2.067 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000740175923 602388340 /nfs/dbraw/zinc/38/83/40/602388340.db2.gz VKXWMNDNZALVRZ-UHFFFAOYSA-N 0 2 364.402 2.164 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000830138081 603554717 /nfs/dbraw/zinc/55/47/17/603554717.db2.gz KJJYQGKMFSDAAK-DOMZBBRYSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000830138081 603554721 /nfs/dbraw/zinc/55/47/21/603554721.db2.gz KJJYQGKMFSDAAK-DOMZBBRYSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cc(Nc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000826271392 609587809 /nfs/dbraw/zinc/58/78/09/609587809.db2.gz PGYCNZDVNOYGQE-VIFPVBQESA-N 0 2 355.362 2.389 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)c(F)c1 ZINC000571219506 670837174 /nfs/dbraw/zinc/83/71/74/670837174.db2.gz IKYYIGGOFKWJLK-UHFFFAOYSA-N 0 2 371.737 2.231 20 5 FEBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000573786676 671164696 /nfs/dbraw/zinc/16/46/96/671164696.db2.gz OPYAXMFDUYORJH-UHFFFAOYSA-N 0 2 360.717 2.386 20 5 FEBDLN COc1nc(C)cc(C)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000608980855 675908537 /nfs/dbraw/zinc/90/85/37/675908537.db2.gz QNHYENRQZRYBAA-UHFFFAOYSA-N 0 2 369.374 2.233 20 5 FEBDLN CC(C)(C)c1nc(=NC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)s[nH]1 ZINC000609023440 675909034 /nfs/dbraw/zinc/90/90/34/675909034.db2.gz JNFPUJQEEPYCFM-UHFFFAOYSA-N 0 2 350.356 2.147 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000609905819 675942439 /nfs/dbraw/zinc/94/24/39/675942439.db2.gz ZUPQLUFSALYDCF-UHFFFAOYSA-N 0 2 366.351 2.278 20 5 FEBDLN C[C@@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174041866 672357332 /nfs/dbraw/zinc/35/73/32/672357332.db2.gz ZZKMPPQQQQLRQT-MRVPVSSYSA-N 0 2 372.378 2.454 20 5 FEBDLN CCOC(=O)CCC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000586800443 672435520 /nfs/dbraw/zinc/43/55/20/672435520.db2.gz VQEOWXYUCBJLQP-UHFFFAOYSA-N 0 2 350.371 2.496 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000612600066 676090065 /nfs/dbraw/zinc/09/00/65/676090065.db2.gz ZJCXWVOOJBOQOE-UHFFFAOYSA-N 0 2 367.383 2.436 20 5 FEBDLN COC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000536704509 673377581 /nfs/dbraw/zinc/37/75/81/673377581.db2.gz AJQAGLXDYRCNQU-ZDUSSCGKSA-N 0 2 354.359 2.400 20 5 FEBDLN Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000537766443 673406560 /nfs/dbraw/zinc/40/65/60/673406560.db2.gz DDIAZQFJJPMMDV-UHFFFAOYSA-N 0 2 364.379 2.411 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000539856345 673509943 /nfs/dbraw/zinc/50/99/43/673509943.db2.gz XWCRGYRWIJKDAV-UHFFFAOYSA-N 0 2 350.352 2.434 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c1C ZINC000543148582 673627755 /nfs/dbraw/zinc/62/77/55/673627755.db2.gz WKRGRUZGLTWYQS-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cccc1[N+](=O)[O-] ZINC000602050782 673901361 /nfs/dbraw/zinc/90/13/61/673901361.db2.gz BPMUYRXQBDBTQW-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c(C)n1 ZINC000619507231 676382518 /nfs/dbraw/zinc/38/25/18/676382518.db2.gz RNEAOWDIBFDXNW-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nc1 ZINC000758425448 680578256 /nfs/dbraw/zinc/57/82/56/680578256.db2.gz MNUZTHGFVJAHRX-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)c[nH]1 ZINC000768867694 680962646 /nfs/dbraw/zinc/96/26/46/680962646.db2.gz HOEVFAJLDRJENO-UHFFFAOYSA-N 0 2 359.747 2.164 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000769868633 680997840 /nfs/dbraw/zinc/99/78/40/680997840.db2.gz MYDYAYXCIBOISK-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000774215235 681173341 /nfs/dbraw/zinc/17/33/41/681173341.db2.gz BGUIUTAONUGOIR-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)c(OC)n1 ZINC000777926239 681544427 /nfs/dbraw/zinc/54/44/27/681544427.db2.gz CQPCFSKFRVVREM-UHFFFAOYSA-N 0 2 371.346 2.255 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000794865143 683000131 /nfs/dbraw/zinc/00/01/31/683000131.db2.gz NLWMBQUVODXPCF-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN Cc1noc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC000795811459 683094388 /nfs/dbraw/zinc/09/43/88/683094388.db2.gz SLSWMMHFBHGIIK-RXMQYKEDSA-N 0 2 364.742 2.118 20 5 FEBDLN C[C@@H]1Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000007729241 539464882 /nfs/dbraw/zinc/46/48/82/539464882.db2.gz BCXSYUKNBAZZRK-VIFPVBQESA-N 0 2 363.351 2.115 20 5 FEBDLN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018094462 539646678 /nfs/dbraw/zinc/64/66/78/539646678.db2.gz UBPOILZTQBHVFC-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN CCNC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000025652104 539765401 /nfs/dbraw/zinc/76/54/01/539765401.db2.gz POBKDHXMBCWKJL-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN CCNC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000031814774 539920410 /nfs/dbraw/zinc/92/04/10/539920410.db2.gz KHJYUPZVTYBNBK-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1Cn1cncn1 ZINC000055686735 540671046 /nfs/dbraw/zinc/67/10/46/540671046.db2.gz NBTYPMZIAUEXLF-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000060441756 541112117 /nfs/dbraw/zinc/11/21/17/541112117.db2.gz YBDZBCOLQINVOH-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000072758350 541860927 /nfs/dbraw/zinc/86/09/27/541860927.db2.gz WJBDKVRAZFAONI-UHFFFAOYSA-N 0 2 354.388 2.495 20 5 FEBDLN CO[C@H](C)COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386940 674125161 /nfs/dbraw/zinc/12/51/61/674125161.db2.gz PYNBTYSSEYSLPZ-MRVPVSSYSA-N 0 2 355.734 2.331 20 5 FEBDLN CN=c1[nH]nc(CC(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000545382484 541953155 /nfs/dbraw/zinc/95/31/55/541953155.db2.gz STTMCAPUXHIRND-ZDUSSCGKSA-N 0 2 365.440 2.305 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000075923657 542215433 /nfs/dbraw/zinc/21/54/33/542215433.db2.gz UVLZVIGUJQODFB-UHFFFAOYSA-N 0 2 355.397 2.738 20 5 FEBDLN CCC(CC)C(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000132213884 544223503 /nfs/dbraw/zinc/22/35/03/544223503.db2.gz SVDCTCMOKGOKTJ-UHFFFAOYSA-N 0 2 363.414 2.457 20 5 FEBDLN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179453289 327644164 /nfs/dbraw/zinc/64/41/64/327644164.db2.gz MGKTVAZZKDPWGI-QWHCGFSZSA-N 0 2 363.414 2.457 20 5 FEBDLN C[C@@H](c1nccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000185694244 327928222 /nfs/dbraw/zinc/92/82/22/327928222.db2.gz ZLNKWNINFZXVIY-NSHDSACASA-N 0 2 362.411 2.276 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C(=O)N(C)C ZINC000080942066 325149307 /nfs/dbraw/zinc/14/93/07/325149307.db2.gz QOYHVQSFPDEHAZ-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN Cc1ccc([C@@H](C)NC(=O)c2c[nH]c3c(cnn3C)c2=O)cc1[N+](=O)[O-] ZINC000119318660 326148718 /nfs/dbraw/zinc/14/87/18/326148718.db2.gz LYGCOBNEIXZNKS-SNVBAGLBSA-N 0 2 355.354 2.382 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000119832243 326202709 /nfs/dbraw/zinc/20/27/09/326202709.db2.gz AHYZIMDJKXILOZ-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CO2 ZINC000152592853 326711267 /nfs/dbraw/zinc/71/12/67/326711267.db2.gz XFSWBZWUGWDXGW-LBPRGKRZSA-N 0 2 352.343 2.454 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)c(C)c2)c1C ZINC000163412408 327051048 /nfs/dbraw/zinc/05/10/48/327051048.db2.gz RJPZGGQRJAFTBD-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000178708700 327601446 /nfs/dbraw/zinc/60/14/46/327601446.db2.gz UJAVPYAHRKOEGN-UHFFFAOYSA-N 0 2 359.357 2.398 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(CN2CCCCC2=O)CC1 ZINC000266456752 329224755 /nfs/dbraw/zinc/22/47/55/329224755.db2.gz PKGBNLCVILSJBN-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000272379778 329776046 /nfs/dbraw/zinc/77/60/46/329776046.db2.gz ISHYHOXQMUWCLW-UHFFFAOYSA-N 0 2 358.354 2.093 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272405017 329778300 /nfs/dbraw/zinc/77/83/00/329778300.db2.gz NPBYSQGRPKSQHI-LLVKDONJSA-N 0 2 365.386 2.287 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000367197039 330228465 /nfs/dbraw/zinc/22/84/65/330228465.db2.gz VTCDXTDLLJCNNU-AWEZNQCLSA-N 0 2 355.350 2.004 20 5 FEBDLN COC(=O)c1ccnc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000481028958 561223351 /nfs/dbraw/zinc/22/33/51/561223351.db2.gz VVWLDYKPTYBTOF-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])o1 ZINC000481410469 561232471 /nfs/dbraw/zinc/23/24/71/561232471.db2.gz CIDPQXABPVGQCQ-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 ZINC000181359365 547300323 /nfs/dbraw/zinc/30/03/23/547300323.db2.gz NVHNLGXNGAOOOK-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c(F)c1 ZINC000181364995 547301239 /nfs/dbraw/zinc/30/12/39/547301239.db2.gz GTWVOYPFQDEXCS-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181966001 547414806 /nfs/dbraw/zinc/41/48/06/547414806.db2.gz ZLOSEGWPLHNKPN-UHFFFAOYSA-N 0 2 365.292 2.289 20 5 FEBDLN O=C(CCn1cnc2sccc2c1=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183902620 547736593 /nfs/dbraw/zinc/73/65/93/547736593.db2.gz FHNYPFCYRHQAHT-UHFFFAOYSA-N 0 2 360.351 2.101 20 5 FEBDLN Cc1cc(=O)c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1ccccc1 ZINC000183908825 547737791 /nfs/dbraw/zinc/73/77/91/547737791.db2.gz PRTNQQWZGMFISI-UHFFFAOYSA-N 0 2 366.333 2.407 20 5 FEBDLN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184633327 547857672 /nfs/dbraw/zinc/85/76/72/547857672.db2.gz LPKFZERCNIUSOR-KRWDZBQOSA-N 0 2 371.393 2.104 20 5 FEBDLN COC(=O)C(C)(C)c1csc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000485433831 561319094 /nfs/dbraw/zinc/31/90/94/561319094.db2.gz JXESPTXVWKMKFX-UHFFFAOYSA-N 0 2 365.367 2.460 20 5 FEBDLN C[C@H](c1nccs1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000185703344 548022294 /nfs/dbraw/zinc/02/22/94/548022294.db2.gz MZRIUQGWZXAEAS-LLVKDONJSA-N 0 2 362.411 2.276 20 5 FEBDLN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186633237 548162648 /nfs/dbraw/zinc/16/26/48/548162648.db2.gz TWJUAMXHAGEYHT-UHFFFAOYSA-N 0 2 367.365 2.151 20 5 FEBDLN O=C([O-])C1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCCC1 ZINC000237980741 548868689 /nfs/dbraw/zinc/86/86/89/548868689.db2.gz BIUSTJPNXKLPJY-UHFFFAOYSA-N 0 2 358.354 2.298 20 5 FEBDLN CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000263868148 549948300 /nfs/dbraw/zinc/94/83/00/549948300.db2.gz LBYVELUGNJVEIY-UHFFFAOYSA-N 0 2 350.371 2.494 20 5 FEBDLN O=C(NCCCn1cc(Br)cn1)c1cccc(O)c1[N+](=O)[O-] ZINC000492694346 561452289 /nfs/dbraw/zinc/45/22/89/561452289.db2.gz DMYKSLXNCSAJCQ-UHFFFAOYSA-N 0 2 369.175 2.080 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000274920683 550565109 /nfs/dbraw/zinc/56/51/09/550565109.db2.gz JFLLVMCHJMGLCW-WBVHZDCISA-N 0 2 372.377 2.265 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000276690842 550585685 /nfs/dbraw/zinc/58/56/85/550585685.db2.gz VHNYHTUISDJPMJ-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN O=C1C[C@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CN1CC1CCC1 ZINC000277912485 550728064 /nfs/dbraw/zinc/72/80/64/550728064.db2.gz MKNYLQOGUBEDFU-LBPRGKRZSA-N 0 2 358.354 2.466 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)ccc1[N+](=O)[O-] ZINC000280388056 550988291 /nfs/dbraw/zinc/98/82/91/550988291.db2.gz WMAVTTZXSDYMAM-NSHDSACASA-N 0 2 366.399 2.321 20 5 FEBDLN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000284214257 551505720 /nfs/dbraw/zinc/50/57/20/551505720.db2.gz ANCFNJTVZDVFLZ-UHFFFAOYSA-N 0 2 360.326 2.298 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000291827828 552665799 /nfs/dbraw/zinc/66/57/99/552665799.db2.gz FWUJDTXRHFCBTR-UHFFFAOYSA-N 0 2 363.395 2.350 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000293950032 552870083 /nfs/dbraw/zinc/87/00/83/552870083.db2.gz OXIXPVRJHMPWRM-UHFFFAOYSA-N 0 2 356.378 2.467 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295308399 552985136 /nfs/dbraw/zinc/98/51/36/552985136.db2.gz KQQVIJLPTGQEOQ-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COC(=O)c1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000326097712 553779359 /nfs/dbraw/zinc/77/93/59/553779359.db2.gz WAPLHCAKBUBZGA-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000507014074 561714030 /nfs/dbraw/zinc/71/40/30/561714030.db2.gz UGFSTOBIPXQYBJ-UHFFFAOYSA-N 0 2 350.352 2.434 20 5 FEBDLN O=C(NCc1cccc(Cn2cccn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000507747611 561739819 /nfs/dbraw/zinc/73/98/19/561739819.db2.gz MDXKWUKBPLRIJU-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000331358435 554250703 /nfs/dbraw/zinc/25/07/03/554250703.db2.gz VEOKGNOHKBLNSD-QGZVFWFLSA-N 0 2 350.371 2.494 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000509487332 561801820 /nfs/dbraw/zinc/80/18/20/561801820.db2.gz HPNANDOLFLQLSL-STQMWFEESA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000364920422 555437763 /nfs/dbraw/zinc/43/77/63/555437763.db2.gz GFUVIDSUNATWTF-UHFFFAOYSA-N 0 2 359.294 2.112 20 5 FEBDLN COc1ccc(-n2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC000366732986 555920815 /nfs/dbraw/zinc/92/08/15/555920815.db2.gz YUESIWIVDZCVLZ-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C[C@@H]2O ZINC000367390130 556035325 /nfs/dbraw/zinc/03/53/25/556035325.db2.gz ZJAWXYRNEKVJAG-ZDUSSCGKSA-N 0 2 374.349 2.007 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1-c1ccccn1 ZINC000368445999 556311584 /nfs/dbraw/zinc/31/15/84/556311584.db2.gz RJKFPHHKDQPJJW-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000515695715 562019656 /nfs/dbraw/zinc/01/96/56/562019656.db2.gz RXAYVWFKOIXLFZ-UHFFFAOYSA-N 0 2 365.323 2.251 20 5 FEBDLN Cc1nnc([C@H]2CC23CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC3)o1 ZINC000370868562 556996347 /nfs/dbraw/zinc/99/63/47/556996347.db2.gz NVYGOPXQYXTZAM-GFCCVEGCSA-N 0 2 358.354 2.402 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000375909923 558098391 /nfs/dbraw/zinc/09/83/91/558098391.db2.gz OPDJUJWFCVWRDE-LJQANCHMSA-N 0 2 356.378 2.467 20 5 FEBDLN COC(=O)[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000376091319 558125712 /nfs/dbraw/zinc/12/57/12/558125712.db2.gz IUQKTRFTSXCXSD-DZGCQCFKSA-N 0 2 356.334 2.432 20 5 FEBDLN Cc1ccsc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NCCO ZINC000525532208 562250051 /nfs/dbraw/zinc/25/00/51/562250051.db2.gz DRQRMXFNAINTQT-UHFFFAOYSA-N 0 2 357.413 2.170 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])n(C)n1 ZINC000414433850 559163729 /nfs/dbraw/zinc/16/37/29/559163729.db2.gz CELBWZHUZFYWOW-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cnn(CCO)c1-c1ccccc1 ZINC000433381223 559879355 /nfs/dbraw/zinc/87/93/55/559879355.db2.gz IPLPJSSRKGYCHX-UHFFFAOYSA-N 0 2 368.349 2.409 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@H](COc2ccccc2)C1 ZINC000436523823 559944324 /nfs/dbraw/zinc/94/43/24/559944324.db2.gz CQMRIJZZVCJGOI-HNNXBMFYSA-N 0 2 358.350 2.220 20 5 FEBDLN O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436691921 559948942 /nfs/dbraw/zinc/94/89/42/559948942.db2.gz UYLWBLNTDPPPGA-ZDUSSCGKSA-N 0 2 370.365 2.337 20 5 FEBDLN Cn1c(=O)c(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc2ccccc21 ZINC000436695049 559948968 /nfs/dbraw/zinc/94/89/68/559948968.db2.gz DCYNPVFFBDASJK-UHFFFAOYSA-N 0 2 353.334 2.082 20 5 FEBDLN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436717990 559950029 /nfs/dbraw/zinc/95/00/29/559950029.db2.gz VEGWKOYRYLEYEF-WBMJQRKESA-N 0 2 372.377 2.451 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)NC(=O)CO2 ZINC000436859428 559954699 /nfs/dbraw/zinc/95/46/99/559954699.db2.gz KUKVWSHZHUBVFW-SECBINFHSA-N 0 2 357.322 2.122 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436946751 559957313 /nfs/dbraw/zinc/95/73/13/559957313.db2.gz KCOUCUYGGXJUCY-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CN(C)C(=O)COc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436958538 559957558 /nfs/dbraw/zinc/95/75/58/559957558.db2.gz IHIKZIOUAPZHEJ-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436961453 559957787 /nfs/dbraw/zinc/95/77/87/559957787.db2.gz UMYRKJAZSUOTEJ-AWEZNQCLSA-N 0 2 362.313 2.474 20 5 FEBDLN CCc1cnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)s1 ZINC000440163856 560005926 /nfs/dbraw/zinc/00/59/26/560005926.db2.gz UQNGPEDZKHPUCT-UHFFFAOYSA-N 0 2 362.411 2.282 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c([N+](=O)[O-])n1 ZINC000446952618 560154076 /nfs/dbraw/zinc/15/40/76/560154076.db2.gz RCQAMKDMGZACMX-UHFFFAOYSA-N 0 2 357.417 2.336 20 5 FEBDLN Cc1c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000451097405 560286987 /nfs/dbraw/zinc/28/69/87/560286987.db2.gz DRNBOGYCKABJSJ-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN CCOc1cccc(CN(CCO)C(=O)c2cccc(O)c2[N+](=O)[O-])c1 ZINC000456971747 560541524 /nfs/dbraw/zinc/54/15/24/560541524.db2.gz WEYUNGYWPGABMJ-UHFFFAOYSA-N 0 2 360.366 2.334 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1OC(C)C ZINC000461107541 560761523 /nfs/dbraw/zinc/76/15/23/560761523.db2.gz MAXIHXDCRUPWAU-UHFFFAOYSA-N 0 2 351.384 2.308 20 5 FEBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cc1 ZINC000463517220 560817800 /nfs/dbraw/zinc/81/78/00/560817800.db2.gz OPYVWVCLFHTPGD-UHFFFAOYSA-N 0 2 372.362 2.043 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000466975292 560900645 /nfs/dbraw/zinc/90/06/45/560900645.db2.gz CNIRTLBXGICKEB-UHFFFAOYSA-N 0 2 356.385 2.256 20 5 FEBDLN CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000469882721 560967920 /nfs/dbraw/zinc/96/79/20/560967920.db2.gz FVSNNEOOMRBHPU-UHFFFAOYSA-N 0 2 364.402 2.003 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000534205404 562527512 /nfs/dbraw/zinc/52/75/12/562527512.db2.gz DYYNSNZKUOVIHE-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536310124 562574209 /nfs/dbraw/zinc/57/42/09/562574209.db2.gz IYRWOLNUODESKM-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000536417586 562575058 /nfs/dbraw/zinc/57/50/58/562575058.db2.gz UMKRWGPTOLUYOF-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN O=C(CCCNC(=O)c1cccc(O)c1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000537218626 562588076 /nfs/dbraw/zinc/58/80/76/562588076.db2.gz FILHIUVYKOXATA-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=C1C[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000545469589 562627740 /nfs/dbraw/zinc/62/77/40/562627740.db2.gz VZSDUGJEVJZAEQ-GFCCVEGCSA-N 0 2 350.327 2.340 20 5 FEBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ncc(C(=O)[O-])s1 ZINC000830524458 602330750 /nfs/dbraw/zinc/33/07/50/602330750.db2.gz ZYUSSCCQWPGRHZ-UHFFFAOYSA-N 0 2 373.350 2.212 20 5 FEBDLN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000832234949 605940985 /nfs/dbraw/zinc/94/09/85/605940985.db2.gz PQYPYAWNVAOUEH-YHWZYXNKSA-N 0 2 362.386 2.186 20 5 FEBDLN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000832234949 605940990 /nfs/dbraw/zinc/94/09/90/605940990.db2.gz PQYPYAWNVAOUEH-YHWZYXNKSA-N 0 2 362.386 2.186 20 5 FEBDLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000120054425 671915765 /nfs/dbraw/zinc/91/57/65/671915765.db2.gz WXWKEORYZBUDCZ-UHFFFAOYSA-N 0 2 365.396 2.346 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000583784937 672125621 /nfs/dbraw/zinc/12/56/21/672125621.db2.gz DKPXUNLLURQMEL-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000544622520 673721535 /nfs/dbraw/zinc/72/15/35/673721535.db2.gz FYFAHXBJRPSLKF-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OCCO)cc2)c1F ZINC000760355062 680684031 /nfs/dbraw/zinc/68/40/31/680684031.db2.gz HKEFCLBCBQRJEW-UHFFFAOYSA-N 0 2 370.358 2.214 20 5 FEBDLN O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(C[C@@H]1CCCO1)c1ccc(Br)cn1 ZINC000841347959 680874270 /nfs/dbraw/zinc/87/42/70/680874270.db2.gz XQLYOFFPVODONK-QJPTWQEYSA-N 0 2 370.203 2.021 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000767169579 680901300 /nfs/dbraw/zinc/90/13/00/680901300.db2.gz ZAYRZFMTIAUOOC-UHFFFAOYSA-N 0 2 358.339 2.478 20 5 FEBDLN COC(=O)COc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768867226 680962446 /nfs/dbraw/zinc/96/24/46/680962446.db2.gz YWXXERSKFKEPQK-UHFFFAOYSA-N 0 2 372.380 2.009 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(OC)c1OC ZINC000768881027 680963169 /nfs/dbraw/zinc/96/31/69/680963169.db2.gz DNBSGEVRGNYJAU-UHFFFAOYSA-N 0 2 374.396 2.483 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)s1 ZINC000029433804 539852644 /nfs/dbraw/zinc/85/26/44/539852644.db2.gz BWIMNYZSVRAZQI-UHFFFAOYSA-N 0 2 357.413 2.170 20 5 FEBDLN O=C1CCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)c(F)cc2N1 ZINC000047328567 540303715 /nfs/dbraw/zinc/30/37/15/540303715.db2.gz FQIUPBBPNSGMSU-UHFFFAOYSA-N 0 2 365.342 2.419 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000055630733 540665715 /nfs/dbraw/zinc/66/57/15/540665715.db2.gz YXWGWXZOAWOWGI-ZDUSSCGKSA-N 0 2 366.399 2.080 20 5 FEBDLN O=C(NCCc1n[nH]c(=S)n1C1CC1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000067079267 541414599 /nfs/dbraw/zinc/41/45/99/541414599.db2.gz PBMJDCBXOFNCAM-UHFFFAOYSA-N 0 2 373.398 2.033 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000091054385 542792584 /nfs/dbraw/zinc/79/25/84/542792584.db2.gz JHAZWGQKGJTKJT-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1n[nH]c2c1CCCC2 ZINC000103201748 543097412 /nfs/dbraw/zinc/09/74/12/543097412.db2.gz LFUWZGNJLBQGAL-UHFFFAOYSA-N 0 2 353.342 2.234 20 5 FEBDLN Cc1n[nH]c(NC(=O)CCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 ZINC000103254764 543099801 /nfs/dbraw/zinc/09/98/01/543099801.db2.gz NLOIZGHFDGSUCT-UHFFFAOYSA-N 0 2 358.280 2.481 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000114558503 543523806 /nfs/dbraw/zinc/52/38/06/543523806.db2.gz JWKILWDAMRQMSB-CQSZACIVSA-N 0 2 355.350 2.226 20 5 FEBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@H]3CCCCO3)[nH]n2)c1 ZINC000153191665 544744791 /nfs/dbraw/zinc/74/47/91/544744791.db2.gz QASYWJKXFAJCJN-CYBMUJFWSA-N 0 2 366.399 2.296 20 5 FEBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@H]3CCCCO3)n[nH]2)c1 ZINC000153191665 544744794 /nfs/dbraw/zinc/74/47/94/544744794.db2.gz QASYWJKXFAJCJN-CYBMUJFWSA-N 0 2 366.399 2.296 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2c(nnc2-c2ccccc2)C1 ZINC000182067698 327759533 /nfs/dbraw/zinc/75/95/33/327759533.db2.gz JNQHILLSZQVQQW-UHFFFAOYSA-N 0 2 365.349 2.215 20 5 FEBDLN COc1ccc2c(c1)nc(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)n2C ZINC000187294464 328014174 /nfs/dbraw/zinc/01/41/74/328014174.db2.gz GOVPEIGBBHGYSQ-UHFFFAOYSA-N 0 2 356.338 2.126 20 5 FEBDLN O=C(CCc1nc(-c2ccncc2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545862 325418885 /nfs/dbraw/zinc/41/88/85/325418885.db2.gz WASOPZPKRPHPDP-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-n2ccnn2)c1 ZINC000130467951 326557426 /nfs/dbraw/zinc/55/74/26/326557426.db2.gz GTGWFGUOUBKRGQ-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CN1C(=O)C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000152598068 326711495 /nfs/dbraw/zinc/71/14/95/326711495.db2.gz HTXNOJYMWVYEJM-DYVFJYSZSA-N 0 2 373.340 2.141 20 5 FEBDLN CCc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3O)CC2)ncn1 ZINC000159427815 326931284 /nfs/dbraw/zinc/93/12/84/326931284.db2.gz WPBNNQLJJYKRMQ-UHFFFAOYSA-N 0 2 371.397 2.052 20 5 FEBDLN O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166152570 327080721 /nfs/dbraw/zinc/08/07/21/327080721.db2.gz KADMELDDFKWFPA-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN COc1ccc(N2C[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC2=O)cc1 ZINC000170554703 327089093 /nfs/dbraw/zinc/08/90/93/327089093.db2.gz QUHQCTHBKNROKX-LLVKDONJSA-N 0 2 371.349 2.301 20 5 FEBDLN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000267633913 329345121 /nfs/dbraw/zinc/34/51/21/329345121.db2.gz XFOVAZNKEDECTK-JTQLQIEISA-N 0 2 353.375 2.286 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(CC(C)C)s2)ccc1[N+](=O)[O-] ZINC000268482124 329424902 /nfs/dbraw/zinc/42/49/02/329424902.db2.gz YZUKOEZFPAZBRT-UHFFFAOYSA-N 0 2 372.428 2.454 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccco1 ZINC000272375221 329775340 /nfs/dbraw/zinc/77/53/40/329775340.db2.gz ICERBTUQIWFRAH-LBPRGKRZSA-N 0 2 360.322 2.007 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000157893761 545796834 /nfs/dbraw/zinc/79/68/34/545796834.db2.gz VEGWBSOTJWNELU-OAHLLOKOSA-N 0 2 373.340 2.317 20 5 FEBDLN CC(C)Oc1cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])ccn1 ZINC000158952931 545907908 /nfs/dbraw/zinc/90/79/08/545907908.db2.gz HNTWYIQUGHZJBI-UHFFFAOYSA-N 0 2 369.374 2.395 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c1[N+](=O)[O-] ZINC000479121460 561181859 /nfs/dbraw/zinc/18/18/59/561181859.db2.gz PQPKFNJSBICKDP-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN COc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cccc1[N+](=O)[O-] ZINC000480574553 561212201 /nfs/dbraw/zinc/21/22/01/561212201.db2.gz CSJSKMDDAVFQSQ-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179474051 546960388 /nfs/dbraw/zinc/96/03/88/546960388.db2.gz INLYMCLMVUHMTR-GFCCVEGCSA-N 0 2 357.370 2.316 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc([N+](=O)[O-])s1 ZINC000186669195 548170468 /nfs/dbraw/zinc/17/04/68/548170468.db2.gz CBSGLFZIMPKJML-UHFFFAOYSA-N 0 2 359.367 2.283 20 5 FEBDLN COC(=O)c1cccc2[nH]c(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)nc21 ZINC000494097678 561462336 /nfs/dbraw/zinc/46/23/36/561462336.db2.gz WSGDIIOKIHNQIE-UHFFFAOYSA-N 0 2 356.294 2.216 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000272399792 550444141 /nfs/dbraw/zinc/44/41/41/550444141.db2.gz MQXKFMQWVOKZSR-CRAIPNDOSA-N 0 2 372.377 2.265 20 5 FEBDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000272792527 550471203 /nfs/dbraw/zinc/47/12/03/550471203.db2.gz CSMDUVRCBSEABA-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000277379686 550663563 /nfs/dbraw/zinc/66/35/63/550663563.db2.gz CGNDJJAFBNFXDD-ZYHUDNBSSA-N 0 2 365.386 2.286 20 5 FEBDLN CCCCc1nnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000278128266 550752439 /nfs/dbraw/zinc/75/24/39/550752439.db2.gz BWFBZBWTNFHQGF-UHFFFAOYSA-N 0 2 356.360 2.130 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278456998 550788189 /nfs/dbraw/zinc/78/81/89/550788189.db2.gz YZVANTOXWAIRTD-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000278841960 550827980 /nfs/dbraw/zinc/82/79/80/550827980.db2.gz KYPQMFCAZBTOKR-CYBMUJFWSA-N 0 2 366.399 2.289 20 5 FEBDLN CN(C(=O)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)c1ccccc1 ZINC000281934197 551159531 /nfs/dbraw/zinc/15/95/31/551159531.db2.gz WEGRGFOQORTCEZ-CYBMUJFWSA-N 0 2 369.377 2.426 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291065523 552582797 /nfs/dbraw/zinc/58/27/97/552582797.db2.gz IEPQKWCSDXNDDI-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN CCOCCOc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1 ZINC000292500129 552732822 /nfs/dbraw/zinc/73/28/22/552732822.db2.gz JSLHAPIPAOWVQF-UHFFFAOYSA-N 0 2 367.383 2.206 20 5 FEBDLN Cc1nc(-c2cccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])c2)n[nH]1 ZINC000367533993 556075904 /nfs/dbraw/zinc/07/59/04/556075904.db2.gz QLVINYVBOFNPCK-UHFFFAOYSA-N 0 2 353.338 2.324 20 5 FEBDLN O=C(NCCc1cc(F)cc2c1OCOC2)c1ccc([N+](=O)[O-])c(O)c1 ZINC000515481212 562012227 /nfs/dbraw/zinc/01/22/27/562012227.db2.gz GOJWKSHDCBUJSY-UHFFFAOYSA-N 0 2 362.313 2.279 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(n2nnc3c2CCCC3)CC1 ZINC000369764292 556688532 /nfs/dbraw/zinc/68/85/32/556688532.db2.gz VNUFGTXFBYSGKV-UHFFFAOYSA-N 0 2 371.397 2.248 20 5 FEBDLN O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375650782 558062303 /nfs/dbraw/zinc/06/23/03/558062303.db2.gz FBNQVHJYNJJNFQ-GFCCVEGCSA-N 0 2 370.365 2.186 20 5 FEBDLN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000375873443 558091950 /nfs/dbraw/zinc/09/19/50/558091950.db2.gz NBZQNFVSOAFLRQ-KRWDZBQOSA-N 0 2 350.371 2.101 20 5 FEBDLN CN1C(=O)C[C@@H](CNC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000376073962 558123213 /nfs/dbraw/zinc/12/32/13/558123213.db2.gz IUDOXUMPJNYABH-UGSOOPFHSA-N 0 2 369.377 2.250 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000414391063 559160954 /nfs/dbraw/zinc/16/09/54/559160954.db2.gz ZMMTZEONRSTGTH-UHFFFAOYSA-N 0 2 357.319 2.409 20 5 FEBDLN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000436704703 559949469 /nfs/dbraw/zinc/94/94/69/559949469.db2.gz MLOCRUIXFXKFGZ-UHFFFAOYSA-N 0 2 360.326 2.298 20 5 FEBDLN O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436885279 559955288 /nfs/dbraw/zinc/95/52/88/559955288.db2.gz HERZQWZRRVWLNJ-UHFFFAOYSA-N 0 2 357.244 2.277 20 5 FEBDLN COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970861 559957981 /nfs/dbraw/zinc/95/79/81/559957981.db2.gz GEBWPMAVUJHMQE-INIZCTEOSA-N 0 2 356.334 2.213 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCn2c(nnc2C2CCCC2)C1 ZINC000437000485 559959146 /nfs/dbraw/zinc/95/91/46/559959146.db2.gz UIQGYLDPXLDUFN-UHFFFAOYSA-N 0 2 357.370 2.206 20 5 FEBDLN COC(=O)CCc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436999257 559959152 /nfs/dbraw/zinc/95/91/52/559959152.db2.gz QMGMRYUQHQWWFF-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN CCc1cnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])s1 ZINC000437334368 559963566 /nfs/dbraw/zinc/96/35/66/559963566.db2.gz RIPPAABIUKGXCM-UHFFFAOYSA-N 0 2 371.396 2.201 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1O ZINC000438778332 559983469 /nfs/dbraw/zinc/98/34/69/559983469.db2.gz ZHWBEESVBCRIPB-UHFFFAOYSA-N 0 2 366.351 2.181 20 5 FEBDLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442336160 560049306 /nfs/dbraw/zinc/04/93/06/560049306.db2.gz ORWGITZVSRWDQK-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c1 ZINC000446963380 560154339 /nfs/dbraw/zinc/15/43/39/560154339.db2.gz XNQMTHZLXSXYEN-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])ccc1Br ZINC000461111011 560761735 /nfs/dbraw/zinc/76/17/35/560761735.db2.gz XUCYWRFMHNKHCE-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN Cc1ccc2nc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH]c2c1 ZINC000466909140 560898948 /nfs/dbraw/zinc/89/89/48/560898948.db2.gz IJBZFGAHYPBJRA-UHFFFAOYSA-N 0 2 364.358 2.397 20 5 FEBDLN Cc1ccc2[nH]c(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])nc2c1 ZINC000466909140 560898949 /nfs/dbraw/zinc/89/89/49/560898949.db2.gz IJBZFGAHYPBJRA-UHFFFAOYSA-N 0 2 364.358 2.397 20 5 FEBDLN COCCOc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000466969554 560900615 /nfs/dbraw/zinc/90/06/15/560900615.db2.gz QDKAEAGQRBQNHR-UHFFFAOYSA-N 0 2 373.412 2.186 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1O ZINC000468367829 560928156 /nfs/dbraw/zinc/92/81/56/560928156.db2.gz LBTMDQIIHXHIEV-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN O=C(NCc1ccccc1Cn1cccn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469443102 560955335 /nfs/dbraw/zinc/95/53/35/560955335.db2.gz RLECQVUZPUAXKX-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469506316 560956682 /nfs/dbraw/zinc/95/66/82/560956682.db2.gz FTAGZVZQSGXBAS-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN CCn1cc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000617880468 568503627 /nfs/dbraw/zinc/50/36/27/568503627.db2.gz NLMUKOHQFWGZKB-AWEZNQCLSA-N 0 2 362.411 2.447 20 5 FEBDLN Cc1[nH+]c2n(c1C)CCN(c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C2 ZINC000738878118 599959487 /nfs/dbraw/zinc/95/94/87/599959487.db2.gz WIOWHERKDSKHKG-UHFFFAOYSA-N 0 2 361.314 2.035 20 5 FEBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000833193811 601800318 /nfs/dbraw/zinc/80/03/18/601800318.db2.gz LEGGBPZWXYUKAR-MRXNPFEDSA-N 0 2 352.350 2.483 20 5 FEBDLN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000833193811 601800319 /nfs/dbraw/zinc/80/03/19/601800319.db2.gz LEGGBPZWXYUKAR-MRXNPFEDSA-N 0 2 352.350 2.483 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823711545 603979761 /nfs/dbraw/zinc/97/97/61/603979761.db2.gz CXKUYULHUIZCJU-KYOSRNDESA-N 0 2 362.386 2.139 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823711545 603979766 /nfs/dbraw/zinc/97/97/66/603979766.db2.gz CXKUYULHUIZCJU-KYOSRNDESA-N 0 2 362.386 2.139 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830138195 603984428 /nfs/dbraw/zinc/98/44/28/603984428.db2.gz NLQNDCRKQHRBOJ-OCCSQVGLSA-N 0 2 362.386 2.058 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830138195 603984431 /nfs/dbraw/zinc/98/44/31/603984431.db2.gz NLQNDCRKQHRBOJ-OCCSQVGLSA-N 0 2 362.386 2.058 20 5 FEBDLN C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[C@@H](C)[NH+]1CCOCC1 ZINC000827767462 604263228 /nfs/dbraw/zinc/26/32/28/604263228.db2.gz APNJKVFRBWNMMJ-NXEZZACHSA-N 0 2 357.794 2.468 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(OC)n1 ZINC000609657657 675931063 /nfs/dbraw/zinc/93/10/63/675931063.db2.gz IPUSNBXMZKMTDO-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)[nH]c1C(=O)OC ZINC000609910284 675942676 /nfs/dbraw/zinc/94/26/76/675942676.db2.gz QOVSYFCLYFKKJG-UHFFFAOYSA-N 0 2 367.383 2.381 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(CO)ccc2C)c([N+](=O)[O-])c1 ZINC000610111364 675954496 /nfs/dbraw/zinc/95/44/96/675954496.db2.gz ZDHZCDYQVXBKFU-UHFFFAOYSA-N 0 2 352.368 2.205 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cs1 ZINC000120038397 671915033 /nfs/dbraw/zinc/91/50/33/671915033.db2.gz QTWVXBOAMYOYHM-UHFFFAOYSA-N 0 2 360.320 2.327 20 5 FEBDLN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120310351 671922672 /nfs/dbraw/zinc/92/26/72/671922672.db2.gz ATIXPRHSXUPTMP-OAQYLSRUSA-N 0 2 360.438 2.336 20 5 FEBDLN Cc1ccccc1[C@@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000611024674 676012386 /nfs/dbraw/zinc/01/23/86/676012386.db2.gz KHRHZTLSHOJMGX-CYBMUJFWSA-N 0 2 354.359 2.054 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000611294706 676030311 /nfs/dbraw/zinc/03/03/11/676030311.db2.gz UOIDMHHOPDOVKQ-JTQLQIEISA-N 0 2 364.379 2.446 20 5 FEBDLN O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590402502 672579276 /nfs/dbraw/zinc/57/92/76/672579276.db2.gz XTADKEOZQCBDCT-JTQLQIEISA-N 0 2 361.320 2.305 20 5 FEBDLN CCS(=O)(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000538873339 673463997 /nfs/dbraw/zinc/46/39/97/673463997.db2.gz OIHDNHIOEJGAGX-UHFFFAOYSA-N 0 2 350.352 2.346 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c(OC)n1 ZINC000742028480 673704323 /nfs/dbraw/zinc/70/43/23/673704323.db2.gz NSXDIWKGWOVJRG-UHFFFAOYSA-N 0 2 371.346 2.255 20 5 FEBDLN COc1cc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c([N+](=O)[O-])cc1F ZINC000600227195 673749886 /nfs/dbraw/zinc/74/98/86/673749886.db2.gz LWZXXIZIQXDCEN-UHFFFAOYSA-N 0 2 352.347 2.320 20 5 FEBDLN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000819970477 675328250 /nfs/dbraw/zinc/32/82/50/675328250.db2.gz LNNTVZJFYFQNHF-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(C)(C)C)o1 ZINC000619507697 676382749 /nfs/dbraw/zinc/38/27/49/676382749.db2.gz CQHSNNXTEVOXLN-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1noc(C(C)(C)C)n1 ZINC000619507630 676382761 /nfs/dbraw/zinc/38/27/61/676382761.db2.gz VNGKQNJGEJNQNC-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769870886 680998096 /nfs/dbraw/zinc/99/80/96/680998096.db2.gz WFMVWTORJDGITA-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1[N+](=O)[O-] ZINC000777670922 681520343 /nfs/dbraw/zinc/52/03/43/681520343.db2.gz PITVDERYWJFPMM-UHFFFAOYSA-N 0 2 370.318 2.108 20 5 FEBDLN CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000786889891 682416329 /nfs/dbraw/zinc/41/63/29/682416329.db2.gz NQOYPXHXIYXYMP-VIFPVBQESA-N 0 2 357.266 2.122 20 5 FEBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H](C)N1CC(F)(F)F ZINC000891287317 689045394 /nfs/dbraw/zinc/04/53/94/689045394.db2.gz PDGFPHNQESEIND-AOOOYVTPSA-N 0 2 361.320 2.398 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000065834038 541265682 /nfs/dbraw/zinc/26/56/82/541265682.db2.gz PHZHJUFQBSWRQV-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN CS(=O)(=O)Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000075290678 542166329 /nfs/dbraw/zinc/16/63/29/542166329.db2.gz MDCMYOWYYRCPSW-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000119046504 543663524 /nfs/dbraw/zinc/66/35/24/543663524.db2.gz KFLYMUPEJDHTAR-LLVKDONJSA-N 0 2 372.428 2.141 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000124952474 543853059 /nfs/dbraw/zinc/85/30/59/543853059.db2.gz CKWRACZLTISOHU-GFCCVEGCSA-N 0 2 357.370 2.247 20 5 FEBDLN O=C(NCc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000132443503 544231381 /nfs/dbraw/zinc/23/13/81/544231381.db2.gz BVSRNFVUKLDMPC-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179500720 327646780 /nfs/dbraw/zinc/64/67/80/327646780.db2.gz GGLVKQUJUHIAMH-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181991392 327756037 /nfs/dbraw/zinc/75/60/37/327756037.db2.gz GZPRLGWIDDFTHD-GFCCVEGCSA-N 0 2 359.386 2.493 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccnc2N(C)C)c1C ZINC000187733572 328042716 /nfs/dbraw/zinc/04/27/16/328042716.db2.gz XEACNTRKQFTCCK-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN Cc1ccc(CN2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000192292211 328311557 /nfs/dbraw/zinc/31/15/57/328311557.db2.gz RLXRJKDYULIYCJ-MRXNPFEDSA-N 0 2 369.377 2.140 20 5 FEBDLN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175149088 327376844 /nfs/dbraw/zinc/37/68/44/327376844.db2.gz QSCYPAPCPYCKAC-OAHLLOKOSA-N 0 2 369.377 2.394 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)ccc1[N+](=O)[O-] ZINC000178765030 327605479 /nfs/dbraw/zinc/60/54/79/327605479.db2.gz ZOWJRTFPMSBQRD-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000263667853 328950463 /nfs/dbraw/zinc/95/04/63/328950463.db2.gz IDUXUGIAKAEKBL-NSHDSACASA-N 0 2 365.386 2.287 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000274690634 329971361 /nfs/dbraw/zinc/97/13/61/329971361.db2.gz MIHVDYJQHVWGOG-GFCCVEGCSA-N 0 2 365.386 2.382 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C[C@@H]2O ZINC000274707660 329972759 /nfs/dbraw/zinc/97/27/59/329972759.db2.gz SJANZAWBWBMIPY-AWEZNQCLSA-N 0 2 374.349 2.007 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nncn3C)c2)c([N+](=O)[O-])c1 ZINC000158601792 545876250 /nfs/dbraw/zinc/87/62/50/545876250.db2.gz QAXZPAKFYBKVLL-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nncn3C)cc2)c([N+](=O)[O-])c1 ZINC000158606278 545876488 /nfs/dbraw/zinc/87/64/88/545876488.db2.gz AVJBEUZRNRKPQY-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(Nc1cccc(Cn2cccnc2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000483138513 561268560 /nfs/dbraw/zinc/26/85/60/561268560.db2.gz JZTONDWMTVLUJD-UHFFFAOYSA-N 0 2 366.333 2.158 20 5 FEBDLN O=C(Nc1ccccc1CN1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184679983 547865247 /nfs/dbraw/zinc/86/52/47/547865247.db2.gz SQTDNDBISWASFE-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185649723 548014767 /nfs/dbraw/zinc/01/47/67/548014767.db2.gz RZIRCDGKOWSPST-QFIPXVFZSA-N 0 2 354.409 2.274 20 5 FEBDLN NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000491062439 561442572 /nfs/dbraw/zinc/44/25/72/561442572.db2.gz WFVUZSMOGIDRGU-UHFFFAOYSA-N 0 2 355.759 2.148 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493278347 561455307 /nfs/dbraw/zinc/45/53/07/561455307.db2.gz DOOWTDIPVZLMGZ-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270915242 550320570 /nfs/dbraw/zinc/32/05/70/550320570.db2.gz BVGJAJRTKFJYSU-UHFFFAOYSA-N 0 2 366.761 2.148 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000278375438 550778753 /nfs/dbraw/zinc/77/87/53/550778753.db2.gz LCHMLTXITGFQPX-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cncc(N2CCCC2)n1 ZINC000278564738 550799576 /nfs/dbraw/zinc/79/95/76/550799576.db2.gz MXFWSTMAEPUVJP-UHFFFAOYSA-N 0 2 363.399 2.094 20 5 FEBDLN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259889 552892095 /nfs/dbraw/zinc/89/20/95/552892095.db2.gz SYMCXQLSVSVOSB-LJQANCHMSA-N 0 2 369.425 2.338 20 5 FEBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000295150993 552963598 /nfs/dbraw/zinc/96/35/98/552963598.db2.gz FFMREJDYDDGBEL-CQSZACIVSA-N 0 2 351.384 2.428 20 5 FEBDLN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000331908471 554344321 /nfs/dbraw/zinc/34/43/21/554344321.db2.gz ZSOXWMHYHNQMHE-OAHLLOKOSA-N 0 2 361.398 2.354 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1CCN(C(=O)c2ccccn2)CC1 ZINC000361997629 554942687 /nfs/dbraw/zinc/94/26/87/554942687.db2.gz OYQSBGMNRRVMDO-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN Cc1n[nH]c(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]23)n1 ZINC000363385293 555091751 /nfs/dbraw/zinc/09/17/51/555091751.db2.gz XGBVNXKSOWUCLW-DZGCQCFKSA-N 0 2 356.386 2.191 20 5 FEBDLN CCn1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c(-c2cnn(C)c2)n1 ZINC000365025145 555467381 /nfs/dbraw/zinc/46/73/81/555467381.db2.gz CVKUBIYQWDQIRA-UHFFFAOYSA-N 0 2 356.342 2.170 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000366797838 555936252 /nfs/dbraw/zinc/93/62/52/555936252.db2.gz DZZKQLLCGZDLKY-CQSZACIVSA-N 0 2 355.350 2.226 20 5 FEBDLN C[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000368610793 556361235 /nfs/dbraw/zinc/36/12/35/556361235.db2.gz BACNSSSTXWHLOQ-ABAIWWIYSA-N 0 2 355.350 2.224 20 5 FEBDLN Cc1nc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000369522348 556619564 /nfs/dbraw/zinc/61/95/64/556619564.db2.gz XUYZYZWSFHYOJT-AWEZNQCLSA-N 0 2 359.386 2.204 20 5 FEBDLN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000517021125 562071789 /nfs/dbraw/zinc/07/17/89/562071789.db2.gz JYSCMWCLDNJTKC-IUODEOHRSA-N 0 2 372.377 2.451 20 5 FEBDLN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000372397249 557460105 /nfs/dbraw/zinc/46/01/05/557460105.db2.gz SMSXGOQDTRUCRH-WCQYABFASA-N 0 2 374.353 2.163 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000374766005 557927758 /nfs/dbraw/zinc/92/77/58/557927758.db2.gz WDHCRTWRGDRXJL-UHFFFAOYSA-N 0 2 365.349 2.256 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000376323385 558157720 /nfs/dbraw/zinc/15/77/20/558157720.db2.gz VADKPUNXLNTFER-OAHLLOKOSA-N 0 2 373.409 2.165 20 5 FEBDLN CCS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000410242568 558748272 /nfs/dbraw/zinc/74/82/72/558748272.db2.gz VFDFTFYUOJAJJK-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN O=c1[nH]nc([C@H]2CCCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)[nH]1 ZINC000413303181 559097144 /nfs/dbraw/zinc/09/71/44/559097144.db2.gz YFQKEICHPNWGMG-ZETCQYMHSA-N 0 2 358.280 2.216 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1[N+](=O)[O-] ZINC000416959944 559340308 /nfs/dbraw/zinc/34/03/08/559340308.db2.gz NQBGXIQDHIDEQD-UHFFFAOYSA-N 0 2 367.339 2.048 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)c1C ZINC000424067957 559653640 /nfs/dbraw/zinc/65/36/40/559653640.db2.gz QSEMBSNMSYJUNQ-UHFFFAOYSA-N 0 2 368.415 2.430 20 5 FEBDLN O=C(CCCc1ccccc1)NCCNC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000424955983 559681218 /nfs/dbraw/zinc/68/12/18/559681218.db2.gz VJYCZNBISFIZQY-UHFFFAOYSA-N 0 2 371.393 2.169 20 5 FEBDLN COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000428563769 559778359 /nfs/dbraw/zinc/77/83/59/559778359.db2.gz CNOVBGSUZHGORK-QGZVFWFLSA-N 0 2 362.313 2.258 20 5 FEBDLN Cc1nc2ccc(NS(=O)(=O)c3c(Cl)cccc3[N+](=O)[O-])cn2n1 ZINC000430361268 559818469 /nfs/dbraw/zinc/81/84/69/559818469.db2.gz QQYBYDTVMAAMSB-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN CCS(=O)(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436496967 559943211 /nfs/dbraw/zinc/94/32/11/559943211.db2.gz ROSLSWLITAZAIH-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2 ZINC000436893102 559955489 /nfs/dbraw/zinc/95/54/89/559955489.db2.gz NQTHCKANUCAZHW-UHFFFAOYSA-N 0 2 356.334 2.286 20 5 FEBDLN NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436944812 559957137 /nfs/dbraw/zinc/95/71/37/559957137.db2.gz CPLGHDRLBKKLKV-UHFFFAOYSA-N 0 2 370.365 2.252 20 5 FEBDLN COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436961083 559957497 /nfs/dbraw/zinc/95/74/97/559957497.db2.gz ADRAWZAHCFGFMD-HNNXBMFYSA-N 0 2 356.334 2.041 20 5 FEBDLN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436961826 559957609 /nfs/dbraw/zinc/95/76/09/559957609.db2.gz VARXTBNFHMYNIV-UHFFFAOYSA-N 0 2 365.367 2.314 20 5 FEBDLN O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436974211 559958120 /nfs/dbraw/zinc/95/81/20/559958120.db2.gz XBZJHGRYRYGNCN-UKRRQHHQSA-N 0 2 366.320 2.268 20 5 FEBDLN CCOC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(O)c1 ZINC000436972837 559958128 /nfs/dbraw/zinc/95/81/28/559958128.db2.gz QGVFNJSQRKPAHN-HNNXBMFYSA-N 0 2 360.322 2.040 20 5 FEBDLN CS(=O)(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436994754 559959002 /nfs/dbraw/zinc/95/90/02/559959002.db2.gz FOYWFCOSYKJDNO-UHFFFAOYSA-N 0 2 364.379 2.140 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456658460 560527627 /nfs/dbraw/zinc/52/76/27/560527627.db2.gz RLJYRGXCTOGZIU-NEPJUHHUSA-N 0 2 369.377 2.397 20 5 FEBDLN Cc1cccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c1Br ZINC000461106683 560761506 /nfs/dbraw/zinc/76/15/06/560761506.db2.gz IWIQCDJXAZPUPS-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000463471031 560816249 /nfs/dbraw/zinc/81/62/49/560816249.db2.gz QAVAYCUWPXJRFU-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000466962340 560900510 /nfs/dbraw/zinc/90/05/10/560900510.db2.gz USAWJHVUSSUVMZ-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN COC(=O)[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccsc1 ZINC000468864791 560940882 /nfs/dbraw/zinc/94/08/82/560940882.db2.gz HBEJCQDVZYRTDA-GFCCVEGCSA-N 0 2 370.408 2.157 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c(OC)c1 ZINC000468974426 560943808 /nfs/dbraw/zinc/94/38/08/560943808.db2.gz NQYURAKZNSVHET-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COC(=O)c1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000469060214 560946157 /nfs/dbraw/zinc/94/61/57/560946157.db2.gz WSLWXBJACOMXMD-UHFFFAOYSA-N 0 2 374.305 2.126 20 5 FEBDLN COC(=O)c1csc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c1 ZINC000475831186 561106460 /nfs/dbraw/zinc/10/64/60/561106460.db2.gz LALUVTDXCRKLRM-UHFFFAOYSA-N 0 2 360.344 2.383 20 5 FEBDLN COc1ccc(C)nc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000476931578 561132297 /nfs/dbraw/zinc/13/22/97/561132297.db2.gz YAGUPPWHZJVFAO-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cn1 ZINC000541083535 562602645 /nfs/dbraw/zinc/60/26/45/562602645.db2.gz TUSHAZXEMKTIND-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CC(C)(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C(C)(C)C1 ZINC000541824557 562620600 /nfs/dbraw/zinc/62/06/00/562620600.db2.gz AARQOECLSYIGHP-UHFFFAOYSA-N 0 2 363.414 2.410 20 5 FEBDLN CCn1cc(S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000541826220 562620820 /nfs/dbraw/zinc/62/08/20/562620820.db2.gz UZSWIWJZEGOYLD-SECBINFHSA-N 0 2 358.342 2.067 20 5 FEBDLN Cc1cccn2cc(CCNC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)[nH+]c12 ZINC000832981778 601061224 /nfs/dbraw/zinc/06/12/24/601061224.db2.gz IUZOWJHNAQMWFB-UHFFFAOYSA-N 0 2 368.349 2.222 20 5 FEBDLN C[N@H+](CC(F)F)C1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737408450 601125477 /nfs/dbraw/zinc/12/54/77/601125477.db2.gz LWMNWSVVJJMXCV-UHFFFAOYSA-N 0 2 371.340 2.095 20 5 FEBDLN C[N@@H+](CC(F)F)C1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)CC1 ZINC000737408450 601125478 /nfs/dbraw/zinc/12/54/78/601125478.db2.gz LWMNWSVVJJMXCV-UHFFFAOYSA-N 0 2 371.340 2.095 20 5 FEBDLN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CCCN(C(=O)[O-])CC1 ZINC000739066080 602822275 /nfs/dbraw/zinc/82/22/75/602822275.db2.gz WPPDWOHTRBBBSY-NSHDSACASA-N 0 2 361.358 2.392 20 5 FEBDLN C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000739066080 602822278 /nfs/dbraw/zinc/82/22/78/602822278.db2.gz WPPDWOHTRBBBSY-NSHDSACASA-N 0 2 361.358 2.392 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)cc1 ZINC000564560604 675036588 /nfs/dbraw/zinc/03/65/88/675036588.db2.gz FBYLEKRNHPASKG-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN COC(=O)c1ccc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])o1 ZINC000566028756 675168485 /nfs/dbraw/zinc/16/84/85/675168485.db2.gz CMUNHWRJAVALMM-UHFFFAOYSA-N 0 2 374.758 2.106 20 5 FEBDLN CCC(CC)c1cc(CNS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])on1 ZINC000611108922 676018438 /nfs/dbraw/zinc/01/84/38/676018438.db2.gz VDLONGLJTNPJRH-UHFFFAOYSA-N 0 2 371.419 2.181 20 5 FEBDLN CC1(C(=O)[O-])CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592399071 672797597 /nfs/dbraw/zinc/79/75/97/672797597.db2.gz KZMCSCLXOUSKGP-UHFFFAOYSA-N 0 2 355.778 2.373 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485310 673089152 /nfs/dbraw/zinc/08/91/52/673089152.db2.gz ZSOHODIRYQIUJG-QWHCGFSZSA-N 0 2 357.407 2.029 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485310 673089158 /nfs/dbraw/zinc/08/91/58/673089158.db2.gz ZSOHODIRYQIUJG-QWHCGFSZSA-N 0 2 357.407 2.029 20 5 FEBDLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000543861191 673675199 /nfs/dbraw/zinc/67/51/99/673675199.db2.gz GOBOJUYXPHSTTQ-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000548450961 673959807 /nfs/dbraw/zinc/95/98/07/673959807.db2.gz UJFRUBOLUGKHAN-CHWSQXEVSA-N 0 2 352.412 2.427 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c(OC)n1 ZINC000617201125 676274716 /nfs/dbraw/zinc/27/47/16/676274716.db2.gz QJAGBXZFLWCGTH-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000619467993 676378237 /nfs/dbraw/zinc/37/82/37/676378237.db2.gz RABCWJBIOMILMI-UHFFFAOYSA-N 0 2 350.352 2.434 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c1F ZINC000754955274 680389899 /nfs/dbraw/zinc/38/98/99/680389899.db2.gz XHBYVKDTRQIYHJ-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN CN(Cc1csc(C(C)(C)O)n1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000837075297 680548325 /nfs/dbraw/zinc/54/83/25/680548325.db2.gz YZFQEDXEBDXNRW-UHFFFAOYSA-N 0 2 351.384 2.257 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cs1 ZINC000768862816 680962060 /nfs/dbraw/zinc/96/20/60/680962060.db2.gz YQCLFNQVQCPQKS-UHFFFAOYSA-N 0 2 374.347 2.413 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769867815 680997639 /nfs/dbraw/zinc/99/76/39/680997639.db2.gz ILOAGVSQSRQWRQ-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN O=C(COc1ccc([N+](=O)[O-])c(F)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000770856224 681029829 /nfs/dbraw/zinc/02/98/29/681029829.db2.gz KUTLMWJVCGVAEK-UHFFFAOYSA-N 0 2 351.246 2.365 20 5 FEBDLN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773636237 681151016 /nfs/dbraw/zinc/15/10/16/681151016.db2.gz FPDQEDOZXNZQDZ-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773636240 681151055 /nfs/dbraw/zinc/15/10/55/681151055.db2.gz FPDQEDOZXNZQDZ-SNVBAGLBSA-N 0 2 353.375 2.334 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000031555832 539910181 /nfs/dbraw/zinc/91/01/81/539910181.db2.gz KTGJFFUWBPJFSX-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cn1 ZINC000066580606 541340565 /nfs/dbraw/zinc/34/05/65/541340565.db2.gz IJKVWJDIHVXCTM-UHFFFAOYSA-N 0 2 362.314 2.213 20 5 FEBDLN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000066637428 541352566 /nfs/dbraw/zinc/35/25/66/541352566.db2.gz UWGXLAYZGRIPSA-NSHDSACASA-N 0 2 362.367 2.000 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000120882338 543685916 /nfs/dbraw/zinc/68/59/16/543685916.db2.gz YELQPTCQFAAINY-UHFFFAOYSA-N 0 2 366.333 2.158 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)ccc1F ZINC000137194917 544386692 /nfs/dbraw/zinc/38/66/92/544386692.db2.gz ZXTUDLAJMSXROR-UHFFFAOYSA-N 0 2 370.362 2.083 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000186490302 327964554 /nfs/dbraw/zinc/96/45/54/327964554.db2.gz IXBMQEGPMXTMPS-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1[N+](=O)[O-] ZINC000189293995 328139435 /nfs/dbraw/zinc/13/94/35/328139435.db2.gz MJMQYYOLLWDDOA-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(N(C)C)n2)cc1[N+](=O)[O-] ZINC000191916937 328288579 /nfs/dbraw/zinc/28/85/79/328288579.db2.gz BYCPOUNXXSXKJW-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)c1 ZINC000194621897 328432925 /nfs/dbraw/zinc/43/29/25/328432925.db2.gz CKVPASFJCCJRSI-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN O=C([O-])C1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000262221265 328852269 /nfs/dbraw/zinc/85/22/69/328852269.db2.gz UOZMAVAODLMGNG-UHFFFAOYSA-N 0 2 358.354 2.154 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000274690635 329971392 /nfs/dbraw/zinc/97/13/92/329971392.db2.gz MIHVDYJQHVWGOG-LBPRGKRZSA-N 0 2 365.386 2.382 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c(F)c1 ZINC000179221202 546916226 /nfs/dbraw/zinc/91/62/26/546916226.db2.gz UNQOUMDXDDCKAR-UHFFFAOYSA-N 0 2 354.291 2.324 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000179494575 546965384 /nfs/dbraw/zinc/96/53/84/546965384.db2.gz QNYCNHNCEVNYHF-OAHLLOKOSA-N 0 2 373.340 2.317 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 ZINC000181364150 547300898 /nfs/dbraw/zinc/30/08/98/547300898.db2.gz RSGWKVGWQJNSSV-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181991411 547418345 /nfs/dbraw/zinc/41/83/45/547418345.db2.gz GZPRLGWIDDFTHD-LBPRGKRZSA-N 0 2 359.386 2.493 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)c1C ZINC000484597051 561300908 /nfs/dbraw/zinc/30/09/08/561300908.db2.gz IACPYMJFKNARDI-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)[nH]1 ZINC000185000584 547915682 /nfs/dbraw/zinc/91/56/82/547915682.db2.gz WHUBSXHZWYIRMK-OAHLLOKOSA-N 0 2 353.338 2.246 20 5 FEBDLN Cc1nc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)n[nH]1 ZINC000185000584 547915688 /nfs/dbraw/zinc/91/56/88/547915688.db2.gz WHUBSXHZWYIRMK-OAHLLOKOSA-N 0 2 353.338 2.246 20 5 FEBDLN CCc1cc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)ncn1 ZINC000186118001 548087607 /nfs/dbraw/zinc/08/76/07/548087607.db2.gz DSKUJHLLFWXCKD-ZDUSSCGKSA-N 0 2 371.397 2.052 20 5 FEBDLN COc1ccc(-c2nc(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000195119548 548579871 /nfs/dbraw/zinc/57/98/71/548579871.db2.gz OPZMDRNVHMWCNM-UHFFFAOYSA-N 0 2 374.378 2.362 20 5 FEBDLN COc1ccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000490379413 561432089 /nfs/dbraw/zinc/43/20/89/561432089.db2.gz UAFWUMXKSRFTRL-UHFFFAOYSA-N 0 2 369.337 2.406 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280984209 551051964 /nfs/dbraw/zinc/05/19/64/551051964.db2.gz PVALRKVOBALIBV-LLVKDONJSA-N 0 2 365.386 2.287 20 5 FEBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000281897469 551154839 /nfs/dbraw/zinc/15/48/39/551154839.db2.gz FJZBMOKIPFZHPG-UHFFFAOYSA-N 0 2 354.388 2.145 20 5 FEBDLN CC(=O)NCc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000497946380 561512108 /nfs/dbraw/zinc/51/21/08/561512108.db2.gz NUOOIQQHHCMHOI-UHFFFAOYSA-N 0 2 363.395 2.340 20 5 FEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2n(n1)CCCC2 ZINC000285101566 551704652 /nfs/dbraw/zinc/70/46/52/551704652.db2.gz NXNFMALGMGLHLI-UHFFFAOYSA-N 0 2 354.363 2.376 20 5 FEBDLN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000285556453 551774547 /nfs/dbraw/zinc/77/45/47/551774547.db2.gz UDQXXBZXPBIHDI-BBRMVZONSA-N 0 2 360.370 2.338 20 5 FEBDLN COC(=O)CCCONC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000290574256 552500826 /nfs/dbraw/zinc/50/08/26/552500826.db2.gz JASWSXUPAQXMIM-UHFFFAOYSA-N 0 2 368.389 2.156 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000292864226 552766404 /nfs/dbraw/zinc/76/64/04/552766404.db2.gz DHIPUBJJASAPSM-JQWIXIFHSA-N 0 2 365.386 2.428 20 5 FEBDLN O=C(NCc1cccc(N2CCOCC2)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000293716952 552849934 /nfs/dbraw/zinc/84/99/34/552849934.db2.gz GDRXOSHRWVFPEC-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000293752136 552852878 /nfs/dbraw/zinc/85/28/78/552852878.db2.gz SNVSUMJSEDDGCO-RYUDHWBXSA-N 0 2 363.414 2.408 20 5 FEBDLN O=C(NCc1cccc(N2CCOCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293764556 552854133 /nfs/dbraw/zinc/85/41/33/552854133.db2.gz MDGVUVUWTWYUSR-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN Cc1nn(CC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)cc1[N+](=O)[O-] ZINC000295125474 552961297 /nfs/dbraw/zinc/96/12/97/552961297.db2.gz BPULDPYTTGTEFO-UHFFFAOYSA-N 0 2 362.308 2.050 20 5 FEBDLN O=C(NCc1ccccc1CN1CCCC1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000504874241 561663466 /nfs/dbraw/zinc/66/34/66/561663466.db2.gz DYAHMRHQHOAFGM-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN CNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509667931 561809751 /nfs/dbraw/zinc/80/97/51/561809751.db2.gz RPEISOWVTUYIPE-UHFFFAOYSA-N 0 2 364.383 2.455 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c([N+](=O)[O-])c1 ZINC000509537184 561804274 /nfs/dbraw/zinc/80/42/74/561804274.db2.gz JMCRZTYAMWFCHL-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509605906 561807052 /nfs/dbraw/zinc/80/70/52/561807052.db2.gz XYJQJJVBRIFVIF-UHFFFAOYSA-N 0 2 364.379 2.420 20 5 FEBDLN COCCOc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cn1 ZINC000350646340 554803648 /nfs/dbraw/zinc/80/36/48/554803648.db2.gz OCSLCDGPNGQGCS-UHFFFAOYSA-N 0 2 358.310 2.438 20 5 FEBDLN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000363618750 555148864 /nfs/dbraw/zinc/14/88/64/555148864.db2.gz ZMTQGDBOCRILHG-TZMCWYRMSA-N 0 2 358.423 2.305 20 5 FEBDLN Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n[nH]1 ZINC000364319322 555290261 /nfs/dbraw/zinc/29/02/61/555290261.db2.gz NYRVAUNKXBUZIH-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000366750641 555924648 /nfs/dbraw/zinc/92/46/48/555924648.db2.gz XKGLNZIHYZSRHJ-KGLIPLIRSA-N 0 2 361.398 2.211 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC2CCOCC2)CC1 ZINC000367901895 556168607 /nfs/dbraw/zinc/16/86/07/556168607.db2.gz HWUMELXYQAQGKC-UHFFFAOYSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000370467298 556881338 /nfs/dbraw/zinc/88/13/38/556881338.db2.gz FTYKTWRTQPOSBB-AWEZNQCLSA-N 0 2 373.340 2.365 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000372744337 557552332 /nfs/dbraw/zinc/55/23/32/557552332.db2.gz TZHLIJHSFYHRAB-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000374054804 557814932 /nfs/dbraw/zinc/81/49/32/557814932.db2.gz YDBDFYCIVFKRRI-CYBMUJFWSA-N 0 2 373.340 2.365 20 5 FEBDLN Nc1ncnc2sc3c(c21)CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C3 ZINC000375996727 558111530 /nfs/dbraw/zinc/11/15/30/558111530.db2.gz AUKKEAXYVAGPSZ-UHFFFAOYSA-N 0 2 371.378 2.086 20 5 FEBDLN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376020196 558115081 /nfs/dbraw/zinc/11/50/81/558115081.db2.gz UMPICTPTSILMIH-GJZGRUSLSA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(NCc1noc(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376551456 558189387 /nfs/dbraw/zinc/18/93/87/558189387.db2.gz ADCJPKQRTJCCRR-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cnn1C ZINC000414370313 559159043 /nfs/dbraw/zinc/15/90/43/559159043.db2.gz GRVWQRCXMQRZRS-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccnc2N(C)C)c(C)cc1[N+](=O)[O-] ZINC000414452310 559164761 /nfs/dbraw/zinc/16/47/61/559164761.db2.gz KROSKHFYSVMIHG-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000425164220 559689244 /nfs/dbraw/zinc/68/92/44/559689244.db2.gz SLHYGFDGLQUNOG-OAHLLOKOSA-N 0 2 369.377 2.004 20 5 FEBDLN COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000428563767 559778458 /nfs/dbraw/zinc/77/84/58/559778458.db2.gz CNOVBGSUZHGORK-KRWDZBQOSA-N 0 2 362.313 2.258 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC2COC2)cc1 ZINC000436174232 559936731 /nfs/dbraw/zinc/93/67/31/559936731.db2.gz URWYDVLOQLPLQA-UHFFFAOYSA-N 0 2 350.352 2.173 20 5 FEBDLN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639763 559947349 /nfs/dbraw/zinc/94/73/49/559947349.db2.gz RDZQPJZFBJDHSL-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000436958092 559957426 /nfs/dbraw/zinc/95/74/26/559957426.db2.gz DHPQBJXUTPOGFW-AWEZNQCLSA-N 0 2 373.340 2.365 20 5 FEBDLN COc1cc(OC)cc(OCCNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436965530 559957717 /nfs/dbraw/zinc/95/77/17/559957717.db2.gz KLNKJWPPQRZTQA-UHFFFAOYSA-N 0 2 362.338 2.126 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1F ZINC000436974798 559958042 /nfs/dbraw/zinc/95/80/42/559958042.db2.gz BXSDECUKUSODCF-UHFFFAOYSA-N 0 2 368.342 2.236 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc([N+](=O)[O-])c1 ZINC000438711741 559982496 /nfs/dbraw/zinc/98/24/96/559982496.db2.gz ANOJAMOCGSXOAY-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn2c(n1)CCCC2 ZINC000443321054 560079702 /nfs/dbraw/zinc/07/97/02/560079702.db2.gz MHDPIVRRILPQKI-UHFFFAOYSA-N 0 2 353.342 2.165 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 ZINC000444061874 560100523 /nfs/dbraw/zinc/10/05/23/560100523.db2.gz FRNNYEFRWRYXPT-UHFFFAOYSA-N 0 2 366.311 2.047 20 5 FEBDLN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000446439496 560145932 /nfs/dbraw/zinc/14/59/32/560145932.db2.gz SBMAMBRHGZYMNG-KRWDZBQOSA-N 0 2 350.371 2.352 20 5 FEBDLN CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000447538823 560164128 /nfs/dbraw/zinc/16/41/28/560164128.db2.gz DKDWOOPXVOKSDX-LLVKDONJSA-N 0 2 358.416 2.480 20 5 FEBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000456676596 560528461 /nfs/dbraw/zinc/52/84/61/560528461.db2.gz YNPBQOHYBFRSST-NEPJUHHUSA-N 0 2 369.377 2.397 20 5 FEBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000456676600 560528505 /nfs/dbraw/zinc/52/85/05/560528505.db2.gz YNPBQOHYBFRSST-RYUDHWBXSA-N 0 2 369.377 2.397 20 5 FEBDLN CC(C)OCc1nc([C@H](C)NC(=O)c2cc(O)ccc2[N+](=O)[O-])no1 ZINC000461393179 560769486 /nfs/dbraw/zinc/76/94/86/560769486.db2.gz ZPCFPYMMDMMYEW-VIFPVBQESA-N 0 2 350.331 2.099 20 5 FEBDLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000463468452 560816205 /nfs/dbraw/zinc/81/62/05/560816205.db2.gz FIQQFZDPKFQVEA-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2nc3cccnc3n2C)c1 ZINC000467015501 560901424 /nfs/dbraw/zinc/90/14/24/560901424.db2.gz RNLWHYGJTOUGKY-UHFFFAOYSA-N 0 2 361.383 2.294 20 5 FEBDLN Cn1nc2c(c1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])CCC2 ZINC000534170944 562526975 /nfs/dbraw/zinc/52/69/75/562526975.db2.gz HIDGBIVTCXMVPU-UHFFFAOYSA-N 0 2 356.791 2.271 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000739586845 601980407 /nfs/dbraw/zinc/98/04/07/601980407.db2.gz JTKJBPQYUREMAR-ZDUSSCGKSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000739586845 601980408 /nfs/dbraw/zinc/98/04/08/601980408.db2.gz JTKJBPQYUREMAR-ZDUSSCGKSA-N 0 2 361.358 2.219 20 5 FEBDLN O=C([O-])N1CCCC[C@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740716238 603146262 /nfs/dbraw/zinc/14/62/62/603146262.db2.gz GCSCVSDQXOZMBN-ZDUSSCGKSA-N 0 2 374.353 2.470 20 5 FEBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823724203 603986187 /nfs/dbraw/zinc/98/61/87/603986187.db2.gz OIQWIUJXWFRRFD-UPJWGTAASA-N 0 2 362.386 2.139 20 5 FEBDLN C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823724203 603986190 /nfs/dbraw/zinc/98/61/90/603986190.db2.gz OIQWIUJXWFRRFD-UPJWGTAASA-N 0 2 362.386 2.139 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c1F ZINC000126183038 672021249 /nfs/dbraw/zinc/02/12/49/672021249.db2.gz XTFMRKGEXPPTAP-UHFFFAOYSA-N 0 2 370.318 2.334 20 5 FEBDLN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593750908 672987431 /nfs/dbraw/zinc/98/74/31/672987431.db2.gz CJNZMARXROJVRN-CYBMUJFWSA-N 0 2 358.276 2.310 20 5 FEBDLN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000593750908 672987433 /nfs/dbraw/zinc/98/74/33/672987433.db2.gz CJNZMARXROJVRN-CYBMUJFWSA-N 0 2 358.276 2.310 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000600667155 673789511 /nfs/dbraw/zinc/78/95/11/673789511.db2.gz AYACROLSPMAFOG-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)CCOCC2CC2)c2cnccc21 ZINC000600668146 673789729 /nfs/dbraw/zinc/78/97/29/673789729.db2.gz SMIGFOLNMYEPHV-UHFFFAOYSA-N 0 2 351.384 2.311 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2c(c1)OCCO2 ZINC000619466206 676377920 /nfs/dbraw/zinc/37/79/20/676377920.db2.gz KFPYFZZPVSIENE-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000760341884 680683603 /nfs/dbraw/zinc/68/36/03/680683603.db2.gz ASRRYRBPMZQUPO-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCCc1n[nH]c(=S)o1 ZINC000841426610 680880705 /nfs/dbraw/zinc/88/07/05/680880705.db2.gz JYTIDCSKRPCLJS-UHFFFAOYSA-N 0 2 372.790 2.048 20 5 FEBDLN O=C(OCCCNC(=O)C(F)(F)F)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000774988565 681262980 /nfs/dbraw/zinc/26/29/80/681262980.db2.gz MNTJDCWDIUZAQA-UHFFFAOYSA-N 0 2 354.668 2.474 20 5 FEBDLN CC1=NC(=S)N[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C1C(=O)OCC(C)C ZINC000916191179 685522487 /nfs/dbraw/zinc/52/24/87/685522487.db2.gz RMLRSVCFXWYCOL-AWEZNQCLSA-N 0 2 365.411 2.292 20 5 FEBDLN COCCOCc1cc(=O)n(-c2cc([N+](=O)[O-])ccc2Br)[nH]1 ZINC000905020817 691057876 /nfs/dbraw/zinc/05/78/76/691057876.db2.gz YEKAFDFUXFTRMR-UHFFFAOYSA-N 0 2 372.175 2.113 20 5 FEBDLN COc1cc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(OC)c1OC ZINC000009888410 539508540 /nfs/dbraw/zinc/50/85/40/539508540.db2.gz RQGHSERFANCPFG-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000055685502 540670859 /nfs/dbraw/zinc/67/08/59/540670859.db2.gz YLSJIQRTPPICRW-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000022321875 220383065 /nfs/dbraw/zinc/38/30/65/220383065.db2.gz ITZSKMRCVXBZOX-UHFFFAOYSA-N 0 2 374.378 2.174 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000092864870 542892232 /nfs/dbraw/zinc/89/22/32/542892232.db2.gz IYLXFHIGGBSFCW-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c([N+](=O)[O-])c1 ZINC000092864881 542892400 /nfs/dbraw/zinc/89/24/00/542892400.db2.gz KYFMJIDLSPUCMU-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN CCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)c1C ZINC000093930846 542946386 /nfs/dbraw/zinc/94/63/86/542946386.db2.gz IOLXVKZOYLBMMH-UHFFFAOYSA-N 0 2 368.415 2.375 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 ZINC000151589954 544560407 /nfs/dbraw/zinc/56/04/07/544560407.db2.gz VTTLSRPBYXMJBL-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000151589954 544560410 /nfs/dbraw/zinc/56/04/10/544560410.db2.gz VTTLSRPBYXMJBL-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000552430992 674209255 /nfs/dbraw/zinc/20/92/55/674209255.db2.gz OGLLIRJJOMNJOB-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179453311 327644160 /nfs/dbraw/zinc/64/41/60/327644160.db2.gz MGKTVAZZKDPWGI-CHWSQXEVSA-N 0 2 363.414 2.457 20 5 FEBDLN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000179453320 327644250 /nfs/dbraw/zinc/64/42/50/327644250.db2.gz MGKTVAZZKDPWGI-OLZOCXBDSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000183917146 327842198 /nfs/dbraw/zinc/84/21/98/327842198.db2.gz OESKPNIEXZYMFN-CYBMUJFWSA-N 0 2 355.350 2.288 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cccnc1N(C)C ZINC000187731733 328042684 /nfs/dbraw/zinc/04/26/84/328042684.db2.gz GMVFXRUVIGLEDK-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000187971731 328057556 /nfs/dbraw/zinc/05/75/56/328057556.db2.gz VMMKYNBUDVUCED-SNVBAGLBSA-N 0 2 354.388 2.108 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000187953551 328055978 /nfs/dbraw/zinc/05/59/78/328055978.db2.gz ZGDUGSKWIYGARA-NSHDSACASA-N 0 2 354.388 2.108 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(C)c1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000188138693 328068851 /nfs/dbraw/zinc/06/88/51/328068851.db2.gz QFLUNCNBWVYPLS-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000189167873 328132863 /nfs/dbraw/zinc/13/28/63/328132863.db2.gz NLWUIHPIYGSUDF-CABZTGNLSA-N 0 2 361.320 2.475 20 5 FEBDLN Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000192289817 328311191 /nfs/dbraw/zinc/31/11/91/328311191.db2.gz RUSMJXFBTZGOQR-INIZCTEOSA-N 0 2 369.377 2.140 20 5 FEBDLN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)cn2)n1 ZINC000120242664 326243375 /nfs/dbraw/zinc/24/33/75/326243375.db2.gz HSRZDAXDCAXDEE-UHFFFAOYSA-N 0 2 367.365 2.428 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000172192851 327186327 /nfs/dbraw/zinc/18/63/27/327186327.db2.gz PJVKPLJTSJIMDQ-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172316017 327195197 /nfs/dbraw/zinc/19/51/97/327195197.db2.gz HMEHQLQBLNEQCQ-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000172370280 327198265 /nfs/dbraw/zinc/19/82/65/327198265.db2.gz USWPWVSRLNRYGY-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN CC(C)c1cc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nn1C ZINC000175343466 327388192 /nfs/dbraw/zinc/38/81/92/327388192.db2.gz TVBJXSAOYCUJLZ-UHFFFAOYSA-N 0 2 355.358 2.489 20 5 FEBDLN CN(C)C(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000176692772 327470422 /nfs/dbraw/zinc/47/04/22/327470422.db2.gz WUHYPSDKLWXZMJ-UHFFFAOYSA-N 0 2 367.358 2.237 20 5 FEBDLN CN1CCOc2ccc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc21 ZINC000178197750 327571545 /nfs/dbraw/zinc/57/15/45/327571545.db2.gz VQXLDCVOZMGKEB-UHFFFAOYSA-N 0 2 367.358 2.363 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 ZINC000272082898 329750622 /nfs/dbraw/zinc/75/06/22/329750622.db2.gz GJFYBSHCGDPCKZ-UHFFFAOYSA-N 0 2 372.378 2.076 20 5 FEBDLN CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000272473656 329784180 /nfs/dbraw/zinc/78/41/80/329784180.db2.gz ZPIWMFVAUOCOTG-ZDUSSCGKSA-N 0 2 359.386 2.499 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000275131119 330013726 /nfs/dbraw/zinc/01/37/26/330013726.db2.gz OPIFBARRCYNACC-GFCCVEGCSA-N 0 2 362.386 2.167 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000478586180 561170292 /nfs/dbraw/zinc/17/02/92/561170292.db2.gz ZETKFLFQHBSURF-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC000160487212 546045334 /nfs/dbraw/zinc/04/53/34/546045334.db2.gz DKERJRHUUPUWSU-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164361319 546149749 /nfs/dbraw/zinc/14/97/49/546149749.db2.gz XWYPMIGBOWCLKH-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CO)(c2ccccc2)CC1 ZINC000480272051 561206086 /nfs/dbraw/zinc/20/60/86/561206086.db2.gz VRMVRKYDWKXIOL-UHFFFAOYSA-N 0 2 356.378 2.467 20 5 FEBDLN CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000483439419 561277249 /nfs/dbraw/zinc/27/72/49/561277249.db2.gz DSGKPIBRTXGXCZ-UHFFFAOYSA-N 0 2 364.379 2.275 20 5 FEBDLN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000184608016 547853660 /nfs/dbraw/zinc/85/36/60/547853660.db2.gz PRHYAHQAZGBLEE-QGZVFWFLSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000269189147 550165279 /nfs/dbraw/zinc/16/52/79/550165279.db2.gz WGVMUJYVMSUPGE-WBVHZDCISA-N 0 2 372.377 2.265 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000272518388 550455136 /nfs/dbraw/zinc/45/51/36/550455136.db2.gz XEHUGZZVOXPKIL-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000274848636 550559334 /nfs/dbraw/zinc/55/93/34/550559334.db2.gz ALKOUEAOOREBDA-CYBMUJFWSA-N 0 2 370.365 2.186 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)ccc1[N+](=O)[O-] ZINC000278313757 550772002 /nfs/dbraw/zinc/77/20/02/550772002.db2.gz FKFCYJRRTFUHBC-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN CCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000281496643 551105187 /nfs/dbraw/zinc/10/51/87/551105187.db2.gz VQJMZDITTDJENG-UHFFFAOYSA-N 0 2 363.292 2.389 20 5 FEBDLN COCCc1ccnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000284963481 551678201 /nfs/dbraw/zinc/67/82/01/551678201.db2.gz CJDSMKDHODXVFT-UHFFFAOYSA-N 0 2 351.384 2.288 20 5 FEBDLN COCCc1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000285149253 551711369 /nfs/dbraw/zinc/71/13/69/551711369.db2.gz RIKQWMMTXAXXCO-UHFFFAOYSA-N 0 2 351.384 2.288 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000288841767 552222876 /nfs/dbraw/zinc/22/28/76/552222876.db2.gz DFSZKHFXSFYGJK-UHFFFAOYSA-N 0 2 352.416 2.154 20 5 FEBDLN COC[C@]1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])OCCc2ccccc21 ZINC000292875394 552767678 /nfs/dbraw/zinc/76/76/78/552767678.db2.gz ZVAQBHNMHRIJMT-IBGZPJMESA-N 0 2 372.377 2.145 20 5 FEBDLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000293653168 552844280 /nfs/dbraw/zinc/84/42/80/552844280.db2.gz IJVQSIRSLJOOOE-VXGBXAGGSA-N 0 2 363.414 2.408 20 5 FEBDLN O=C(Nc1nnc(C2CCOCC2)s1)c1cccc(O)c1[N+](=O)[O-] ZINC000294330903 552897779 /nfs/dbraw/zinc/89/77/79/552897779.db2.gz PVHDADACYIOHTI-UHFFFAOYSA-N 0 2 350.356 2.298 20 5 FEBDLN COCCCn1cc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)n1 ZINC000296846569 553219678 /nfs/dbraw/zinc/21/96/78/553219678.db2.gz XSFJZOGLBDNQKH-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298940586 553492649 /nfs/dbraw/zinc/49/26/49/553492649.db2.gz IOJDFBRSKWILDM-UHFFFAOYSA-N 0 2 365.386 2.383 20 5 FEBDLN CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1 ZINC000299497338 553571841 /nfs/dbraw/zinc/57/18/41/553571841.db2.gz PGCBTGXEEIQEKT-ZDUSSCGKSA-N 0 2 351.384 2.045 20 5 FEBDLN CC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)C1C(=O)OC(C)C ZINC000299497338 553571843 /nfs/dbraw/zinc/57/18/43/553571843.db2.gz PGCBTGXEEIQEKT-ZDUSSCGKSA-N 0 2 351.384 2.045 20 5 FEBDLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505223188 561668235 /nfs/dbraw/zinc/66/82/35/561668235.db2.gz IRPINQGIYJZWDJ-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN C[C@H](Sc1n[n-]c(=[NH2+])n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000603496819 553795295 /nfs/dbraw/zinc/79/52/95/553795295.db2.gz GZGBTBPZSMWWOY-LURJTMIESA-N 0 2 356.795 2.078 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCCCO)cc2)c([N+](=O)[O-])c1 ZINC000507585346 561734109 /nfs/dbraw/zinc/73/41/09/561734109.db2.gz RCTKVZGCPAZRNA-UHFFFAOYSA-N 0 2 366.395 2.465 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCCCO)cc1 ZINC000507642083 561736515 /nfs/dbraw/zinc/73/65/15/561736515.db2.gz AMVPLHQOZJTTDK-UHFFFAOYSA-N 0 2 352.368 2.157 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508081306 561750528 /nfs/dbraw/zinc/75/05/28/561750528.db2.gz BYFZUJAUWXIAFQ-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000509601342 561807046 /nfs/dbraw/zinc/80/70/46/561807046.db2.gz KYJBGJBRSZWPQE-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN NC(=O)c1cc(-c2csc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])n2)c[nH]1 ZINC000511476574 561870352 /nfs/dbraw/zinc/87/03/52/561870352.db2.gz IGINBTZSLWUBQV-UHFFFAOYSA-N 0 2 373.350 2.103 20 5 FEBDLN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@H]1C[C@H]1[N+](=O)[O-] ZINC000363618749 555148739 /nfs/dbraw/zinc/14/87/39/555148739.db2.gz ZMTQGDBOCRILHG-GXTWGEPZSA-N 0 2 358.423 2.305 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)ccc1[N+](=O)[O-] ZINC000365278999 555530598 /nfs/dbraw/zinc/53/05/98/555530598.db2.gz NZIIHIXEIQMMBL-ZDUSSCGKSA-N 0 2 366.399 2.080 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000367632554 556101533 /nfs/dbraw/zinc/10/15/33/556101533.db2.gz DUFLHPXRFBKYGD-LRDDRELGSA-N 0 2 369.377 2.220 20 5 FEBDLN O=C(c1cc(F)c(F)c(O)c1F)N1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422835 556305000 /nfs/dbraw/zinc/30/50/00/556305000.db2.gz SQQAFTKBXCIPQV-MRVPVSSYSA-N 0 2 370.287 2.392 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)cc1F ZINC000368654514 556375356 /nfs/dbraw/zinc/37/53/56/556375356.db2.gz ZQTWQCDILXLAEE-CQSZACIVSA-N 0 2 368.342 2.351 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000371213061 557109033 /nfs/dbraw/zinc/10/90/33/557109033.db2.gz QBJCGJMWHKRYCP-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc3c2CNC3=O)c1[N+](=O)[O-] ZINC000520876671 562165565 /nfs/dbraw/zinc/16/55/65/562165565.db2.gz NMHAYPRYYHTFBR-UHFFFAOYSA-N 0 2 361.379 2.256 20 5 FEBDLN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376294107 558153657 /nfs/dbraw/zinc/15/36/57/558153657.db2.gz QTRKRFZTSPFNPA-RISCZKNCSA-N 0 2 374.353 2.211 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1[N+](=O)[O-] ZINC000522001276 562188704 /nfs/dbraw/zinc/18/87/04/562188704.db2.gz GZGSJWANZDNOFX-UHFFFAOYSA-N 0 2 360.342 2.420 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCn2c(nnc2-c2ccccc2)C1 ZINC000377824801 558427329 /nfs/dbraw/zinc/42/73/29/558427329.db2.gz WJXLVKZUJKJSIV-UHFFFAOYSA-N 0 2 365.349 2.215 20 5 FEBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(C)cnc1N ZINC000410402977 558755301 /nfs/dbraw/zinc/75/53/01/558755301.db2.gz KDTOLKZXJHBQOJ-UHFFFAOYSA-N 0 2 352.372 2.080 20 5 FEBDLN C[C@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000412323001 559027832 /nfs/dbraw/zinc/02/78/32/559027832.db2.gz GTSOUDRSYWJFFB-UWVGGRQHSA-N 0 2 363.349 2.067 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414381864 559160011 /nfs/dbraw/zinc/16/00/11/559160011.db2.gz NLQAPFUXKUELQI-GFCCVEGCSA-N 0 2 368.415 2.416 20 5 FEBDLN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000425112580 559687762 /nfs/dbraw/zinc/68/77/62/559687762.db2.gz PMLJSYHPPCLZMO-MRXNPFEDSA-N 0 2 369.377 2.004 20 5 FEBDLN CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000425155767 559688747 /nfs/dbraw/zinc/68/87/47/559688747.db2.gz CXEBLSNYORUGMZ-MRXNPFEDSA-N 0 2 369.377 2.004 20 5 FEBDLN O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000430114693 559813480 /nfs/dbraw/zinc/81/34/80/559813480.db2.gz DOAYPZGQYZTPJL-KSSFIOAISA-N 0 2 360.341 2.336 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)c([N+](=O)[O-])c1 ZINC000432642779 559862341 /nfs/dbraw/zinc/86/23/41/559862341.db2.gz NGEXYJCJHKRKDZ-UHFFFAOYSA-N 0 2 361.379 2.223 20 5 FEBDLN C[C@@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC(=O)N1Cc1ccccc1 ZINC000436782215 559951799 /nfs/dbraw/zinc/95/17/99/559951799.db2.gz MPNPHZIASWBKSL-MLGOLLRUSA-N 0 2 369.377 2.220 20 5 FEBDLN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3O)n2)c1 ZINC000436824769 559953174 /nfs/dbraw/zinc/95/31/74/559953174.db2.gz COUUMICNJVRACI-SNVBAGLBSA-N 0 2 368.353 2.280 20 5 FEBDLN CCOC(=O)Cc1csc(NC(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436867187 559954977 /nfs/dbraw/zinc/95/49/77/559954977.db2.gz BDKVJKUYTBPRJH-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436938118 559956999 /nfs/dbraw/zinc/95/69/99/559956999.db2.gz KFSGVMSUPIVJFT-LLVKDONJSA-N 0 2 374.349 2.343 20 5 FEBDLN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000436959703 559957466 /nfs/dbraw/zinc/95/74/66/559957466.db2.gz NOBASSBVUPXZCM-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN CS(=O)(=O)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436960302 559957472 /nfs/dbraw/zinc/95/74/72/559957472.db2.gz GTWITXLZWGCVNH-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436959052 559957539 /nfs/dbraw/zinc/95/75/39/559957539.db2.gz LLAMQSLCQFDKHZ-UHFFFAOYSA-N 0 2 358.276 2.331 20 5 FEBDLN Cc1cc(=NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)[nH]nc1C ZINC000445806770 560135258 /nfs/dbraw/zinc/13/52/58/560135258.db2.gz ZPMVKUJDGKFAPZ-UHFFFAOYSA-N 0 2 365.187 2.945 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452472517 560365691 /nfs/dbraw/zinc/36/56/91/560365691.db2.gz DZQJNNQEVZRATR-CRAIPNDOSA-N 0 2 360.341 2.241 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000474428849 561073875 /nfs/dbraw/zinc/07/38/75/561073875.db2.gz TUCNIXGXHNYFED-UHFFFAOYSA-N 0 2 354.388 2.326 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1S(C)(=O)=O ZINC000476230406 561113994 /nfs/dbraw/zinc/11/39/94/561113994.db2.gz KUMOHMCGMNLDHW-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000534206666 562527580 /nfs/dbraw/zinc/52/75/80/562527580.db2.gz HTJXHKJEWNUIMP-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN COc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)ccc1[N+](=O)[O-] ZINC000535170556 562552521 /nfs/dbraw/zinc/55/25/21/562552521.db2.gz BGVMLPDJPPAROC-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1COC2=O ZINC000808127588 674443332 /nfs/dbraw/zinc/44/33/32/674443332.db2.gz KZIMKVYZRJWHKC-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000737973818 599863189 /nfs/dbraw/zinc/86/31/89/599863189.db2.gz SJCMKBUTIXHMNB-QGZVFWFLSA-N 0 2 373.365 2.266 20 5 FEBDLN COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739859302 604367007 /nfs/dbraw/zinc/36/70/07/604367007.db2.gz KQTZHABKPAZLPE-SECBINFHSA-N 0 2 361.301 2.047 20 5 FEBDLN COc1cc(C[N@H+]2CC[C@@H](NC(=O)[O-])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000739859302 604367011 /nfs/dbraw/zinc/36/70/11/604367011.db2.gz KQTZHABKPAZLPE-SECBINFHSA-N 0 2 361.301 2.047 20 5 FEBDLN CN(C(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000833686337 604847339 /nfs/dbraw/zinc/84/73/39/604847339.db2.gz UDSSNJBPXMSZOQ-UHFFFAOYSA-N 0 2 369.377 2.314 20 5 FEBDLN CN(C(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000833686337 604847340 /nfs/dbraw/zinc/84/73/40/604847340.db2.gz UDSSNJBPXMSZOQ-UHFFFAOYSA-N 0 2 369.377 2.314 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833790507 605523914 /nfs/dbraw/zinc/52/39/14/605523914.db2.gz OTRTZXFUEGSPGD-SECBINFHSA-N 0 2 358.782 2.117 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833790507 605523918 /nfs/dbraw/zinc/52/39/18/605523918.db2.gz OTRTZXFUEGSPGD-SECBINFHSA-N 0 2 358.782 2.117 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@H]1CCCN1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833955585 605817198 /nfs/dbraw/zinc/81/71/98/605817198.db2.gz SBKGVKUXYMEKRK-CABCVRRESA-N 0 2 359.386 2.150 20 5 FEBDLN O=C([O-])NC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])cc(Cl)c32)CC1 ZINC000834188550 605949575 /nfs/dbraw/zinc/94/95/75/605949575.db2.gz KZWSOYXJGJFDFH-UHFFFAOYSA-N 0 2 353.766 2.287 20 5 FEBDLN COc1ccc(-c2nsc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)cc1 ZINC000560881409 674623252 /nfs/dbraw/zinc/62/32/52/674623252.db2.gz NUTKBPSUZACHMB-UHFFFAOYSA-N 0 2 360.355 2.108 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000609494526 675923486 /nfs/dbraw/zinc/92/34/86/675923486.db2.gz PTQLMMOCWZYBJF-UHFFFAOYSA-N 0 2 353.356 2.127 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000609494423 675923600 /nfs/dbraw/zinc/92/36/00/675923600.db2.gz IONJMNGXBPNTEG-UHFFFAOYSA-N 0 2 367.383 2.436 20 5 FEBDLN O=[N+]([O-])c1ccc2[nH]cc(CCNS(=O)(=O)CC(F)(F)F)c2c1 ZINC000578359799 671659707 /nfs/dbraw/zinc/65/97/07/671659707.db2.gz DJDVGIGKIZXGJJ-UHFFFAOYSA-N 0 2 351.306 2.100 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000585729961 672227723 /nfs/dbraw/zinc/22/77/23/672227723.db2.gz TYCYSIJVUIYUIW-UHFFFAOYSA-N 0 2 354.388 2.121 20 5 FEBDLN Cc1ccccc1[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000611024675 676012306 /nfs/dbraw/zinc/01/23/06/676012306.db2.gz KHRHZTLSHOJMGX-ZDUSSCGKSA-N 0 2 354.359 2.054 20 5 FEBDLN O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000590401341 672578866 /nfs/dbraw/zinc/57/88/66/672578866.db2.gz BPNQLJIMMZZSIX-SNVBAGLBSA-N 0 2 361.320 2.305 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000537650701 673399214 /nfs/dbraw/zinc/39/92/14/673399214.db2.gz AUGRSXMXFTYDAJ-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN C[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000538662274 673449993 /nfs/dbraw/zinc/44/99/93/673449993.db2.gz PZYUFCDHYMIYOK-RXMQYKEDSA-N 0 2 366.186 2.059 20 5 FEBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000546076331 673790766 /nfs/dbraw/zinc/79/07/66/673790766.db2.gz YKCIRZBHHRXHKW-ZCFIWIBFSA-N 0 2 362.820 2.448 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 ZINC000619466794 676378195 /nfs/dbraw/zinc/37/81/95/676378195.db2.gz TVMKKJPBOXJORQ-UHFFFAOYSA-N 0 2 365.323 2.251 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830827255 677063754 /nfs/dbraw/zinc/06/37/54/677063754.db2.gz KRXUOILHDAQKMK-CYBMUJFWSA-N 0 2 363.267 2.017 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])o1 ZINC000748635477 679982513 /nfs/dbraw/zinc/98/25/13/679982513.db2.gz DPEPAOARAYVYTL-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc1C ZINC000768851303 680961616 /nfs/dbraw/zinc/96/16/16/680961616.db2.gz WYRLQQNOZQHPRA-UHFFFAOYSA-N 0 2 363.398 2.009 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)C[C@H]2CCCO2)ccc1Br ZINC000769636339 680989685 /nfs/dbraw/zinc/98/96/85/680989685.db2.gz SYBZLDFEHMPNRF-SECBINFHSA-N 0 2 365.205 2.278 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(C)s2)cc1[N+](=O)[O-] ZINC000777665351 681519818 /nfs/dbraw/zinc/51/98/18/681519818.db2.gz GFLBNUQQZMMYGR-UHFFFAOYSA-N 0 2 372.384 2.339 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000007708278 539463589 /nfs/dbraw/zinc/46/35/89/539463589.db2.gz LVPGGJKURFZVEN-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000042219405 540055691 /nfs/dbraw/zinc/05/56/91/540055691.db2.gz BBSUQHTZOITLOG-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000055685481 540670871 /nfs/dbraw/zinc/67/08/71/540670871.db2.gz PYROJVBXNXLFER-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000055685735 540670991 /nfs/dbraw/zinc/67/09/91/540670991.db2.gz KWSNNYCMOZZWGV-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(-c2nc(=O)o[nH]2)c1 ZINC000057751717 540813193 /nfs/dbraw/zinc/81/31/93/540813193.db2.gz ZSYKZTVBVBGYCM-UHFFFAOYSA-N 0 2 356.294 2.368 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065833822 541265360 /nfs/dbraw/zinc/26/53/60/541265360.db2.gz PWCPDFZTISHTCZ-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN Cc1nn(C)c(Br)c1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000801188961 674108010 /nfs/dbraw/zinc/10/80/10/674108010.db2.gz VROCVIADIZMBAZ-UHFFFAOYSA-N 0 2 355.148 2.357 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])n1 ZINC000066247285 541294438 /nfs/dbraw/zinc/29/44/38/541294438.db2.gz QOZJTINNHSKCHY-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN COCCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386974 674125293 /nfs/dbraw/zinc/12/52/93/674125293.db2.gz QHRHEJGIASTKER-UHFFFAOYSA-N 0 2 355.734 2.333 20 5 FEBDLN CN=c1[nH]nc(CC(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000545382483 541952861 /nfs/dbraw/zinc/95/28/61/541952861.db2.gz STTMCAPUXHIRND-CYBMUJFWSA-N 0 2 365.440 2.305 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073558248 541965384 /nfs/dbraw/zinc/96/53/84/541965384.db2.gz UIQKJMCBAPHKCO-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)c([N+](=O)[O-])c1 ZINC000075660777 542196973 /nfs/dbraw/zinc/19/69/73/542196973.db2.gz ZAGBAMOMUOHVDR-UHFFFAOYSA-N 0 2 355.397 2.738 20 5 FEBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000130546510 544155575 /nfs/dbraw/zinc/15/55/75/544155575.db2.gz NDEYOWZGCXBNTB-UHFFFAOYSA-N 0 2 374.806 2.200 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(OC)cc(OC)c2)c([N+](=O)[O-])c1 ZINC000142061095 544415563 /nfs/dbraw/zinc/41/55/63/544415563.db2.gz SHHQDLDVXVKAHW-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000151411789 544538022 /nfs/dbraw/zinc/53/80/22/544538022.db2.gz CFRZHWGFXUETNV-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152987211 544719906 /nfs/dbraw/zinc/71/99/06/544719906.db2.gz LLBILNOSQDPJCQ-UHFFFAOYSA-N 0 2 372.406 2.484 20 5 FEBDLN O=C(NCc1cccnc1OCC(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000185850308 327935551 /nfs/dbraw/zinc/93/55/51/327935551.db2.gz XKLYWIJYXRRQIG-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000195426820 328476760 /nfs/dbraw/zinc/47/67/60/328476760.db2.gz CIBIZPMKYCYVQJ-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1nnc(-c2ccccc2)n1 ZINC000089540765 325320974 /nfs/dbraw/zinc/32/09/74/325320974.db2.gz QMYOKAJNXRTOBD-SNVBAGLBSA-N 0 2 354.326 2.154 20 5 FEBDLN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000120216039 326241554 /nfs/dbraw/zinc/24/15/54/326241554.db2.gz HFAZXLFMAQDBPI-UHFFFAOYSA-N 0 2 368.349 2.199 20 5 FEBDLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164246201 327067263 /nfs/dbraw/zinc/06/72/63/327067263.db2.gz HMPZEFAXOVDVLI-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000271913167 329736758 /nfs/dbraw/zinc/73/67/58/329736758.db2.gz BLMXVHGPIFZOPP-UHFFFAOYSA-N 0 2 356.429 2.383 20 5 FEBDLN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273213324 329845788 /nfs/dbraw/zinc/84/57/88/329845788.db2.gz NWCKVWSGVRFPMN-SKDRFNHKSA-N 0 2 353.400 2.187 20 5 FEBDLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000273327456 329856104 /nfs/dbraw/zinc/85/61/04/329856104.db2.gz MNCMQUXOSSGMHJ-UHFFFAOYSA-N 0 2 358.354 2.093 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)ccc1[N+](=O)[O-] ZINC000276582597 330166966 /nfs/dbraw/zinc/16/69/66/330166966.db2.gz CRNKTNPYMGQDTP-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN CCc1ccc([C@@H](CO)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000156577574 545637145 /nfs/dbraw/zinc/63/71/45/545637145.db2.gz XKVWMWXKSYHBKI-CQSZACIVSA-N 0 2 368.386 2.308 20 5 FEBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000477402431 561144036 /nfs/dbraw/zinc/14/40/36/561144036.db2.gz GXQZIZMSIZYMFF-UHFFFAOYSA-N 0 2 350.352 2.111 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2CCO3)c([N+](=O)[O-])c1 ZINC000478701565 561173157 /nfs/dbraw/zinc/17/31/57/561173157.db2.gz IRUCRTSGZLALKL-UHFFFAOYSA-N 0 2 350.352 2.339 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000479967723 561200289 /nfs/dbraw/zinc/20/02/89/561200289.db2.gz UXQJQUFEVLKLDU-UHFFFAOYSA-N 0 2 368.318 2.352 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000179490390 546964754 /nfs/dbraw/zinc/96/47/54/546964754.db2.gz ZDWOJROQGJXXAV-OAHLLOKOSA-N 0 2 355.350 2.178 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000179494585 546966155 /nfs/dbraw/zinc/96/61/55/546966155.db2.gz QNYCNHNCEVNYHF-HNNXBMFYSA-N 0 2 373.340 2.317 20 5 FEBDLN O=C(NCCc1ccc(-n2cccn2)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000181856159 547392648 /nfs/dbraw/zinc/39/26/48/547392648.db2.gz JUSWHULBAIPCNP-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000183432113 547657692 /nfs/dbraw/zinc/65/76/92/547657692.db2.gz ROLMERHJMAHCFY-OAHLLOKOSA-N 0 2 355.350 2.004 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@H]1COc2ccccc2O1 ZINC000490362846 561431775 /nfs/dbraw/zinc/43/17/75/561431775.db2.gz GRUPSANSAPTTOU-CQSZACIVSA-N 0 2 367.321 2.158 20 5 FEBDLN CCOc1ccc(C(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000490588899 561435618 /nfs/dbraw/zinc/43/56/18/561435618.db2.gz RKWUZCDEOGDZRM-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000491061847 561442456 /nfs/dbraw/zinc/44/24/56/561442456.db2.gz SXWOPBHXEDCBRH-UHFFFAOYSA-N 0 2 369.786 2.409 20 5 FEBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000491186148 561443663 /nfs/dbraw/zinc/44/36/63/561443663.db2.gz LDSGVMRRNSTKMV-UHFFFAOYSA-N 0 2 371.378 2.500 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2nc3cccnc3n2C)cc1[N+](=O)[O-] ZINC000493368435 561455700 /nfs/dbraw/zinc/45/57/00/561455700.db2.gz XGXKXPOIWDXTME-UHFFFAOYSA-N 0 2 361.383 2.294 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1[N+](=O)[O-] ZINC000280377195 550987017 /nfs/dbraw/zinc/98/70/17/550987017.db2.gz VHLKGSDOZVIRIC-NSHDSACASA-N 0 2 366.399 2.321 20 5 FEBDLN Cc1nc(N2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)sc1C ZINC000280729759 551026192 /nfs/dbraw/zinc/02/61/92/551026192.db2.gz CXJNIYHADWRCAR-UHFFFAOYSA-N 0 2 362.411 2.336 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cn(C)nc2C(C)C)ccc1[N+](=O)[O-] ZINC000281159200 551069336 /nfs/dbraw/zinc/06/93/36/551069336.db2.gz OYGHENCHNNKVKC-UHFFFAOYSA-N 0 2 354.388 2.261 20 5 FEBDLN CN(C(=O)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)c1ccccc1 ZINC000281934199 551159433 /nfs/dbraw/zinc/15/94/33/551159433.db2.gz WEGRGFOQORTCEZ-ZDUSSCGKSA-N 0 2 369.377 2.426 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000290561294 552498325 /nfs/dbraw/zinc/49/83/25/552498325.db2.gz RXKRWYDEWCPISG-ZDUSSCGKSA-N 0 2 366.399 2.116 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000505741740 561679088 /nfs/dbraw/zinc/67/90/88/561679088.db2.gz JPALPJSFTSWOTP-UHFFFAOYSA-N 0 2 360.351 2.283 20 5 FEBDLN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506368437 561696858 /nfs/dbraw/zinc/69/68/58/561696858.db2.gz IFVDIGSYKDTOSB-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509216046 561790479 /nfs/dbraw/zinc/79/04/79/561790479.db2.gz DQFRUSSJUBPCAQ-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000509651622 561808924 /nfs/dbraw/zinc/80/89/24/561808924.db2.gz MYOMNLRMCINQFW-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN O=C(N=c1cccn[nH]1)c1cc(I)cc([N+](=O)[O-])c1 ZINC000611228822 554617411 /nfs/dbraw/zinc/61/74/11/554617411.db2.gz KYQGPGSGFZGJTK-UHFFFAOYSA-N 0 2 370.106 2.242 20 5 FEBDLN Cc1nc(CO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cs1 ZINC000365981897 555717424 /nfs/dbraw/zinc/71/74/24/555717424.db2.gz WLCJOSAOCFBVRE-CYBMUJFWSA-N 0 2 363.395 2.497 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000367478396 556061229 /nfs/dbraw/zinc/06/12/29/556061229.db2.gz DVMHRGJUTHADTQ-OAHLLOKOSA-N 0 2 370.365 2.329 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000369428530 556598357 /nfs/dbraw/zinc/59/83/57/556598357.db2.gz SRBMDWPPQBKXNA-UHFFFAOYSA-N 0 2 356.260 2.241 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000373087830 557625801 /nfs/dbraw/zinc/62/58/01/557625801.db2.gz NBSXYVUTHCOBFE-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN C[C@H]1Oc2ccccc2N(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000373166831 557642643 /nfs/dbraw/zinc/64/26/43/557642643.db2.gz NQRFQZCKAUUMCA-SNVBAGLBSA-N 0 2 357.322 2.053 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000375622053 558058192 /nfs/dbraw/zinc/05/81/92/558058192.db2.gz ADSNTHVFVWYZBZ-LLVKDONJSA-N 0 2 357.370 2.247 20 5 FEBDLN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376104531 558127754 /nfs/dbraw/zinc/12/77/54/558127754.db2.gz WVZJJZCNKNUZJE-SMDDNHRTSA-N 0 2 374.353 2.163 20 5 FEBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000392532203 558617774 /nfs/dbraw/zinc/61/77/74/558617774.db2.gz PRTUVIDHTHNORV-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)cnc1C ZINC000427321063 559753298 /nfs/dbraw/zinc/75/32/98/559753298.db2.gz BAKIILIGCIEQHE-UHFFFAOYSA-N 0 2 369.330 2.025 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1N1CCNC1=O ZINC000427986147 559767138 /nfs/dbraw/zinc/76/71/38/559767138.db2.gz VKPWPIYRUAJHRE-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1[N+](=O)[O-] ZINC000432633468 559862110 /nfs/dbraw/zinc/86/21/10/559862110.db2.gz NLCGULMWXLXRFS-UHFFFAOYSA-N 0 2 367.408 2.284 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000435719799 559928765 /nfs/dbraw/zinc/92/87/65/559928765.db2.gz QOOIQWRMPJOMSM-UHFFFAOYSA-N 0 2 350.278 2.446 20 5 FEBDLN COc1cccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1[N+](=O)[O-] ZINC000436034737 559934040 /nfs/dbraw/zinc/93/40/40/559934040.db2.gz DOQNJBZKAAWLLC-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN COC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000436673514 559948346 /nfs/dbraw/zinc/94/83/46/559948346.db2.gz RFFBIOVWRWISHF-CQSZACIVSA-N 0 2 362.313 2.474 20 5 FEBDLN COc1cccc(C(F)(F)CNC(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000436679348 559948542 /nfs/dbraw/zinc/94/85/42/559948542.db2.gz FRHIKASHJMWUBJ-UHFFFAOYSA-N 0 2 353.281 2.226 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000436903941 559956077 /nfs/dbraw/zinc/95/60/77/559956077.db2.gz XSSLSXLBDHUMPT-AWEZNQCLSA-N 0 2 362.313 2.126 20 5 FEBDLN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000442584261 560053060 /nfs/dbraw/zinc/05/30/60/560053060.db2.gz GTDCHULIWVRQMA-GFCCVEGCSA-N 0 2 357.366 2.376 20 5 FEBDLN CC(C)Nc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000451099051 560287092 /nfs/dbraw/zinc/28/70/92/560287092.db2.gz ZMCPKWFPVPFAFZ-UHFFFAOYSA-N 0 2 365.415 2.359 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1[C@@H]1CCOC1 ZINC000451100777 560287145 /nfs/dbraw/zinc/28/71/45/560287145.db2.gz XORLYQMIFQNGMC-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1[C@@H]1CCOC1 ZINC000451099743 560287174 /nfs/dbraw/zinc/28/71/74/560287174.db2.gz NFHGAMCJWQGWBJ-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452979783 560379733 /nfs/dbraw/zinc/37/97/33/560379733.db2.gz SBABAWCTCROHDM-KSSFIOAISA-N 0 2 360.341 2.241 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1n1cccn1 ZINC000456622898 560526151 /nfs/dbraw/zinc/52/61/51/560526151.db2.gz BINKVPVUXGTPQY-IMJJTQAJSA-N 0 2 374.397 2.424 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1n1cccn1 ZINC000456622897 560526169 /nfs/dbraw/zinc/52/61/69/560526169.db2.gz BINKVPVUXGTPQY-FVQBIDKESA-N 0 2 374.397 2.424 20 5 FEBDLN O=[N+]([O-])c1cnccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000461118307 560762097 /nfs/dbraw/zinc/76/20/97/560762097.db2.gz IJMAIDRRWHUBPV-UHFFFAOYSA-N 0 2 365.264 2.370 20 5 FEBDLN CC(C)c1nnc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000534980501 562546692 /nfs/dbraw/zinc/54/66/92/562546692.db2.gz UABVWTMTDXBGSM-QMMMGPOBSA-N 0 2 357.367 2.015 20 5 FEBDLN CC(C)c1nc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000534980501 562546693 /nfs/dbraw/zinc/54/66/93/562546693.db2.gz UABVWTMTDXBGSM-QMMMGPOBSA-N 0 2 357.367 2.015 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808125664 674443068 /nfs/dbraw/zinc/44/30/68/674443068.db2.gz JTAGYONVHHSIJV-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN CCOc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000737203536 599784709 /nfs/dbraw/zinc/78/47/09/599784709.db2.gz OEMZIRLMIBDXGD-QGZVFWFLSA-N 0 2 373.365 2.348 20 5 FEBDLN Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047861 601973592 /nfs/dbraw/zinc/97/35/92/601973592.db2.gz WVTLLJLNILBOIC-QWHCGFSZSA-N 0 2 364.402 2.304 20 5 FEBDLN Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047861 601973593 /nfs/dbraw/zinc/97/35/93/601973593.db2.gz WVTLLJLNILBOIC-QWHCGFSZSA-N 0 2 364.402 2.304 20 5 FEBDLN C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000828284829 602348438 /nfs/dbraw/zinc/34/84/38/602348438.db2.gz IHFMBINGYGHQPP-XHDPSFHLSA-N 0 2 358.354 2.213 20 5 FEBDLN CC(C)[C@H](CC[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000824104920 603921512 /nfs/dbraw/zinc/92/15/12/603921512.db2.gz JHKCCWLCZDJZLM-LBPRGKRZSA-N 0 2 366.374 2.074 20 5 FEBDLN CC(C)[C@H](CC[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000824104920 603921515 /nfs/dbraw/zinc/92/15/15/603921515.db2.gz JHKCCWLCZDJZLM-LBPRGKRZSA-N 0 2 366.374 2.074 20 5 FEBDLN C[C@H](Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)N(C)C(=O)[O-] ZINC000825035609 605299800 /nfs/dbraw/zinc/29/98/00/605299800.db2.gz BXAAOTODNRGRJN-SNVBAGLBSA-N 0 2 372.341 2.371 20 5 FEBDLN O=[N+]([O-])c1c(-c2nn[nH]n2)ccnc1Sc1nc(-c2ccccc2)n[nH]1 ZINC000823629644 607166513 /nfs/dbraw/zinc/16/65/13/607166513.db2.gz CYBQFMOERVFDHB-UHFFFAOYSA-N 0 2 367.354 2.106 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000572437841 671001553 /nfs/dbraw/zinc/00/15/53/671001553.db2.gz UPCRSMOHAFKBMF-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000576914261 671403645 /nfs/dbraw/zinc/40/36/45/671403645.db2.gz ADLKUHYOACZEEB-UHFFFAOYSA-N 0 2 359.367 2.040 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c(OC)n1 ZINC000610499746 675976195 /nfs/dbraw/zinc/97/61/95/675976195.db2.gz XUWNYFBEDULWFJ-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1 ZINC000134098851 672119489 /nfs/dbraw/zinc/11/94/89/672119489.db2.gz QUEFEWANSSCTAI-UHFFFAOYSA-N 0 2 367.358 2.203 20 5 FEBDLN CN1Cc2ccccc2[C@@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000536022070 673358714 /nfs/dbraw/zinc/35/87/14/673358714.db2.gz FQLMGHXNDKKUSH-AWEZNQCLSA-N 0 2 365.386 2.199 20 5 FEBDLN CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])n2)s1 ZINC000839476246 680755036 /nfs/dbraw/zinc/75/50/36/680755036.db2.gz COEDLWFRIMZQJC-MWLCHTKSSA-N 0 2 366.424 2.111 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)o1 ZINC000754739385 680374413 /nfs/dbraw/zinc/37/44/13/680374413.db2.gz BSLUWVCOELPYQF-UHFFFAOYSA-N 0 2 358.303 2.223 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000759130109 680629731 /nfs/dbraw/zinc/62/97/31/680629731.db2.gz PJZVMHKOBKZDKE-UHFFFAOYSA-N 0 2 364.276 2.104 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cn1C ZINC000768864978 680962277 /nfs/dbraw/zinc/96/22/77/680962277.db2.gz FSRJZJGXBKNWFZ-UHFFFAOYSA-N 0 2 373.774 2.174 20 5 FEBDLN CON(C)C(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000768881157 680963197 /nfs/dbraw/zinc/96/31/97/680963197.db2.gz GPBDYHWMWZUTLX-UHFFFAOYSA-N 0 2 371.396 2.091 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)cc1[N+](=O)[O-] ZINC000775099929 681274839 /nfs/dbraw/zinc/27/48/39/681274839.db2.gz KGBQAPGGFKPRLT-UHFFFAOYSA-N 0 2 366.277 2.192 20 5 FEBDLN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000014867609 539606746 /nfs/dbraw/zinc/60/67/46/539606746.db2.gz BYIMSVUDBMBHHM-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN O=c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n[nH]1 ZINC000057819871 540817188 /nfs/dbraw/zinc/81/71/88/540817188.db2.gz QASGDKJMTGUZIX-UHFFFAOYSA-N 0 2 372.362 2.146 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066249939 541295224 /nfs/dbraw/zinc/29/52/24/541295224.db2.gz RFRYTAWAILAAED-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN CC(=O)[C@H](C)OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386404 674125252 /nfs/dbraw/zinc/12/52/52/674125252.db2.gz IDVYXNRWZCUSHF-QMMMGPOBSA-N 0 2 353.718 2.274 20 5 FEBDLN O=C(Cc1csc(-c2cnccn2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092547403 542869941 /nfs/dbraw/zinc/86/99/41/542869941.db2.gz JADSBIDJOHIGTL-UHFFFAOYSA-N 0 2 357.351 2.395 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)s1 ZINC000126301328 543928581 /nfs/dbraw/zinc/92/85/81/543928581.db2.gz ZNMKPEMQHSELMM-UHFFFAOYSA-N 0 2 369.409 2.371 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000131363253 544187273 /nfs/dbraw/zinc/18/72/73/544187273.db2.gz XQVLCXITZWACCP-OAHLLOKOSA-N 0 2 355.350 2.178 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000131615213 544198207 /nfs/dbraw/zinc/19/82/07/544198207.db2.gz IGPVPYWHMZRMIT-CYBMUJFWSA-N 0 2 360.395 2.058 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000184705128 327879849 /nfs/dbraw/zinc/87/98/49/327879849.db2.gz DIWRWVONXFRXHG-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185792720 327933071 /nfs/dbraw/zinc/93/30/71/327933071.db2.gz GTKLUJYYGIPZAA-MRXNPFEDSA-N 0 2 373.340 2.061 20 5 FEBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12 ZINC000186607453 327970571 /nfs/dbraw/zinc/97/05/71/327970571.db2.gz DKVVHRIPAOKSQH-UHFFFAOYSA-N 0 2 361.383 2.294 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000187974120 328057364 /nfs/dbraw/zinc/05/73/64/328057364.db2.gz DDYGOXOELXTQEZ-NSHDSACASA-N 0 2 354.388 2.108 20 5 FEBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cccnn2)cc1[N+](=O)[O-] ZINC000191043308 328247156 /nfs/dbraw/zinc/24/71/56/328247156.db2.gz IORDNSYPTWJXDD-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cccc(-n3ccnn3)c2)cc1[N+](=O)[O-] ZINC000119383509 326156126 /nfs/dbraw/zinc/15/61/26/326156126.db2.gz XYPSKCKYLMDNTC-UHFFFAOYSA-N 0 2 365.396 2.346 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160228732 326957854 /nfs/dbraw/zinc/95/78/54/326957854.db2.gz WUAYMCOWYJFURJ-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000267645207 329346361 /nfs/dbraw/zinc/34/63/61/329346361.db2.gz KKJXJARDFZUFPR-UHFFFAOYSA-N 0 2 358.401 2.379 20 5 FEBDLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000269305542 329505909 /nfs/dbraw/zinc/50/59/09/329505909.db2.gz AKLACUGDSWMGNA-UHFFFAOYSA-N 0 2 358.354 2.093 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])oc1C ZINC000554729968 674332924 /nfs/dbraw/zinc/33/29/24/674332924.db2.gz TWOYENNGKHAIED-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN O=C(c1c(O)cc(F)cc1F)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173684412 546285840 /nfs/dbraw/zinc/28/58/40/546285840.db2.gz AKZMXMORQJBMPW-SNVBAGLBSA-N 0 2 364.308 2.300 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000180773574 547177356 /nfs/dbraw/zinc/17/73/56/547177356.db2.gz CSMBKNUVQWNAKZ-UHFFFAOYSA-N 0 2 370.296 2.238 20 5 FEBDLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184642369 547859798 /nfs/dbraw/zinc/85/97/98/547859798.db2.gz VGDNNYZCXPLCHS-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000186506954 548145736 /nfs/dbraw/zinc/14/57/36/548145736.db2.gz ITGYPRPOOLDPMK-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000245614887 548958142 /nfs/dbraw/zinc/95/81/42/548958142.db2.gz LIGBPISQCSMMFJ-BFQNTYOBSA-N 0 2 351.403 2.373 20 5 FEBDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000488406938 561389470 /nfs/dbraw/zinc/38/94/70/561389470.db2.gz LYOGLFBOESDQDP-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000488984441 561400979 /nfs/dbraw/zinc/40/09/79/561400979.db2.gz PVTOEZJOGATIIE-UHFFFAOYSA-N 0 2 355.310 2.018 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)cc1[N+](=O)[O-] ZINC000278355219 550776354 /nfs/dbraw/zinc/77/63/54/550776354.db2.gz IZLIDGYAJFKXLT-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000280187664 550969157 /nfs/dbraw/zinc/96/91/57/550969157.db2.gz CUJSYGUZIQYCBO-NSHDSACASA-N 0 2 366.399 2.321 20 5 FEBDLN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280708056 551023829 /nfs/dbraw/zinc/02/38/29/551023829.db2.gz GAOCIYJEPFLYIS-UHFFFAOYSA-N 0 2 365.386 2.383 20 5 FEBDLN CN(C(=O)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)c1ccccc1 ZINC000281847289 551148042 /nfs/dbraw/zinc/14/80/42/551148042.db2.gz PUMHBUHKYCPCCE-CYBMUJFWSA-N 0 2 369.377 2.426 20 5 FEBDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000325730330 553777768 /nfs/dbraw/zinc/77/77/68/553777768.db2.gz PGDXEGZODKIAJA-UHFFFAOYSA-N 0 2 372.380 2.258 20 5 FEBDLN CN(C)C(=O)COc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000506639794 561704613 /nfs/dbraw/zinc/70/46/13/561704613.db2.gz OINXYHVIOKNKJT-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000331354174 554249978 /nfs/dbraw/zinc/24/99/78/554249978.db2.gz PKCVQGVKMWOINU-KRWDZBQOSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(-c3cccc([N+](=O)[O-])c3)[nH]n2)cn1 ZINC000509215925 561790360 /nfs/dbraw/zinc/79/03/60/561790360.db2.gz CUBGNPQGIPPNCJ-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN CO[C@H](C)c1nc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s[n-]1 ZINC000511106150 561857244 /nfs/dbraw/zinc/85/72/44/561857244.db2.gz NAAWINVWWXMJEL-SECBINFHSA-N 0 2 374.382 2.014 20 5 FEBDLN CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178783 554908311 /nfs/dbraw/zinc/90/83/11/554908311.db2.gz GYTUSUKZYOYGDH-OAHLLOKOSA-N 0 2 359.430 2.414 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000364890348 555427073 /nfs/dbraw/zinc/42/70/73/555427073.db2.gz DTABYQGNOMOCIU-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000365922882 555702055 /nfs/dbraw/zinc/70/20/55/555702055.db2.gz WRXCSPNEYCNQHR-AWEZNQCLSA-N 0 2 350.371 2.101 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2-c2ccccn2)cc1[N+](=O)[O-] ZINC000366257039 555794429 /nfs/dbraw/zinc/79/44/29/555794429.db2.gz CIVRFFVHYIPQPD-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000367478395 556061206 /nfs/dbraw/zinc/06/12/06/556061206.db2.gz DVMHRGJUTHADTQ-HNNXBMFYSA-N 0 2 370.365 2.329 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367675428 556111488 /nfs/dbraw/zinc/11/14/88/556111488.db2.gz PLTKRVDBAPFQRD-NSHDSACASA-N 0 2 373.369 2.002 20 5 FEBDLN COC(=O)c1ccc(CCNC(=O)c2cccc(O)c2[N+](=O)[O-])c(OC)c1 ZINC000514963279 561989252 /nfs/dbraw/zinc/98/92/52/561989252.db2.gz NNRSORGWSNWLEA-UHFFFAOYSA-N 0 2 374.349 2.068 20 5 FEBDLN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCCc2cn[nH]c21 ZINC000371229789 557114028 /nfs/dbraw/zinc/11/40/28/557114028.db2.gz NFHWUUUTEDIEHJ-LBPRGKRZSA-N 0 2 353.342 2.162 20 5 FEBDLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000373109540 557630677 /nfs/dbraw/zinc/63/06/77/557630677.db2.gz GZNABPMMPANQJH-UHFFFAOYSA-N 0 2 362.252 2.011 20 5 FEBDLN O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000373832722 557769099 /nfs/dbraw/zinc/76/90/99/557769099.db2.gz VXNRDYRXBYBXHQ-UHFFFAOYSA-N 0 2 366.765 2.483 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1c1ccccc1 ZINC000374102959 557824008 /nfs/dbraw/zinc/82/40/08/557824008.db2.gz WXOOMYNNMWAOBY-LSDHHAIUSA-N 0 2 370.361 2.329 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000375804117 558082160 /nfs/dbraw/zinc/08/21/60/558082160.db2.gz BQGHBGOOALBNJG-CXAGYDPISA-N 0 2 350.371 2.101 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnccc2-n2cccn2)ccc1[N+](=O)[O-] ZINC000522439443 562198561 /nfs/dbraw/zinc/19/85/61/562198561.db2.gz UDPDJUFPYPADLL-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000421229079 559532193 /nfs/dbraw/zinc/53/21/93/559532193.db2.gz FNGMOWQNSVLOBI-LLVKDONJSA-N 0 2 356.404 2.274 20 5 FEBDLN Cn1cc[nH+]c1[C@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483972 559629988 /nfs/dbraw/zinc/62/99/88/559629988.db2.gz QMIYWPISPGLSHC-ZIAGYGMSSA-N 0 2 351.357 2.005 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1[N+](=O)[O-] ZINC000432972969 559869222 /nfs/dbraw/zinc/86/92/22/559869222.db2.gz TXCRYYQODHFOOP-CQSZACIVSA-N 0 2 366.399 2.289 20 5 FEBDLN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436714315 559949763 /nfs/dbraw/zinc/94/97/63/559949763.db2.gz HVLWFDSQVVXFCY-SWLSCSKDSA-N 0 2 372.377 2.451 20 5 FEBDLN O=C(NC[C@H](CO)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000436742812 559950634 /nfs/dbraw/zinc/95/06/34/559950634.db2.gz WXBYZVCRKRIODM-SNVBAGLBSA-N 0 2 350.758 2.460 20 5 FEBDLN COC(=O)COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436822047 559953185 /nfs/dbraw/zinc/95/31/85/559953185.db2.gz ZTCVTFRFQPLUCN-NSHDSACASA-N 0 2 374.349 2.343 20 5 FEBDLN O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436870650 559954862 /nfs/dbraw/zinc/95/48/62/559954862.db2.gz QSJVNYHVCUBGDG-MAUKXSAKSA-N 0 2 360.341 2.336 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436896867 559955684 /nfs/dbraw/zinc/95/56/84/559955684.db2.gz OUCQLQAKNBRDTC-CQSZACIVSA-N 0 2 362.313 2.126 20 5 FEBDLN COc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])cc2O)cc(OC)c1 ZINC000436901964 559955962 /nfs/dbraw/zinc/95/59/62/559955962.db2.gz RYPGQVZLHPAHTN-UHFFFAOYSA-N 0 2 361.354 2.160 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCn2c(nnc2C2CCCC2)C1 ZINC000436961339 559957570 /nfs/dbraw/zinc/95/75/70/559957570.db2.gz BJROZDATHCELNL-UHFFFAOYSA-N 0 2 357.370 2.206 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000436971397 559957940 /nfs/dbraw/zinc/95/79/40/559957940.db2.gz ONONRVLPDJYICK-QWHCGFSZSA-N 0 2 352.412 2.427 20 5 FEBDLN CCOC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436980728 559958269 /nfs/dbraw/zinc/95/82/69/559958269.db2.gz OSJCCFWXNGJZTB-OAHLLOKOSA-N 0 2 358.350 2.377 20 5 FEBDLN COC(=O)[C@@H]1c2ccccc2CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436980036 559958383 /nfs/dbraw/zinc/95/83/83/559958383.db2.gz MBBHGXRNKOYOKR-INIZCTEOSA-N 0 2 356.334 2.213 20 5 FEBDLN O=C(N[C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436990687 559958777 /nfs/dbraw/zinc/95/87/77/559958777.db2.gz PIODBIVFZLGAPE-CQSZACIVSA-N 0 2 353.338 2.132 20 5 FEBDLN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436990687 559958778 /nfs/dbraw/zinc/95/87/78/559958778.db2.gz PIODBIVFZLGAPE-CQSZACIVSA-N 0 2 353.338 2.132 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000442348659 560049595 /nfs/dbraw/zinc/04/95/95/560049595.db2.gz LIYMXRWGORPEFQ-UHFFFAOYSA-N 0 2 366.351 2.278 20 5 FEBDLN O=[N+]([O-])c1ccc([C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 ZINC000451851845 560332384 /nfs/dbraw/zinc/33/23/84/560332384.db2.gz NCICRCLZPUNUOC-LLVKDONJSA-N 0 2 367.349 2.171 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@H]1c1ccccc1 ZINC000456968152 560541051 /nfs/dbraw/zinc/54/10/51/560541051.db2.gz WXOOMYNNMWAOBY-GJZGRUSLSA-N 0 2 370.361 2.329 20 5 FEBDLN CCS(=O)(=O)c1cccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000461458654 560772199 /nfs/dbraw/zinc/77/21/99/560772199.db2.gz YMRCEOSZTCQCIX-UHFFFAOYSA-N 0 2 364.379 2.275 20 5 FEBDLN COCCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000463473953 560816457 /nfs/dbraw/zinc/81/64/57/560816457.db2.gz ZGXIKMKUYNXUNI-UHFFFAOYSA-N 0 2 351.384 2.288 20 5 FEBDLN Cc1ccc(O)c(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000464845876 560853302 /nfs/dbraw/zinc/85/33/02/560853302.db2.gz PLHAWDXKTJDROH-UHFFFAOYSA-N 0 2 366.351 2.181 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468872081 560941054 /nfs/dbraw/zinc/94/10/54/560941054.db2.gz GPKDVNLFXMIBNL-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1NS(C)(=O)=O ZINC000469635825 560960403 /nfs/dbraw/zinc/96/04/03/560960403.db2.gz YCKYMGKBKBIRHF-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2ccc(OCC(C)C)nc2)c([N+](=O)[O-])n1 ZINC000533786570 562518070 /nfs/dbraw/zinc/51/80/70/562518070.db2.gz ZJPYRLYPIZVLBE-UHFFFAOYSA-N 0 2 369.403 2.042 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1S(C)(=O)=O ZINC000534848425 562543849 /nfs/dbraw/zinc/54/38/49/562543849.db2.gz NYEZBXMWWMSIGE-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000535399308 562557835 /nfs/dbraw/zinc/55/78/35/562557835.db2.gz IGPOUWDCAHGMED-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)cc1[N+](=O)[O-] ZINC000535896597 562570402 /nfs/dbraw/zinc/57/04/02/562570402.db2.gz XGBYOMXIPHFCME-UHFFFAOYSA-N 0 2 366.327 2.193 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000536458859 562576026 /nfs/dbraw/zinc/57/60/26/562576026.db2.gz IXOQSVRLVZKJGR-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN CN(CCn1cc(Br)cn1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000568456756 568039902 /nfs/dbraw/zinc/03/99/02/568039902.db2.gz LCVYZRRBENQUJK-UHFFFAOYSA-N 0 2 369.175 2.032 20 5 FEBDLN COc1ccc(-c2ccc(C[N@@H+]3CCO[C@@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000820805132 598124093 /nfs/dbraw/zinc/12/40/93/598124093.db2.gz IWCUNVNMRANMRA-MRXNPFEDSA-N 0 2 362.338 2.149 20 5 FEBDLN COc1ccc(-c2ccc(C[N@H+]3CCO[C@@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000820805132 598124095 /nfs/dbraw/zinc/12/40/95/598124095.db2.gz IWCUNVNMRANMRA-MRXNPFEDSA-N 0 2 362.338 2.149 20 5 FEBDLN Nc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000808071005 674440087 /nfs/dbraw/zinc/44/00/87/674440087.db2.gz JRYAHJGRMBETQW-UHFFFAOYSA-N 0 2 362.289 2.392 20 5 FEBDLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000832252726 601005144 /nfs/dbraw/zinc/00/51/44/601005144.db2.gz RGIZOQNJKCOVKY-QGZVFWFLSA-N 0 2 373.365 2.266 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740174625 602266970 /nfs/dbraw/zinc/26/69/70/602266970.db2.gz KFVHKOAFTMBQRQ-CHWSQXEVSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740174625 602266972 /nfs/dbraw/zinc/26/69/72/602266972.db2.gz KFVHKOAFTMBQRQ-CHWSQXEVSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830531042 604216045 /nfs/dbraw/zinc/21/60/45/604216045.db2.gz AUFJVYMUCAFNKU-STQMWFEESA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)[O-])C1 ZINC000830531042 604216048 /nfs/dbraw/zinc/21/60/48/604216048.db2.gz AUFJVYMUCAFNKU-STQMWFEESA-N 0 2 364.402 2.210 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]CCN(C(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833953854 605816448 /nfs/dbraw/zinc/81/64/48/605816448.db2.gz CRQOFKKWBJQUQS-OAHLLOKOSA-N 0 2 359.386 2.150 20 5 FEBDLN CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000110177837 670847887 /nfs/dbraw/zinc/84/78/87/670847887.db2.gz YUYIPJZXGJSTHU-UHFFFAOYSA-N 0 2 373.387 2.298 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)ccc1[N+](=O)[O-] ZINC000609848825 675938997 /nfs/dbraw/zinc/93/89/97/675938997.db2.gz JHNWNDBNNLFXKF-UHFFFAOYSA-N 0 2 356.429 2.275 20 5 FEBDLN O=C(NC[C@H](CO)c1ccccc1Cl)c1cc(O)ccc1[N+](=O)[O-] ZINC000588780910 672480804 /nfs/dbraw/zinc/48/08/04/672480804.db2.gz GOSOFNPSTCMEOB-SNVBAGLBSA-N 0 2 350.758 2.460 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000589558972 672531494 /nfs/dbraw/zinc/53/14/94/672531494.db2.gz VSLVDMLGLFQMND-UHFFFAOYSA-N 0 2 361.383 2.016 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000194134909 672748723 /nfs/dbraw/zinc/74/87/23/672748723.db2.gz IUECLQRRWPDMCK-UHFFFAOYSA-N 0 2 369.786 2.409 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2ccc(OC)nc2OC)cc1[N+](=O)[O-] ZINC000592351401 672790160 /nfs/dbraw/zinc/79/01/60/672790160.db2.gz PXMLNOJLFPLXFO-UHFFFAOYSA-N 0 2 367.383 2.370 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000597442612 673478058 /nfs/dbraw/zinc/47/80/58/673478058.db2.gz MKWAPVMQJHMEKZ-ZJUUUORDSA-N 0 2 364.276 2.223 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000597491622 673482096 /nfs/dbraw/zinc/48/20/96/673482096.db2.gz PCMCWBGQGFFYQY-ZJUUUORDSA-N 0 2 364.276 2.223 20 5 FEBDLN CCS(=O)(=O)c1ccc(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000539971101 673516632 /nfs/dbraw/zinc/51/66/32/673516632.db2.gz UIKUQFSDUKGARU-UHFFFAOYSA-N 0 2 364.379 2.275 20 5 FEBDLN COc1cc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cnc1OC ZINC000600661634 673788061 /nfs/dbraw/zinc/78/80/61/673788061.db2.gz ZWZMRETVZJALDA-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)c(F)c1 ZINC000546177863 673795510 /nfs/dbraw/zinc/79/55/10/673795510.db2.gz XKXMDMNQQDCCBG-UHFFFAOYSA-N 0 2 372.296 2.124 20 5 FEBDLN CS(=O)(=O)c1ccc(-n2[nH]c(-c3ccc([N+](=O)[O-])cc3)cc2=O)cc1 ZINC000603921610 675802158 /nfs/dbraw/zinc/80/21/58/675802158.db2.gz ZEQPNEFALGBZDR-UHFFFAOYSA-N 0 2 359.363 2.139 20 5 FEBDLN CC1=C(C(=O)OCC(C)C)[C@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1 ZINC000748208868 679942105 /nfs/dbraw/zinc/94/21/05/679942105.db2.gz RFWCUTZEUVSBLR-AWEZNQCLSA-N 0 2 365.411 2.292 20 5 FEBDLN CC1=NC(=S)N[C@@H](c2ccc([N+](=O)[O-])c(O)c2)C1C(=O)OCC(C)C ZINC000748208868 679942107 /nfs/dbraw/zinc/94/21/07/679942107.db2.gz RFWCUTZEUVSBLR-AWEZNQCLSA-N 0 2 365.411 2.292 20 5 FEBDLN O=C(O[C@H]1CCOC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000837709696 680638441 /nfs/dbraw/zinc/63/84/41/680638441.db2.gz NWDAIJZNFVQTOO-VIFPVBQESA-N 0 2 353.718 2.085 20 5 FEBDLN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000847092105 681332075 /nfs/dbraw/zinc/33/20/75/681332075.db2.gz QMZKWFAYIOQDHT-VIFPVBQESA-N 0 2 350.306 2.151 20 5 FEBDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000783957494 682189182 /nfs/dbraw/zinc/18/91/82/682189182.db2.gz NDCHACSBGMPJML-UHFFFAOYSA-N 0 2 359.795 2.396 20 5 FEBDLN CC1(c2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)s2)OCCO1 ZINC000860440174 683243985 /nfs/dbraw/zinc/24/39/85/683243985.db2.gz WRUCQJDWVVZVMZ-UHFFFAOYSA-N 0 2 351.340 2.229 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cncc(F)c2)cc1[N+](=O)[O-] ZINC000799186410 683434656 /nfs/dbraw/zinc/43/46/56/683434656.db2.gz VMMTXSJLUBWMST-UHFFFAOYSA-N 0 2 370.318 2.108 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000866284269 684088439 /nfs/dbraw/zinc/08/84/39/684088439.db2.gz NPGDIVVICKGDHO-LLVKDONJSA-N 0 2 352.700 2.291 20 5 FEBDLN C[C@@H]1CCN(c2ccnc(F)c2[N+](=O)[O-])C[C@@H]1NC(=O)C(F)(F)F ZINC000882640026 687421966 /nfs/dbraw/zinc/42/19/66/687421966.db2.gz UOJCJVLKCXSIQO-SFYZADRCSA-N 0 2 350.272 2.022 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2cncn2)cc1 ZINC000018160068 539647100 /nfs/dbraw/zinc/64/71/00/539647100.db2.gz PIIUGYCHUZHKII-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000028737528 539836408 /nfs/dbraw/zinc/83/64/08/539836408.db2.gz PFKLPXRUSXOTCT-UHFFFAOYSA-N 0 2 367.365 2.363 20 5 FEBDLN O=C(COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)C1CC1 ZINC000801386727 674125073 /nfs/dbraw/zinc/12/50/73/674125073.db2.gz MZGJMYMEKKDDIH-UHFFFAOYSA-N 0 2 365.729 2.275 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)oc(=O)n2C ZINC000102862770 543083795 /nfs/dbraw/zinc/08/37/95/543083795.db2.gz NSEBFXXGZDQTDN-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000144158866 544426494 /nfs/dbraw/zinc/42/64/94/544426494.db2.gz XRKJUGBPMDHRFH-INIZCTEOSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000179443254 327643598 /nfs/dbraw/zinc/64/35/98/327643598.db2.gz HUMKSSUOIVTHAG-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000181932415 327753434 /nfs/dbraw/zinc/75/34/34/327753434.db2.gz PKXUCFPGXYNAAX-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181947073 327754061 /nfs/dbraw/zinc/75/40/61/327754061.db2.gz YNYWQNCSSIALGQ-GFCCVEGCSA-N 0 2 363.414 2.313 20 5 FEBDLN CC(C)n1cnnc1C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181990007 327755856 /nfs/dbraw/zinc/75/58/56/327755856.db2.gz LHRHHHNODNXOPE-UHFFFAOYSA-N 0 2 359.386 2.493 20 5 FEBDLN NC(=O)C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(Cl)c1 ZINC000182085719 327760029 /nfs/dbraw/zinc/76/00/29/327760029.db2.gz CFRWZJCSKZOHKP-CYBMUJFWSA-N 0 2 363.757 2.300 20 5 FEBDLN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000190131504 328190179 /nfs/dbraw/zinc/19/01/79/328190179.db2.gz KMTMHKSJFJNJFL-ZFWWWQNUSA-N 0 2 360.370 2.167 20 5 FEBDLN CCn1c2ccccc2n(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)c1=O ZINC000089540810 325321181 /nfs/dbraw/zinc/32/11/81/325321181.db2.gz MVHSMQJDJMBTMF-UHFFFAOYSA-N 0 2 356.338 2.075 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccccc2-n2ccnn2)cc1[N+](=O)[O-] ZINC000119047287 326121426 /nfs/dbraw/zinc/12/14/26/326121426.db2.gz HARZACLDYFGNPV-UHFFFAOYSA-N 0 2 365.396 2.346 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000171343446 327133540 /nfs/dbraw/zinc/13/35/40/327133540.db2.gz QOTYVYWEGAVMJV-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)cc1[N+](=O)[O-] ZINC000171343402 327133612 /nfs/dbraw/zinc/13/36/12/327133612.db2.gz ZSEUGDVDMIVSTE-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174883627 327357898 /nfs/dbraw/zinc/35/78/98/327357898.db2.gz KPZKFQSLRLCJPQ-GOSISDBHSA-N 0 2 362.474 2.205 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1 ZINC000479978423 561200542 /nfs/dbraw/zinc/20/05/42/561200542.db2.gz GHJHNXNQGUOBIE-UHFFFAOYSA-N 0 2 368.318 2.352 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-c3nn[nH]n3)cc2)c1[N+](=O)[O-] ZINC000480245219 561205724 /nfs/dbraw/zinc/20/57/24/561205724.db2.gz YVKAFAOPUCMOGX-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000482105804 561248528 /nfs/dbraw/zinc/24/85/28/561248528.db2.gz RKWQYSWVOALRER-UHFFFAOYSA-N 0 2 369.786 2.077 20 5 FEBDLN CCN(CC)C(=O)N1CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000483431623 561277008 /nfs/dbraw/zinc/27/70/08/561277008.db2.gz CNMDHPUEQNMXLQ-UHFFFAOYSA-N 0 2 364.402 2.413 20 5 FEBDLN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000182164507 547446991 /nfs/dbraw/zinc/44/69/91/547446991.db2.gz UNLMGCPISNWCQR-CQSZACIVSA-N 0 2 369.377 2.079 20 5 FEBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)n1nnc(-c2ccccc2)n1 ZINC000183900769 547736455 /nfs/dbraw/zinc/73/64/55/547736455.db2.gz NNZGVNSSRRPOCS-SNVBAGLBSA-N 0 2 354.326 2.154 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000183917165 547739898 /nfs/dbraw/zinc/73/98/98/547739898.db2.gz OESKPNIEXZYMFN-ZDUSSCGKSA-N 0 2 355.350 2.288 20 5 FEBDLN COC(=O)c1ccc(Cl)c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000486052503 561336987 /nfs/dbraw/zinc/33/69/87/561336987.db2.gz JICLYKPQFFVABI-HWKANZROSA-N 0 2 351.702 2.406 20 5 FEBDLN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274763164 550552796 /nfs/dbraw/zinc/55/27/96/550552796.db2.gz NXPHQEORRIIJIN-JTQLQIEISA-N 0 2 353.375 2.286 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cncc(N2CCCC2)n1 ZINC000278656296 550808578 /nfs/dbraw/zinc/80/85/78/550808578.db2.gz WQCWKRQWKLYMLA-UHFFFAOYSA-N 0 2 363.399 2.094 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000280984212 551051912 /nfs/dbraw/zinc/05/19/12/551051912.db2.gz PVALRKVOBALIBV-NSHDSACASA-N 0 2 365.386 2.287 20 5 FEBDLN Cc1cnn(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000285113549 551706499 /nfs/dbraw/zinc/70/64/99/551706499.db2.gz MTZRTHVQLATLON-UHFFFAOYSA-N 0 2 362.314 2.039 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508072814 561750335 /nfs/dbraw/zinc/75/03/35/561750335.db2.gz HZULFOCKFAUJPR-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000331354175 554250006 /nfs/dbraw/zinc/25/00/06/554250006.db2.gz PKCVQGVKMWOINU-QGZVFWFLSA-N 0 2 350.371 2.494 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000331962897 554353696 /nfs/dbraw/zinc/35/36/96/554353696.db2.gz VGSKFAQSZDYFFQ-LLVKDONJSA-N 0 2 351.750 2.439 20 5 FEBDLN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509792152 561814198 /nfs/dbraw/zinc/81/41/98/561814198.db2.gz MNCRCRSIBLDKCK-UHFFFAOYSA-N 0 2 359.338 2.263 20 5 FEBDLN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509895842 561817634 /nfs/dbraw/zinc/81/76/34/561817634.db2.gz IDXJJHVSVPBBCF-UHFFFAOYSA-N 0 2 364.379 2.406 20 5 FEBDLN O=C(Nc1ccccn1)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367010669 555996618 /nfs/dbraw/zinc/99/66/18/555996618.db2.gz SBBKEWYXDNNSPO-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000373535967 557713301 /nfs/dbraw/zinc/71/33/01/557713301.db2.gz UFHNMBVWSBDDNJ-GOSISDBHSA-N 0 2 353.334 2.036 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@]2(CCCOC2)O1 ZINC000373702823 557741796 /nfs/dbraw/zinc/74/17/96/557741796.db2.gz QNPRTLHCHGOSBJ-DYVFJYSZSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000374805223 557934157 /nfs/dbraw/zinc/93/41/57/557934157.db2.gz HODPRSDVHUDDGL-HNNXBMFYSA-N 0 2 364.398 2.491 20 5 FEBDLN O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)c1ccco1 ZINC000374860901 557942152 /nfs/dbraw/zinc/94/21/52/557942152.db2.gz HHZOWOVCZIHAHJ-GFCCVEGCSA-N 0 2 373.365 2.176 20 5 FEBDLN O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)c1ccco1 ZINC000374860902 557942297 /nfs/dbraw/zinc/94/22/97/557942297.db2.gz HHZOWOVCZIHAHJ-LBPRGKRZSA-N 0 2 373.365 2.176 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000524146847 562224635 /nfs/dbraw/zinc/22/46/35/562224635.db2.gz GFJLDABIABWTRL-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412322938 559027824 /nfs/dbraw/zinc/02/78/24/559027824.db2.gz GGWGXHXHQSLGAQ-UONOGXRCSA-N 0 2 373.413 2.393 20 5 FEBDLN O=C(CCCc1ccccc1)NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000424956821 559681284 /nfs/dbraw/zinc/68/12/84/559681284.db2.gz XJFCQCSFFJAMTK-UHFFFAOYSA-N 0 2 371.393 2.169 20 5 FEBDLN COC(=O)[C@@](C)(NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000428569931 559778615 /nfs/dbraw/zinc/77/86/15/559778615.db2.gz VAEQITNYPFJFOW-KRWDZBQOSA-N 0 2 362.313 2.258 20 5 FEBDLN Cc1nc([C@@](C)(NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C2CC2)no1 ZINC000432274270 559855205 /nfs/dbraw/zinc/85/52/05/559855205.db2.gz ITWMVULDQTYMJW-AWEZNQCLSA-N 0 2 370.362 2.029 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000434311181 559897853 /nfs/dbraw/zinc/89/78/53/559897853.db2.gz FKYNHGCNGUFARZ-ZDUSSCGKSA-N 0 2 362.313 2.126 20 5 FEBDLN CCOc1ccncc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000436477888 559942478 /nfs/dbraw/zinc/94/24/78/559942478.db2.gz NDXJLLQYLOZDQV-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCO[C@@H](COc2ccccc2)C1 ZINC000436523824 559944212 /nfs/dbraw/zinc/94/42/12/559944212.db2.gz CQMRIJZZVCJGOI-OAHLLOKOSA-N 0 2 358.350 2.220 20 5 FEBDLN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639142 559947328 /nfs/dbraw/zinc/94/73/28/559947328.db2.gz NNAVXVWWWXPSEX-UHFFFAOYSA-N 0 2 356.338 2.472 20 5 FEBDLN COCCN(Cc1scnc1C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436821614 559953059 /nfs/dbraw/zinc/95/30/59/559953059.db2.gz LXVIRSMPIBISBF-UHFFFAOYSA-N 0 2 351.384 2.354 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1N1CCNC1=O ZINC000436823970 559953241 /nfs/dbraw/zinc/95/32/41/559953241.db2.gz YBYBQPGOUGULOO-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc2c(c1)NC(=O)CO2 ZINC000436859429 559954777 /nfs/dbraw/zinc/95/47/77/559954777.db2.gz KUKVWSHZHUBVFW-VIFPVBQESA-N 0 2 357.322 2.122 20 5 FEBDLN O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436871637 559955199 /nfs/dbraw/zinc/95/51/99/559955199.db2.gz QXQQIDJZVYQMQE-QAPCUYQASA-N 0 2 360.341 2.336 20 5 FEBDLN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436951199 559957366 /nfs/dbraw/zinc/95/73/66/559957366.db2.gz FEHXYXQRYLPHID-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000436971396 559957903 /nfs/dbraw/zinc/95/79/03/559957903.db2.gz ONONRVLPDJYICK-OLZOCXBDSA-N 0 2 352.412 2.427 20 5 FEBDLN CCOC(=O)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cccc(O)c1 ZINC000436972838 559958147 /nfs/dbraw/zinc/95/81/47/559958147.db2.gz QGVFNJSQRKPAHN-OAHLLOKOSA-N 0 2 360.322 2.040 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)cc1 ZINC000436980995 559958234 /nfs/dbraw/zinc/95/82/34/559958234.db2.gz BCHLHDUPQRZHSB-OAHLLOKOSA-N 0 2 358.350 2.295 20 5 FEBDLN O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436999838 559959158 /nfs/dbraw/zinc/95/91/58/559959158.db2.gz RYPKHWBKDCCJGY-ZFWWWQNUSA-N 0 2 366.320 2.268 20 5 FEBDLN CC(=O)c1ccc(O)c(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])c1 ZINC000437007520 559959445 /nfs/dbraw/zinc/95/94/45/559959445.db2.gz ZEUYNCQTYTYBOM-UHFFFAOYSA-N 0 2 364.379 2.487 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cn1C ZINC000439564297 559996916 /nfs/dbraw/zinc/99/69/16/559996916.db2.gz CPNMLJGAOBOIDJ-UHFFFAOYSA-N 0 2 373.774 2.174 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000456975343 560541584 /nfs/dbraw/zinc/54/15/84/560541584.db2.gz HMHFOMJZBGRKMV-LSDHHAIUSA-N 0 2 370.361 2.329 20 5 FEBDLN CCOc1cccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000457018514 560544330 /nfs/dbraw/zinc/54/43/30/560544330.db2.gz JXIWMPLSQPRGAC-UHFFFAOYSA-N 0 2 360.366 2.334 20 5 FEBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000532110757 562467340 /nfs/dbraw/zinc/46/73/40/562467340.db2.gz PRCXNONNQDXHIK-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000535137614 562551705 /nfs/dbraw/zinc/55/17/05/562551705.db2.gz KPXHACKELSKBCP-UHFFFAOYSA-N 0 2 366.327 2.193 20 5 FEBDLN O=C(CN1C(=O)CSc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000535515684 562560317 /nfs/dbraw/zinc/56/03/17/562560317.db2.gz DEVQWWUWFQJGDY-UHFFFAOYSA-N 0 2 359.363 2.378 20 5 FEBDLN O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000535515257 562560333 /nfs/dbraw/zinc/56/03/33/562560333.db2.gz BBXDZDYSMURISH-UHFFFAOYSA-N 0 2 370.770 2.366 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808124363 674442817 /nfs/dbraw/zinc/44/28/17/674442817.db2.gz RGUFHPPCARIMLN-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN O=C([O-])c1ccnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000740244926 600431384 /nfs/dbraw/zinc/43/13/84/600431384.db2.gz QZQQDVWVNNYFTN-UHFFFAOYSA-N 0 2 353.294 2.126 20 5 FEBDLN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000833193809 601800458 /nfs/dbraw/zinc/80/04/58/601800458.db2.gz LEGGBPZWXYUKAR-INIZCTEOSA-N 0 2 352.350 2.483 20 5 FEBDLN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000833193809 601800460 /nfs/dbraw/zinc/80/04/60/601800460.db2.gz LEGGBPZWXYUKAR-INIZCTEOSA-N 0 2 352.350 2.483 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830532105 603716599 /nfs/dbraw/zinc/71/65/99/603716599.db2.gz LZGFAJQCLKCBBC-RISCZKNCSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830532105 603716604 /nfs/dbraw/zinc/71/66/04/603716604.db2.gz LZGFAJQCLKCBBC-RISCZKNCSA-N 0 2 364.402 2.210 20 5 FEBDLN CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1(C(=O)[O-])CCCC1 ZINC000830523700 604711724 /nfs/dbraw/zinc/71/17/24/604711724.db2.gz POGJBPBLNIUGSH-UHFFFAOYSA-N 0 2 358.354 2.250 20 5 FEBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000811833237 674632560 /nfs/dbraw/zinc/63/25/60/674632560.db2.gz SWNZFIVGPPZXJI-UHFFFAOYSA-N 0 2 371.737 2.231 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000609128709 675911057 /nfs/dbraw/zinc/91/10/57/675911057.db2.gz ZWVKTGATQIRLRM-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000579230660 671721126 /nfs/dbraw/zinc/72/11/26/671721126.db2.gz RAPDNXKXHITSSY-AWEZNQCLSA-N 0 2 351.384 2.310 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH2+][C@@H](c2ccncc2)C1 ZINC000579596962 671747295 /nfs/dbraw/zinc/74/72/95/671747295.db2.gz RZCSOBXKSHFVAT-CYBMUJFWSA-N 0 2 362.773 2.136 20 5 FEBDLN O=[N+]([O-])c1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000123743851 671984516 /nfs/dbraw/zinc/98/45/16/671984516.db2.gz QCGUHVSMPYBOIZ-UHFFFAOYSA-N 0 2 355.303 2.121 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000172891219 672345466 /nfs/dbraw/zinc/34/54/66/672345466.db2.gz WYXZJXKSEGYQPE-UHFFFAOYSA-N 0 2 371.321 2.081 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)ccc1C(N)=O ZINC000172892836 672345557 /nfs/dbraw/zinc/34/55/57/672345557.db2.gz COLFBKMUUCZJNU-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN O=[N+]([O-])c1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000195019721 672773553 /nfs/dbraw/zinc/77/35/53/672773553.db2.gz BNFDCVGSLZUMMI-UHFFFAOYSA-N 0 2 355.303 2.121 20 5 FEBDLN COC(=O)c1ccc(OC)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000619667912 676390094 /nfs/dbraw/zinc/39/00/94/676390094.db2.gz ITLMDUZEGUPKFN-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(NCCc1n[nH]c(=S)o1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000841426153 680880555 /nfs/dbraw/zinc/88/05/55/680880555.db2.gz IJXLUXQIJQJCMV-UHFFFAOYSA-N 0 2 362.289 2.258 20 5 FEBDLN COCCOc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768883741 680963382 /nfs/dbraw/zinc/96/33/82/680963382.db2.gz WWCOPHHRBCDWON-UHFFFAOYSA-N 0 2 358.397 2.482 20 5 FEBDLN CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000862708237 683624950 /nfs/dbraw/zinc/62/49/50/683624950.db2.gz DTSDSXYGGNQNDR-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000066410301 541314098 /nfs/dbraw/zinc/31/40/98/541314098.db2.gz DBVYCVHOKRKQBP-UHFFFAOYSA-N 0 2 365.396 2.253 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000014256237 220121111 /nfs/dbraw/zinc/12/11/11/220121111.db2.gz YHURSVGJEJPGHK-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN O=C(OCc1ccno1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801384972 674125112 /nfs/dbraw/zinc/12/51/12/674125112.db2.gz LDDVITGPPQJEJK-UHFFFAOYSA-N 0 2 364.701 2.485 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cn2)cc1[N+](=O)[O-] ZINC000191902869 328287658 /nfs/dbraw/zinc/28/76/58/328287658.db2.gz FRFKRADFULUFCW-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000080327301 325128032 /nfs/dbraw/zinc/12/80/32/325128032.db2.gz JKDRJSRBDYZVOQ-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1C ZINC000116710471 326030732 /nfs/dbraw/zinc/03/07/32/326030732.db2.gz IHUYLEILAMSFAB-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130389011 326556153 /nfs/dbraw/zinc/55/61/53/326556153.db2.gz DVXMVELCQQKPGA-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CCc1noc(CC)c1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000156042349 326815424 /nfs/dbraw/zinc/81/54/24/326815424.db2.gz UTFHZDNWDBDWKU-UHFFFAOYSA-N 0 2 357.363 2.325 20 5 FEBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000267643326 329346195 /nfs/dbraw/zinc/34/61/95/329346195.db2.gz JUDPQKRCESCJPJ-UHFFFAOYSA-N 0 2 373.372 2.279 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000267655323 329347141 /nfs/dbraw/zinc/34/71/41/329347141.db2.gz LYSOFPBXJZQMFZ-UHFFFAOYSA-N 0 2 358.401 2.379 20 5 FEBDLN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000269580543 329532137 /nfs/dbraw/zinc/53/21/37/329532137.db2.gz KKRXHFNMMHDAJL-GFCCVEGCSA-N 0 2 352.412 2.475 20 5 FEBDLN Cc1nnc([C@@H]2CC23CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC3)o1 ZINC000367240121 330234791 /nfs/dbraw/zinc/23/47/91/330234791.db2.gz WCORPZWYPIOADO-ZDUSSCGKSA-N 0 2 358.354 2.402 20 5 FEBDLN Cc1ccc2[nH+]c(C[N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cn2c1 ZINC000554238451 674309132 /nfs/dbraw/zinc/30/91/32/674309132.db2.gz ISFOLCNSPFFWPL-UHFFFAOYSA-N 0 2 364.358 2.169 20 5 FEBDLN O=C(CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)N1CCCC1 ZINC000157578805 545757027 /nfs/dbraw/zinc/75/70/27/545757027.db2.gz CJJSQTIJSJRWKQ-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000481862134 561244106 /nfs/dbraw/zinc/24/41/06/561244106.db2.gz KCQQOURZFVEVSI-ZDUSSCGKSA-N 0 2 352.372 2.279 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000481946698 561246060 /nfs/dbraw/zinc/24/60/60/561246060.db2.gz VVFIQKSGQCPEGF-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000483440495 561277244 /nfs/dbraw/zinc/27/72/44/561277244.db2.gz GUZCIBWWSIPXOJ-SNVBAGLBSA-N 0 2 359.313 2.431 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000181860159 547393462 /nfs/dbraw/zinc/39/34/62/547393462.db2.gz DDYFOSSCXUPASH-GFCCVEGCSA-N 0 2 367.365 2.363 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000181944010 547409463 /nfs/dbraw/zinc/40/94/63/547409463.db2.gz GTGFEADXFOBTMZ-STQMWFEESA-N 0 2 363.414 2.457 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000194634910 548509285 /nfs/dbraw/zinc/50/92/85/548509285.db2.gz GDNXSBLQDQILRO-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000272399804 550444339 /nfs/dbraw/zinc/44/43/39/550444339.db2.gz MQXKFMQWVOKZSR-YJBOKZPZSA-N 0 2 372.377 2.265 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c(C)c1 ZINC000494404429 561468944 /nfs/dbraw/zinc/46/89/44/561468944.db2.gz PMDZQBADWZEKLL-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c(Cl)c1 ZINC000278392096 550780350 /nfs/dbraw/zinc/78/03/50/550780350.db2.gz MYPYIOVIBAZEAE-VIFPVBQESA-N 0 2 374.762 2.284 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278895310 550833312 /nfs/dbraw/zinc/83/33/12/550833312.db2.gz QDZDWHITPTWABE-ZDUSSCGKSA-N 0 2 366.399 2.289 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000280187661 550969369 /nfs/dbraw/zinc/96/93/69/550969369.db2.gz CUJSYGUZIQYCBO-LLVKDONJSA-N 0 2 366.399 2.321 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000280222412 550972873 /nfs/dbraw/zinc/97/28/73/550972873.db2.gz GMULSOCYVNSYJI-NSHDSACASA-N 0 2 366.399 2.321 20 5 FEBDLN Cc1nc(CN2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)cs1 ZINC000280720429 551024997 /nfs/dbraw/zinc/02/49/97/551024997.db2.gz HNKPSBVJGIEQJU-UHFFFAOYSA-N 0 2 362.411 2.023 20 5 FEBDLN CCCCN(C)C(=O)C1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280974427 551050822 /nfs/dbraw/zinc/05/08/22/551050822.db2.gz OTKPESIZZYRCHS-UHFFFAOYSA-N 0 2 363.414 2.411 20 5 FEBDLN Cc1c(NC(=O)c2cccc(O)c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000500244359 561568616 /nfs/dbraw/zinc/56/86/16/561568616.db2.gz FUKPNGPRGDDBFU-UHFFFAOYSA-N 0 2 368.349 2.351 20 5 FEBDLN CCOc1ccc(NS(=O)(=O)c2cncc(OC)c2)c([N+](=O)[O-])c1 ZINC000500484650 561574787 /nfs/dbraw/zinc/57/47/87/561574787.db2.gz HCRLUIFQSVPIKQ-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)s1 ZINC000500757703 561581403 /nfs/dbraw/zinc/58/14/03/561581403.db2.gz JBNYZAHVGFISTD-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298636912 553452554 /nfs/dbraw/zinc/45/25/54/553452554.db2.gz BCAXDUQLDIQQKD-UHFFFAOYSA-N 0 2 372.337 2.241 20 5 FEBDLN Cc1cc(C(=O)N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c(C)o1 ZINC000330580036 554140881 /nfs/dbraw/zinc/14/08/81/554140881.db2.gz PUUIDGZMBBRNOP-UHFFFAOYSA-N 0 2 373.365 2.108 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@@]1(C(F)(F)F)CCOC1 ZINC000508098047 561751473 /nfs/dbraw/zinc/75/14/73/561751473.db2.gz SBFFNTJDLBSYCM-JTQLQIEISA-N 0 2 374.724 2.248 20 5 FEBDLN O=C(NCCc1ccn(-c2ccccc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000509087311 561784171 /nfs/dbraw/zinc/78/41/71/561784171.db2.gz YHOJXXSFUNOENH-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN Cc1nn(Cc2ccc(C(=O)N=c3cccn[nH]3)cc2)c(C)c1[N+](=O)[O-] ZINC000609861078 554430894 /nfs/dbraw/zinc/43/08/94/554430894.db2.gz MRXUVBJFVAEPMR-UHFFFAOYSA-N 0 2 352.354 2.499 20 5 FEBDLN CNC(=O)CCOc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000510331805 561831702 /nfs/dbraw/zinc/83/17/02/561831702.db2.gz MPTCUDBRRATOIZ-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(-c3cnc(OCC(F)F)cn3)no2)cc1O ZINC000349628907 554734421 /nfs/dbraw/zinc/73/44/21/554734421.db2.gz ALDWIIRRKMOKCN-UHFFFAOYSA-N 0 2 365.252 2.451 20 5 FEBDLN CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000361178782 554908147 /nfs/dbraw/zinc/90/81/47/554908147.db2.gz GYTUSUKZYOYGDH-HNNXBMFYSA-N 0 2 359.430 2.414 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)c([N+](=O)[O-])c1 ZINC000516599618 562050100 /nfs/dbraw/zinc/05/01/00/562050100.db2.gz ALTYLNVICFJNFV-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@]2(CCCOC2)O1 ZINC000373523993 557710969 /nfs/dbraw/zinc/71/09/69/557710969.db2.gz XAZCATJFUHQWQJ-KRWDZBQOSA-N 0 2 350.371 2.101 20 5 FEBDLN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375664903 558064324 /nfs/dbraw/zinc/06/43/24/558064324.db2.gz PLJINAOQJQIQME-LBPRGKRZSA-N 0 2 359.386 2.493 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000376050422 558119403 /nfs/dbraw/zinc/11/94/03/558119403.db2.gz MRXRKCJEPDTYCP-UHFFFAOYSA-N 0 2 365.349 2.256 20 5 FEBDLN O=C(CCNc1ccccc1[N+](=O)[O-])Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000526956799 562270681 /nfs/dbraw/zinc/27/06/81/562270681.db2.gz TYSWWXJOPKSTCD-UHFFFAOYSA-N 0 2 369.337 2.379 20 5 FEBDLN CCc1onc(C)c1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416959984 559340400 /nfs/dbraw/zinc/34/04/00/559340400.db2.gz QIZUVKCGFALWQF-UHFFFAOYSA-N 0 2 369.355 2.041 20 5 FEBDLN O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436713863 559949768 /nfs/dbraw/zinc/94/97/68/559949768.db2.gz KKGUWJXJMVCPCC-UHFFFAOYSA-N 0 2 373.296 2.345 20 5 FEBDLN CCS(=O)(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436777218 559951658 /nfs/dbraw/zinc/95/16/58/559951658.db2.gz LXWSGDZAXVPWOA-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN O=C(NCc1nc(-c2cccc(F)c2)no1)c1cc([N+](=O)[O-])ccc1O ZINC000436817153 559953106 /nfs/dbraw/zinc/95/31/06/559953106.db2.gz WHINEYKJNNGGBJ-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN O=C(NC1CC1)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000436951909 559957347 /nfs/dbraw/zinc/95/73/47/559957347.db2.gz HCZKGLKMZMSCER-UHFFFAOYSA-N 0 2 355.350 2.123 20 5 FEBDLN O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436967902 559957926 /nfs/dbraw/zinc/95/79/26/559957926.db2.gz ZONDUHMXKFGIRF-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN CCNC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436972705 559958000 /nfs/dbraw/zinc/95/80/00/559958000.db2.gz PKIRGQMQUZXNRA-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN Cc1ccc(C(=O)NCCC(=O)Nc2cc([N+](=O)[O-])ccc2O)c(O)c1 ZINC000436974800 559958052 /nfs/dbraw/zinc/95/80/52/559958052.db2.gz BYRXGHATVYOOLF-UHFFFAOYSA-N 0 2 359.338 2.073 20 5 FEBDLN O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)NCc1cccc(F)c1 ZINC000445748128 560134665 /nfs/dbraw/zinc/13/46/65/560134665.db2.gz BSCLAUYKTPKELB-UHFFFAOYSA-N 0 2 372.312 2.348 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000446966387 560154396 /nfs/dbraw/zinc/15/43/96/560154396.db2.gz QIRSHKQJYDNCCG-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CCN(CC(F)(F)F)CC1 ZINC000456932839 560538999 /nfs/dbraw/zinc/53/89/99/560538999.db2.gz JNNGQIYAZKGKPW-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2ccncc2)nn1C ZINC000462379999 560808008 /nfs/dbraw/zinc/80/80/08/560808008.db2.gz JQPKGPQREHACIQ-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000463464807 560815952 /nfs/dbraw/zinc/81/59/52/560815952.db2.gz PVQWVVMBMSQICW-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000466354664 560884869 /nfs/dbraw/zinc/88/48/69/560884869.db2.gz ZPTSDTUOCPFXOS-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000468902992 560941886 /nfs/dbraw/zinc/94/18/86/560941886.db2.gz HOGLAIJEDUUDQY-NSHDSACASA-N 0 2 374.349 2.343 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000470660421 560986963 /nfs/dbraw/zinc/98/69/63/560986963.db2.gz RUEZXWDIHZAPAR-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)c([N+](=O)[O-])c1 ZINC000475812961 561106074 /nfs/dbraw/zinc/10/60/74/561106074.db2.gz GIOAEQVGYOLMST-UHFFFAOYSA-N 0 2 366.399 2.393 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000532025405 562464490 /nfs/dbraw/zinc/46/44/90/562464490.db2.gz OJOGMJVEHKDVTH-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN O=C([O-])C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000532875724 562491447 /nfs/dbraw/zinc/49/14/47/562491447.db2.gz FMUKYINZRMNLGZ-LBPRGKRZSA-N 0 2 358.354 2.107 20 5 FEBDLN O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000534800591 562542563 /nfs/dbraw/zinc/54/25/63/562542563.db2.gz QNFIXXRFLAQDSC-UHFFFAOYSA-N 0 2 371.349 2.445 20 5 FEBDLN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000535516904 562560331 /nfs/dbraw/zinc/56/03/31/562560331.db2.gz QDHURBJMOXGPHS-NSHDSACASA-N 0 2 371.349 2.443 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000569028477 568275818 /nfs/dbraw/zinc/27/58/18/568275818.db2.gz KXALPJSGOFPXMV-MRVPVSSYSA-N 0 2 351.750 2.092 20 5 FEBDLN COc1ccc(-c2ccc(C[N@@H+]3CCO[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000820805131 598124310 /nfs/dbraw/zinc/12/43/10/598124310.db2.gz IWCUNVNMRANMRA-INIZCTEOSA-N 0 2 362.338 2.149 20 5 FEBDLN COc1ccc(-c2ccc(C[N@H+]3CCO[C@H](C(=O)[O-])C3)o2)c([N+](=O)[O-])c1 ZINC000820805131 598124311 /nfs/dbraw/zinc/12/43/11/598124311.db2.gz IWCUNVNMRANMRA-INIZCTEOSA-N 0 2 362.338 2.149 20 5 FEBDLN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC2 ZINC000739279148 600292926 /nfs/dbraw/zinc/29/29/26/600292926.db2.gz VHUQEEKPYUFCOG-NSHDSACASA-N 0 2 367.789 2.373 20 5 FEBDLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C(=O)[O-])cc1 ZINC000832252724 601005302 /nfs/dbraw/zinc/00/53/02/601005302.db2.gz RGIZOQNJKCOVKY-KRWDZBQOSA-N 0 2 373.365 2.266 20 5 FEBDLN O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826401753 608166597 /nfs/dbraw/zinc/16/65/97/608166597.db2.gz GAKRAKHQDTYBNB-YVMONPNESA-N 0 2 352.310 2.132 20 5 FEBDLN O=C(C=Cc1ccccc1-c1nn[nH]n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826401752 608166911 /nfs/dbraw/zinc/16/69/11/608166911.db2.gz GAKRAKHQDTYBNB-VMPITWQZSA-N 0 2 352.310 2.132 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)sc1C ZINC000079283027 670603235 /nfs/dbraw/zinc/60/32/35/670603235.db2.gz XWGYYHKOXHSCQF-UHFFFAOYSA-N 0 2 357.413 2.732 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1scnc1C1CC1 ZINC000089816646 670706623 /nfs/dbraw/zinc/70/66/23/670706623.db2.gz AUBMJYIEIXIVRB-UHFFFAOYSA-N 0 2 356.367 2.966 20 5 FEBDLN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221907 675195344 /nfs/dbraw/zinc/19/53/44/675195344.db2.gz QXMRIBGXZGZGGS-VHSXEESVSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221907 675195346 /nfs/dbraw/zinc/19/53/46/675195346.db2.gz QXMRIBGXZGZGGS-VHSXEESVSA-N 0 2 355.778 2.372 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)c1F ZINC000120819753 671936149 /nfs/dbraw/zinc/93/61/49/671936149.db2.gz RTYVZBPBKOUNTH-UHFFFAOYSA-N 0 2 371.321 2.081 20 5 FEBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000130682092 672078634 /nfs/dbraw/zinc/07/86/34/672078634.db2.gz REENXJKFEMYTCY-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)cc1C(N)=O ZINC000172891687 672345525 /nfs/dbraw/zinc/34/55/25/672345525.db2.gz CPTJLEHQOJYQBZ-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN CO[C@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC1 ZINC000592352245 672790482 /nfs/dbraw/zinc/79/04/82/672790482.db2.gz WUBHHNLEQACPAP-CQSZACIVSA-N 0 2 366.399 2.152 20 5 FEBDLN CO[C@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC1 ZINC000592352245 672790487 /nfs/dbraw/zinc/79/04/87/672790487.db2.gz WUBHHNLEQACPAP-CQSZACIVSA-N 0 2 366.399 2.152 20 5 FEBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3cscn3)CC2)c1 ZINC000592972007 672860266 /nfs/dbraw/zinc/86/02/66/672860266.db2.gz IBJIAUHNLPRVMT-UHFFFAOYSA-N 0 2 362.411 2.462 20 5 FEBDLN O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[N@@H+](Cc3cscn3)CC2)c1 ZINC000592972007 672860271 /nfs/dbraw/zinc/86/02/71/672860271.db2.gz IBJIAUHNLPRVMT-UHFFFAOYSA-N 0 2 362.411 2.462 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cn1 ZINC000542723229 673599845 /nfs/dbraw/zinc/59/98/45/673599845.db2.gz KNYAKMFUNZTCNB-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000542933717 673616160 /nfs/dbraw/zinc/61/61/60/673616160.db2.gz WEDQMQFKOOKKLM-UHFFFAOYSA-N 0 2 354.340 2.338 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000614271661 676167847 /nfs/dbraw/zinc/16/78/47/676167847.db2.gz APMKXRJUTJOYFW-SNVBAGLBSA-N 0 2 364.379 2.446 20 5 FEBDLN COC(=O)CCCONC(=O)CSc1ccc(Cl)cc1[N+](=O)[O-] ZINC000819932292 675325413 /nfs/dbraw/zinc/32/54/13/675325413.db2.gz JFIDTBLLCRJRAA-UHFFFAOYSA-N 0 2 362.791 2.341 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(CC(C)(C)C)o1 ZINC000619507690 676382746 /nfs/dbraw/zinc/38/27/46/676382746.db2.gz CFZHVNXGYRAGNB-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000768865690 680962355 /nfs/dbraw/zinc/96/23/55/680962355.db2.gz LGFADTVEQQDBFB-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000769670732 680991129 /nfs/dbraw/zinc/99/11/29/680991129.db2.gz HCPKMQSBAKRXPW-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773918788 681160192 /nfs/dbraw/zinc/16/01/92/681160192.db2.gz MPPSNYGOYCBPPW-SNAWJCMRSA-N 0 2 351.359 2.111 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000782261719 682022437 /nfs/dbraw/zinc/02/24/37/682022437.db2.gz QIQFEEZFHRYPBO-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN CCc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)o1 ZINC000790634665 682690048 /nfs/dbraw/zinc/69/00/48/682690048.db2.gz DMJKZVIWMUBHOM-UHFFFAOYSA-N 0 2 370.343 2.471 20 5 FEBDLN Cc1cc(S(=O)(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000921855208 683595236 /nfs/dbraw/zinc/59/52/36/683595236.db2.gz RRXHZXWBJPXMIJ-IONNQARKSA-N 0 2 374.362 2.210 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765964 686905229 /nfs/dbraw/zinc/90/52/29/686905229.db2.gz JKAXDHXMQZSYHR-AWEZNQCLSA-N 0 2 361.320 2.246 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765964 686905234 /nfs/dbraw/zinc/90/52/34/686905234.db2.gz JKAXDHXMQZSYHR-AWEZNQCLSA-N 0 2 361.320 2.246 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000066247144 541294110 /nfs/dbraw/zinc/29/41/10/541294110.db2.gz AXJGCONRQIQFCS-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN COC[C@@H](C)OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387377 674125195 /nfs/dbraw/zinc/12/51/95/674125195.db2.gz RJOSZGMYBIIHMY-MRVPVSSYSA-N 0 2 355.734 2.331 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1N(C)C ZINC000109424090 543324549 /nfs/dbraw/zinc/32/45/49/543324549.db2.gz KBRUKRJZSDOSJY-UHFFFAOYSA-N 0 2 351.384 2.470 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)ccc1Cl ZINC000131604371 544197717 /nfs/dbraw/zinc/19/77/17/544197717.db2.gz WVAVKOGHQDOBNR-SNVBAGLBSA-N 0 2 372.790 2.207 20 5 FEBDLN COc1ccc([N+](=O)[O-])c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000146393774 544439713 /nfs/dbraw/zinc/43/97/13/544439713.db2.gz KMAODCYGDRXSFE-UHFFFAOYSA-N 0 2 374.378 2.174 20 5 FEBDLN CCCNC(=O)c1cccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000181889274 327751069 /nfs/dbraw/zinc/75/10/69/327751069.db2.gz TVPPIQAQGVRNGG-UHFFFAOYSA-N 0 2 357.366 2.370 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nnc3ccccn32)CC1 ZINC000184603764 327875129 /nfs/dbraw/zinc/87/51/29/327875129.db2.gz KROCEPBTPBXRBO-UHFFFAOYSA-N 0 2 367.365 2.363 20 5 FEBDLN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000185742467 327930763 /nfs/dbraw/zinc/93/07/63/327930763.db2.gz BBZLYMSKTISSHK-AWEZNQCLSA-N 0 2 369.377 2.079 20 5 FEBDLN CCc1cc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)ncn1 ZINC000186118026 327947661 /nfs/dbraw/zinc/94/76/61/327947661.db2.gz DSKUJHLLFWXCKD-CYBMUJFWSA-N 0 2 371.397 2.052 20 5 FEBDLN O=C(NCc1cccc(CN2CCCC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031993856 324473157 /nfs/dbraw/zinc/47/31/57/324473157.db2.gz DSPPJNVDHJIXON-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC000125076521 326464922 /nfs/dbraw/zinc/46/49/22/326464922.db2.gz KGRSRZKAURQUMY-UHFFFAOYSA-N 0 2 369.424 2.136 20 5 FEBDLN COc1ccc(N2C[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3O)CC2=O)cc1 ZINC000170554702 327089168 /nfs/dbraw/zinc/08/91/68/327089168.db2.gz QUHQCTHBKNROKX-NSHDSACASA-N 0 2 371.349 2.301 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000172905140 327225694 /nfs/dbraw/zinc/22/56/94/327225694.db2.gz RNVLUUBMMUHYNZ-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN C[C@@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000262988804 328906285 /nfs/dbraw/zinc/90/62/85/328906285.db2.gz LGIKWHLCIBROIC-IAQYHMDHSA-N 0 2 358.354 2.106 20 5 FEBDLN CC(C)COC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000263716886 328955587 /nfs/dbraw/zinc/95/55/87/328955587.db2.gz RKCUVBUVKUCHSZ-UHFFFAOYSA-N 0 2 365.386 2.241 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)s1 ZINC000267598619 329341812 /nfs/dbraw/zinc/34/18/12/329341812.db2.gz AHPYFOUILRHMSO-UHFFFAOYSA-N 0 2 358.401 2.208 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)oc1C ZINC000274901127 329990990 /nfs/dbraw/zinc/99/09/90/329990990.db2.gz PPBGPRDUPCEYED-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557873 674366529 /nfs/dbraw/zinc/36/65/29/674366529.db2.gz GEYINTBAVCTSEA-SNVBAGLBSA-N 0 2 365.777 2.021 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1[N+](=O)[O-] ZINC000160264249 546024145 /nfs/dbraw/zinc/02/41/45/546024145.db2.gz FIELBKVYGRZZTH-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000482288080 561252014 /nfs/dbraw/zinc/25/20/14/561252014.db2.gz TVAZOXRLKKJKQR-NSHDSACASA-N 0 2 366.320 2.160 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-n2cncn2)cc1 ZINC000184601341 547852315 /nfs/dbraw/zinc/85/23/15/547852315.db2.gz VZMBYKJRCMNSOJ-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc2c1CCCC2 ZINC000185720775 548025280 /nfs/dbraw/zinc/02/52/80/548025280.db2.gz YMHFPWGMLYPOHF-UHFFFAOYSA-N 0 2 354.413 2.434 20 5 FEBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000268788314 550116268 /nfs/dbraw/zinc/11/62/68/550116268.db2.gz LBMKVUVAYBECSL-SNVBAGLBSA-N 0 2 356.791 2.327 20 5 FEBDLN COC(=O)c1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)c1 ZINC000492964732 561453734 /nfs/dbraw/zinc/45/37/34/561453734.db2.gz XODCXXJCQVQOEW-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC000278453475 550787856 /nfs/dbraw/zinc/78/78/56/550787856.db2.gz YJCYIYWFTXNRTD-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000278805738 550824001 /nfs/dbraw/zinc/82/40/01/550824001.db2.gz HXBGAOLUZJDGHW-CYBMUJFWSA-N 0 2 366.399 2.289 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(C(C)C)nc1 ZINC000279958689 550947030 /nfs/dbraw/zinc/94/70/30/550947030.db2.gz ZXOYUSQLKFPLAO-UHFFFAOYSA-N 0 2 352.372 2.318 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc([C@@H]2CCCOC2)n[nH]1 ZINC000280275045 550975983 /nfs/dbraw/zinc/97/59/83/550975983.db2.gz LFABKFWCBYHRMF-LLVKDONJSA-N 0 2 366.399 2.154 20 5 FEBDLN O=c1[nH]nc([C@H]2CCCN(c3ccc([N+](=O)[O-])c(OC(F)F)c3)C2)o1 ZINC000285463314 551760201 /nfs/dbraw/zinc/76/02/01/551760201.db2.gz BNTXZVGGIKXEKR-QMMMGPOBSA-N 0 2 356.285 2.257 20 5 FEBDLN COC[C@@]1(CNC(=O)c2cccc(O)c2[N+](=O)[O-])OCCc2ccccc21 ZINC000292875397 552767636 /nfs/dbraw/zinc/76/76/36/552767636.db2.gz ZVAQBHNMHRIJMT-LJQANCHMSA-N 0 2 372.377 2.145 20 5 FEBDLN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506363179 561696617 /nfs/dbraw/zinc/69/66/17/561696617.db2.gz LUASJGPTRZORSF-HNNXBMFYSA-N 0 2 353.338 2.132 20 5 FEBDLN NC(=O)c1cc(=NC(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)[nH][nH]1 ZINC000610872388 554573296 /nfs/dbraw/zinc/57/32/96/554573296.db2.gz QMAMUJPJGFCVAB-UHFFFAOYSA-N 0 2 366.337 2.413 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(CN2CCCCC2=O)CC1 ZINC000364782896 555401416 /nfs/dbraw/zinc/40/14/16/555401416.db2.gz JHDONMMJGHIPON-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CC(=O)Nc1cccc2c1CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C2 ZINC000364788330 555403397 /nfs/dbraw/zinc/40/33/97/555403397.db2.gz MWGNTLMMGOHTOM-UHFFFAOYSA-N 0 2 355.350 2.457 20 5 FEBDLN Cc1n[nH]c(C2CC[NH+]([C@@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365108041 555487111 /nfs/dbraw/zinc/48/71/11/555487111.db2.gz AKDGYYAWDUCBNV-NSHDSACASA-N 0 2 358.402 2.228 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000368380458 556293040 /nfs/dbraw/zinc/29/30/40/556293040.db2.gz MVIAYBYYMCNZIA-UHFFFAOYSA-N 0 2 368.392 2.085 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(c2ccccn2)CC1 ZINC000368926578 556450277 /nfs/dbraw/zinc/45/02/77/556450277.db2.gz YFPLIYJOOVNZHA-UHFFFAOYSA-N 0 2 356.382 2.436 20 5 FEBDLN O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000516007058 562027823 /nfs/dbraw/zinc/02/78/23/562027823.db2.gz YMTAFQBOPBCQJA-UHFFFAOYSA-N 0 2 366.333 2.158 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cn(C)nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000370537231 556902830 /nfs/dbraw/zinc/90/28/30/556902830.db2.gz BWWRGGKBQGXHCB-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COc1ccc(CC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1[N+](=O)[O-] ZINC000519778607 562143606 /nfs/dbraw/zinc/14/36/06/562143606.db2.gz MPEHELBRZDTBBM-UHFFFAOYSA-N 0 2 369.337 2.275 20 5 FEBDLN COc1ccc(C2=NO[C@H](CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cc1 ZINC000374865977 557943119 /nfs/dbraw/zinc/94/31/19/557943119.db2.gz XXJNWXNFQHLQGQ-AWEZNQCLSA-N 0 2 371.349 2.232 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000375460720 558031288 /nfs/dbraw/zinc/03/12/88/558031288.db2.gz PXWUXQDHLRFGCV-UHFFFAOYSA-N 0 2 360.374 2.447 20 5 FEBDLN CN1C(=O)C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376118146 558129044 /nfs/dbraw/zinc/12/90/44/558129044.db2.gz QVJUXIAXGCCOMN-PBHICJAKSA-N 0 2 373.340 2.141 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000523458879 562213489 /nfs/dbraw/zinc/21/34/89/562213489.db2.gz CTJSVCVAALQCSS-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414461522 559165403 /nfs/dbraw/zinc/16/54/03/559165403.db2.gz RZAPTOHRKXWEAR-UHFFFAOYSA-N 0 2 370.456 2.476 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1c(C)nn(COC)c1C ZINC000424066172 559653448 /nfs/dbraw/zinc/65/34/48/559653448.db2.gz NFHLDABJCQWCCD-UHFFFAOYSA-N 0 2 368.415 2.375 20 5 FEBDLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424262805 559659875 /nfs/dbraw/zinc/65/98/75/559659875.db2.gz GRWBUTVWEAKCOU-YMTOWFKASA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C(=O)[O-] ZINC000424262805 559659876 /nfs/dbraw/zinc/65/98/76/559659876.db2.gz GRWBUTVWEAKCOU-YMTOWFKASA-N 0 2 355.778 2.372 20 5 FEBDLN COCCN(Cc1scnc1C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000428013563 559767387 /nfs/dbraw/zinc/76/73/87/559767387.db2.gz YPGVOASSGOWESM-UHFFFAOYSA-N 0 2 351.384 2.354 20 5 FEBDLN NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccc(Cl)c1 ZINC000431934794 559848869 /nfs/dbraw/zinc/84/88/69/559848869.db2.gz FTAVXJMVSUYKOF-GFCCVEGCSA-N 0 2 363.757 2.300 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000436183056 559937049 /nfs/dbraw/zinc/93/70/49/559937049.db2.gz IJCGQCAFHYAMTN-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCc2c(nnn2-c2ccccc2)C1 ZINC000436834355 559953779 /nfs/dbraw/zinc/95/37/79/559953779.db2.gz YVBAAKPXFMFASV-UHFFFAOYSA-N 0 2 365.349 2.080 20 5 FEBDLN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436853429 559954327 /nfs/dbraw/zinc/95/43/27/559954327.db2.gz CPNQGYWRXJKQKV-IBGZPJMESA-N 0 2 370.361 2.257 20 5 FEBDLN CS(=O)(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1F ZINC000436951349 559957184 /nfs/dbraw/zinc/95/71/84/559957184.db2.gz PXAOJKIJOHXJHT-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN COC(=O)CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436957770 559957457 /nfs/dbraw/zinc/95/74/57/559957457.db2.gz XPJCNUWEWHUSAV-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000444061691 560100590 /nfs/dbraw/zinc/10/05/90/560100590.db2.gz DPEBRPMEMDYASD-UHFFFAOYSA-N 0 2 366.311 2.047 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)cnn1[C@H]1CCOC1 ZINC000451099744 560287109 /nfs/dbraw/zinc/28/71/09/560287109.db2.gz NFHGAMCJWQGWBJ-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000455979609 560503053 /nfs/dbraw/zinc/50/30/53/560503053.db2.gz FJEXITOJVRUEGH-UHFFFAOYSA-N 0 2 358.402 2.667 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000456652349 560527448 /nfs/dbraw/zinc/52/74/48/560527448.db2.gz LEZNUXFKUYJYNG-JGGQBBKZSA-N 0 2 374.397 2.424 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1n1cccn1 ZINC000456676389 560528426 /nfs/dbraw/zinc/52/84/26/560528426.db2.gz VFQHQEBWTQXBGC-NUEKZKHPSA-N 0 2 374.397 2.424 20 5 FEBDLN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1O ZINC000458049678 560601038 /nfs/dbraw/zinc/60/10/38/560601038.db2.gz UQNQFFSMBPUDSP-RISCZKNCSA-N 0 2 364.379 2.365 20 5 FEBDLN COc1ccc(OC)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000468791469 560938874 /nfs/dbraw/zinc/93/88/74/560938874.db2.gz CCLNODASSKGPFQ-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN CCOC(=O)c1cc(C(=O)Nc2ccc3nn[nH]c3c2)cc([N+](=O)[O-])c1 ZINC000473931523 561061082 /nfs/dbraw/zinc/06/10/82/561061082.db2.gz HJKSBDBDPWBHPG-UHFFFAOYSA-N 0 2 355.310 2.295 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1S(C)(=O)=O ZINC000476232628 561114042 /nfs/dbraw/zinc/11/40/42/561114042.db2.gz NWIBBDLMGCFNFR-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000535516900 562560396 /nfs/dbraw/zinc/56/03/96/562560396.db2.gz QDHURBJMOXGPHS-LLVKDONJSA-N 0 2 371.349 2.443 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000535655677 562563351 /nfs/dbraw/zinc/56/33/51/562563351.db2.gz PISAEJPJLSCAMQ-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CC(C)(CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000736323283 600942186 /nfs/dbraw/zinc/94/21/86/600942186.db2.gz ACPRSQSSPUXKQG-UHFFFAOYSA-N 0 2 357.794 2.469 20 5 FEBDLN O=C([O-])c1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000833301184 600960147 /nfs/dbraw/zinc/96/01/47/600960147.db2.gz QWROWYUPHMFWJO-INIZCTEOSA-N 0 2 370.365 2.291 20 5 FEBDLN O=C([O-])c1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000833301184 600960149 /nfs/dbraw/zinc/96/01/49/600960149.db2.gz QWROWYUPHMFWJO-INIZCTEOSA-N 0 2 370.365 2.291 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830432125 603716721 /nfs/dbraw/zinc/71/67/21/603716721.db2.gz ABCNOIJBKAVJLI-IUODEOHRSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830432125 603716725 /nfs/dbraw/zinc/71/67/25/603716725.db2.gz ABCNOIJBKAVJLI-IUODEOHRSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830137968 603728456 /nfs/dbraw/zinc/72/84/56/603728456.db2.gz ISJYJZWGEYDPBK-IAQYHMDHSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830137968 603728460 /nfs/dbraw/zinc/72/84/60/603728460.db2.gz ISJYJZWGEYDPBK-IAQYHMDHSA-N 0 2 364.402 2.210 20 5 FEBDLN C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000827767465 604263142 /nfs/dbraw/zinc/26/31/42/604263142.db2.gz APNJKVFRBWNMMJ-ZJUUUORDSA-N 0 2 357.794 2.468 20 5 FEBDLN Cc1ccc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000822232111 607154180 /nfs/dbraw/zinc/15/41/80/607154180.db2.gz UEZSZZRQNNAKMQ-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C[NH+]1CCOCC1 ZINC000565025994 675087832 /nfs/dbraw/zinc/08/78/32/675087832.db2.gz YXGSMCAKMZZCOA-UHFFFAOYSA-N 0 2 371.821 2.137 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cc1C(N)=O ZINC000121325394 671946799 /nfs/dbraw/zinc/94/67/99/671946799.db2.gz OUHDBAJSCBIUEA-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2F)c1 ZINC000134100205 672119536 /nfs/dbraw/zinc/11/95/36/672119536.db2.gz RPGQAQRQBBLGSK-UHFFFAOYSA-N 0 2 367.358 2.203 20 5 FEBDLN COC[C@@](C)([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)[O-] ZINC000583949835 672141831 /nfs/dbraw/zinc/14/18/31/672141831.db2.gz VEXDFZMMXJMAJP-OAHLLOKOSA-N 0 2 351.384 2.298 20 5 FEBDLN Cc1[nH]nc2ncc(NS(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cc12 ZINC000180915173 672419913 /nfs/dbraw/zinc/41/99/13/672419913.db2.gz XRIKVDJDWHYDAI-UHFFFAOYSA-N 0 2 351.319 2.114 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000589652872 672537819 /nfs/dbraw/zinc/53/78/19/672537819.db2.gz RLPLZJFJDREQAO-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN O=C(NC[C@H]1CCCN(CC(F)(F)F)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000590402503 672579392 /nfs/dbraw/zinc/57/93/92/672579392.db2.gz XTADKEOZQCBDCT-SNVBAGLBSA-N 0 2 361.320 2.305 20 5 FEBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000194140568 672749284 /nfs/dbraw/zinc/74/92/84/672749284.db2.gz OEUPVHBGOUKSTM-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H](OC)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000592353327 672790527 /nfs/dbraw/zinc/79/05/27/672790527.db2.gz PLUTTXSACCHKIG-CQSZACIVSA-N 0 2 374.415 2.103 20 5 FEBDLN Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000613455593 676129926 /nfs/dbraw/zinc/12/99/26/676129926.db2.gz OHHNGYBGCLLGJN-UHFFFAOYSA-N 0 2 361.426 2.234 20 5 FEBDLN CC(C)c1[nH]nc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1[N+](=O)[O-] ZINC000535986613 673357271 /nfs/dbraw/zinc/35/72/71/673357271.db2.gz UIVVHGIMTRUTCP-UHFFFAOYSA-N 0 2 359.371 2.029 20 5 FEBDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000543148648 673627725 /nfs/dbraw/zinc/62/77/25/673627725.db2.gz JUGSZFMEYFFJEZ-UHFFFAOYSA-N 0 2 359.795 2.396 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000548450969 673959801 /nfs/dbraw/zinc/95/98/01/673959801.db2.gz UJFRUBOLUGKHAN-QWHCGFSZSA-N 0 2 352.412 2.427 20 5 FEBDLN O=[N+]([O-])c1ccc(F)cc1OS(=O)(=O)c1c[nH]nc1C(F)(F)F ZINC000820753436 675385304 /nfs/dbraw/zinc/38/53/04/675385304.db2.gz GEGQEXAHHDOSIV-UHFFFAOYSA-N 0 2 355.225 2.244 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 ZINC000619467558 676378157 /nfs/dbraw/zinc/37/81/57/676378157.db2.gz OLDWOHLOVIZGGU-QHCPKHFHSA-N 0 2 370.408 2.142 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1C ZINC000619467382 676378210 /nfs/dbraw/zinc/37/82/10/676378210.db2.gz DSNLEEAHZCFZQO-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN Cc1cc(Cl)c(S(=O)(=O)Nc2nc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000830173173 677028601 /nfs/dbraw/zinc/02/86/01/677028601.db2.gz SDDSLFNWTPNNGC-UHFFFAOYSA-N 0 2 371.806 2.285 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000830817083 677062881 /nfs/dbraw/zinc/06/28/81/677062881.db2.gz XLEAJMXBGHTWFS-CYBMUJFWSA-N 0 2 363.267 2.017 20 5 FEBDLN COC(=O)c1cccc(Cc2cnc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])s2)c1 ZINC000839620082 680767248 /nfs/dbraw/zinc/76/72/48/680767248.db2.gz FULZFKLEPKMDMS-CHWSQXEVSA-N 0 2 361.379 2.124 20 5 FEBDLN O=C(Nc1ccnn1Cc1cccc(Br)c1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840312996 680814669 /nfs/dbraw/zinc/81/46/69/680814669.db2.gz RWWBSXAHIZASCS-VXGBXAGGSA-N 0 2 365.187 2.298 20 5 FEBDLN CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000841411763 680879223 /nfs/dbraw/zinc/87/92/23/680879223.db2.gz ZERKZCQOIVVMRY-UHFFFAOYSA-N 0 2 351.359 2.496 20 5 FEBDLN CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000841419544 680879805 /nfs/dbraw/zinc/87/98/05/680879805.db2.gz JVTCRTTVMWEREK-UHFFFAOYSA-N 0 2 351.359 2.496 20 5 FEBDLN COCCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)cn1 ZINC000769631010 680989527 /nfs/dbraw/zinc/98/95/27/680989527.db2.gz QUQBYSOIDBUUIH-UHFFFAOYSA-N 0 2 374.806 2.200 20 5 FEBDLN O=C(NCCNc1ncnc2sccc21)c1ccc([N+](=O)[O-])cc1O ZINC000772255481 681090609 /nfs/dbraw/zinc/09/06/09/681090609.db2.gz NBSSHEJSXTVKGS-UHFFFAOYSA-N 0 2 359.367 2.147 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1[N+](=O)[O-] ZINC000777666007 681519610 /nfs/dbraw/zinc/51/96/10/681519610.db2.gz CTGFYFZXCRBSIA-UHFFFAOYSA-N 0 2 366.355 2.277 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000778404934 681609107 /nfs/dbraw/zinc/60/91/07/681609107.db2.gz XYBDCOJRFJRGIJ-UHFFFAOYSA-N 0 2 361.295 2.466 20 5 FEBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NOCCN1CCCC1=O ZINC000856043110 682737364 /nfs/dbraw/zinc/73/73/64/682737364.db2.gz SSUQOAUMQGLNCA-UHFFFAOYSA-N 0 2 373.818 2.011 20 5 FEBDLN Cc1nnc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000795881216 683103715 /nfs/dbraw/zinc/10/37/15/683103715.db2.gz OLAXASIFVFAQKI-YFKPBYRVSA-N 0 2 364.742 2.118 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000055632815 540666546 /nfs/dbraw/zinc/66/65/46/540666546.db2.gz QINFZPLMJBUERE-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCCO2 ZINC000055685643 540671100 /nfs/dbraw/zinc/67/11/00/540671100.db2.gz RAFRBDWMBAZVBO-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000055548807 221071310 /nfs/dbraw/zinc/07/13/10/221071310.db2.gz KUKWFXCKVDGPIS-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)cc1C ZINC000060442782 221132848 /nfs/dbraw/zinc/13/28/48/221132848.db2.gz CVCNLCGYDQUOSP-UHFFFAOYSA-N 0 2 363.395 2.040 20 5 FEBDLN Cc1nn(C)c2ncc(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc12 ZINC000121954969 543701606 /nfs/dbraw/zinc/70/16/06/543701606.db2.gz DXFUQAVEYMZVNL-UHFFFAOYSA-N 0 2 365.346 2.125 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C2CCOCC2)n[nH]1 ZINC000126904384 543963208 /nfs/dbraw/zinc/96/32/08/543963208.db2.gz DAZRBCCMCUJHPW-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN CN(CCN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000802976726 674212007 /nfs/dbraw/zinc/21/20/07/674212007.db2.gz ZGGVJZAAWJQDMY-UHFFFAOYSA-N 0 2 353.375 2.239 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nncn2C2CC2)C1 ZINC000185573495 327922917 /nfs/dbraw/zinc/92/29/17/327922917.db2.gz DRYMEBZYJMRWKQ-NSHDSACASA-N 0 2 357.370 2.247 20 5 FEBDLN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1O ZINC000185887454 327937610 /nfs/dbraw/zinc/93/76/10/327937610.db2.gz LAVCNKVLGLGRKH-LBPRGKRZSA-N 0 2 355.350 2.115 20 5 FEBDLN CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)C2 ZINC000185992106 327942534 /nfs/dbraw/zinc/94/25/34/327942534.db2.gz BSXBAVHDOTUCQE-UHFFFAOYSA-N 0 2 355.350 2.457 20 5 FEBDLN C[C@H](c1nccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000187522612 328031460 /nfs/dbraw/zinc/03/14/60/328031460.db2.gz UOGUWKIXYVEJDP-LLVKDONJSA-N 0 2 362.411 2.276 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)s1 ZINC000117739645 326068878 /nfs/dbraw/zinc/06/88/78/326068878.db2.gz IORBHBWYLDMXCO-UHFFFAOYSA-N 0 2 351.369 2.242 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCN(c2ccccc2F)C1=O ZINC000157893900 326878576 /nfs/dbraw/zinc/87/85/76/326878576.db2.gz VEGWBSOTJWNELU-HNNXBMFYSA-N 0 2 373.340 2.317 20 5 FEBDLN Cc1occc1C(=O)NC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000367132458 330220906 /nfs/dbraw/zinc/22/09/06/330220906.db2.gz BTQNXIJACRCFBM-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)=O)ccc1O ZINC000477363258 561143062 /nfs/dbraw/zinc/14/30/62/561143062.db2.gz ZRSISGMWONRDAH-UHFFFAOYSA-N 0 2 366.351 2.312 20 5 FEBDLN O=C(NCc1cccc(Cn2cccn2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000159310542 545942314 /nfs/dbraw/zinc/94/23/14/545942314.db2.gz PZSUBEGNQOZBTL-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000478677774 561172503 /nfs/dbraw/zinc/17/25/03/561172503.db2.gz NKNWYBVWDLIGFA-UHFFFAOYSA-N 0 2 350.352 2.339 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)[nH]n2)ccc1[N+](=O)[O-] ZINC000481860872 561244199 /nfs/dbraw/zinc/24/41/99/561244199.db2.gz IONLWQXZEPIZET-ZDUSSCGKSA-N 0 2 352.372 2.279 20 5 FEBDLN Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)nc2c1cccc2F ZINC000179488716 546964902 /nfs/dbraw/zinc/96/49/02/546964902.db2.gz UNMMHBJKLJVMMB-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN C[C@@](NC(=O)c1cc([N+](=O)[O-])ccc1O)(C(N)=O)c1cccc(Cl)c1 ZINC000179537869 546973142 /nfs/dbraw/zinc/97/31/42/546973142.db2.gz NUMHGBGMTJYWFA-INIZCTEOSA-N 0 2 363.757 2.084 20 5 FEBDLN COc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc([N+](=O)[O-])c1C ZINC000484641775 561302104 /nfs/dbraw/zinc/30/21/04/561302104.db2.gz IXGDQELSYAPYAG-UHFFFAOYSA-N 0 2 371.378 2.500 20 5 FEBDLN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184634296 547857540 /nfs/dbraw/zinc/85/75/40/547857540.db2.gz GWDHNSQEKMSRHF-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN C[C@@H](c1nccs1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000185703325 548021783 /nfs/dbraw/zinc/02/17/83/548021783.db2.gz MZRIUQGWZXAEAS-NSHDSACASA-N 0 2 362.411 2.276 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(C(C)C)s2)ccc1[N+](=O)[O-] ZINC000268442503 550066426 /nfs/dbraw/zinc/06/64/26/550066426.db2.gz PIOFWLMMVLBRDQ-UHFFFAOYSA-N 0 2 358.401 2.379 20 5 FEBDLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000278553154 550798414 /nfs/dbraw/zinc/79/84/14/550798414.db2.gz AFPZYSDWLMSRBL-NSHDSACASA-N 0 2 370.362 2.120 20 5 FEBDLN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000283199319 551327798 /nfs/dbraw/zinc/32/77/98/551327798.db2.gz LFLZXRZCXJRUHS-OLZOCXBDSA-N 0 2 354.366 2.494 20 5 FEBDLN CCc1nnc(CNS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000289720957 552367742 /nfs/dbraw/zinc/36/77/42/552367742.db2.gz ZCYWDEPGDQPFSM-UHFFFAOYSA-N 0 2 362.820 2.141 20 5 FEBDLN COC(=O)C(C)(C)c1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000294147704 552885665 /nfs/dbraw/zinc/88/56/65/552885665.db2.gz UNOYXUUOGPJQNB-UHFFFAOYSA-N 0 2 365.367 2.460 20 5 FEBDLN C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)C2)C1 ZINC000294259885 552891957 /nfs/dbraw/zinc/89/19/57/552891957.db2.gz SYMCXQLSVSVOSB-IBGZPJMESA-N 0 2 369.425 2.338 20 5 FEBDLN CC[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000295646157 553039148 /nfs/dbraw/zinc/03/91/48/553039148.db2.gz DNGINIYNFGVNME-NSHDSACASA-N 0 2 353.375 2.334 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505994638 561686967 /nfs/dbraw/zinc/68/69/67/561686967.db2.gz CYTZBVJSNJLGRQ-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000507103818 561717492 /nfs/dbraw/zinc/71/74/92/561717492.db2.gz PGZBESWODPKOFG-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000331358434 554250423 /nfs/dbraw/zinc/25/04/23/554250423.db2.gz VEOKGNOHKBLNSD-KRWDZBQOSA-N 0 2 350.371 2.494 20 5 FEBDLN C[C@H]1Oc2ccccc2N(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000363813339 555191190 /nfs/dbraw/zinc/19/11/90/555191190.db2.gz FIRMTSZACFMKRG-SNVBAGLBSA-N 0 2 357.322 2.053 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1oc(=O)n2C ZINC000512780703 561915099 /nfs/dbraw/zinc/91/50/99/561915099.db2.gz FLFQMWOJRFGTHW-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(CCN1C(=O)COc2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000365048969 555472946 /nfs/dbraw/zinc/47/29/46/555472946.db2.gz XHISCSRFRNUITD-UHFFFAOYSA-N 0 2 357.322 2.055 20 5 FEBDLN CCn1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(-c2cnn(C)c2)n1 ZINC000365096386 555484542 /nfs/dbraw/zinc/48/45/42/555484542.db2.gz LFZLBJMLQNVBHN-UHFFFAOYSA-N 0 2 356.342 2.170 20 5 FEBDLN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000370366041 556851662 /nfs/dbraw/zinc/85/16/62/556851662.db2.gz IOEOQLUPQHIDGI-HUUCEWRRSA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000373835192 557769632 /nfs/dbraw/zinc/76/96/32/557769632.db2.gz JVTPKUSQPXBGCX-LBPRGKRZSA-N 0 2 367.365 2.363 20 5 FEBDLN Cc1csc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000375367809 558016324 /nfs/dbraw/zinc/01/63/24/558016324.db2.gz GYGHKQVSRVLOMX-UHFFFAOYSA-N 0 2 362.411 2.418 20 5 FEBDLN O=C(CCCc1ccccc1)NCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000424955362 559681232 /nfs/dbraw/zinc/68/12/32/559681232.db2.gz SGTQGVSCHMZKSN-UHFFFAOYSA-N 0 2 371.393 2.169 20 5 FEBDLN CCn1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3sccc3C)[nH]s2)n1 ZINC000427354722 559754042 /nfs/dbraw/zinc/75/40/42/559754042.db2.gz MIJODORPZDSFFK-UHFFFAOYSA-N 0 2 364.412 2.374 20 5 FEBDLN O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000430114692 559813515 /nfs/dbraw/zinc/81/35/15/559813515.db2.gz DOAYPZGQYZTPJL-KDOFPFPSSA-N 0 2 360.341 2.336 20 5 FEBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)NC(=O)CO2 ZINC000436673337 559948380 /nfs/dbraw/zinc/94/83/80/559948380.db2.gz IVGFRIJRNYHEFV-VIFPVBQESA-N 0 2 357.322 2.122 20 5 FEBDLN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436883783 559955203 /nfs/dbraw/zinc/95/52/03/559955203.db2.gz HPWNTNFWPXOWNO-UHFFFAOYSA-N 0 2 354.322 2.167 20 5 FEBDLN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436946061 559957052 /nfs/dbraw/zinc/95/70/52/559957052.db2.gz CFJABAPNJMQNNP-OAHLLOKOSA-N 0 2 358.350 2.205 20 5 FEBDLN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436961795 559957767 /nfs/dbraw/zinc/95/77/67/559957767.db2.gz UWQRWQVSBHYSLE-CYBMUJFWSA-N 0 2 368.386 2.167 20 5 FEBDLN COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970584 559957909 /nfs/dbraw/zinc/95/79/09/559957909.db2.gz DZUBGUGMSVLTPP-UHFFFAOYSA-N 0 2 374.349 2.318 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)c([N+](=O)[O-])c1 ZINC000442244559 560046648 /nfs/dbraw/zinc/04/66/48/560046648.db2.gz ZDDGAPNFJBIRIY-UHFFFAOYSA-N 0 2 362.367 2.296 20 5 FEBDLN O=C(NCc1ncn(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000444539386 560115304 /nfs/dbraw/zinc/11/53/04/560115304.db2.gz FEIKLAXMRBQNAW-UHFFFAOYSA-N 0 2 371.328 2.009 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnc2onc(C)c2c1 ZINC000462105680 560797527 /nfs/dbraw/zinc/79/75/27/560797527.db2.gz UKDIVPOQPKCFDU-UHFFFAOYSA-N 0 2 364.339 2.249 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([S@](C)=O)cc1 ZINC000462106714 560797554 /nfs/dbraw/zinc/79/75/54/560797554.db2.gz YQQXVMZWCZCHPW-QHCPKHFHSA-N 0 2 370.408 2.142 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C ZINC000468515838 560931973 /nfs/dbraw/zinc/93/19/73/560931973.db2.gz KYGUVEUPTQPMDI-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1O ZINC000468531496 560932295 /nfs/dbraw/zinc/93/22/95/560932295.db2.gz UUFXYMLCWYKIOK-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC)nc2C)c([N+](=O)[O-])c1 ZINC000469986567 560970732 /nfs/dbraw/zinc/97/07/32/560970732.db2.gz BLMWVSMQQCOCQP-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1 ZINC000470241348 560977282 /nfs/dbraw/zinc/97/72/82/560977282.db2.gz IHUWOEMAOPSNBY-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN COC(=O)[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000470881429 560992855 /nfs/dbraw/zinc/99/28/55/560992855.db2.gz ATDUUBYUTBATRQ-SFHVURJKSA-N 0 2 358.350 2.161 20 5 FEBDLN O=C(COc1cccc(N2CCCC2=O)c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000534066070 562524682 /nfs/dbraw/zinc/52/46/82/562524682.db2.gz YQTBAIREZKKCOT-UHFFFAOYSA-N 0 2 371.349 2.445 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c([N+](=O)[O-])c1 ZINC000569536999 568406518 /nfs/dbraw/zinc/40/65/18/568406518.db2.gz GBUHLGKDHRMIMD-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN CN(CC1CC[NH+](Cn2cc([N+](=O)[O-])c(-c3ccncc3)n2)CC1)C(=O)[O-] ZINC000739663765 603049276 /nfs/dbraw/zinc/04/92/76/603049276.db2.gz JDNBKEFJEIDJAK-UHFFFAOYSA-N 0 2 374.401 2.133 20 5 FEBDLN CC(C)[C@@H](CC[N@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000824104919 603921461 /nfs/dbraw/zinc/92/14/61/603921461.db2.gz JHKCCWLCZDJZLM-GFCCVEGCSA-N 0 2 366.374 2.074 20 5 FEBDLN CC(C)[C@@H](CC[N@@H+](C)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21)NC(=O)[O-] ZINC000824104919 603921462 /nfs/dbraw/zinc/92/14/62/603921462.db2.gz JHKCCWLCZDJZLM-GFCCVEGCSA-N 0 2 366.374 2.074 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)NNc1ccc(C(F)(F)F)cn1 ZINC000016151526 670016061 /nfs/dbraw/zinc/01/60/61/670016061.db2.gz GZBYJHODORSSQO-UHFFFAOYSA-N 0 2 362.289 2.314 20 5 FEBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000047418182 670241672 /nfs/dbraw/zinc/24/16/72/670241672.db2.gz UTVSXFYTZASVJX-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000609218757 675914529 /nfs/dbraw/zinc/91/45/29/675914529.db2.gz AFVWGZFRFMLQAD-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000611294708 676030388 /nfs/dbraw/zinc/03/03/88/676030388.db2.gz WTTNZSGMAWNKJY-SECBINFHSA-N 0 2 368.342 2.240 20 5 FEBDLN O=C(NCc1cnc(Br)s1)c1cc(O)ccc1[N+](=O)[O-] ZINC000718797009 673077838 /nfs/dbraw/zinc/07/78/38/673077838.db2.gz IPVGGEQLTJYQNR-UHFFFAOYSA-N 0 2 358.173 2.449 20 5 FEBDLN CC(C)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)no1 ZINC000546628446 673807683 /nfs/dbraw/zinc/80/76/83/673807683.db2.gz LVYRCQHAIUSUQC-UHFFFAOYSA-N 0 2 363.355 2.450 20 5 FEBDLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000818331699 675215000 /nfs/dbraw/zinc/21/50/00/675215000.db2.gz XQLQEOIXWSBHEF-LKFCYVNXSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000818331699 675215004 /nfs/dbraw/zinc/21/50/04/675215004.db2.gz XQLQEOIXWSBHEF-LKFCYVNXSA-N 0 2 355.778 2.372 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)n1 ZINC000604471238 675805230 /nfs/dbraw/zinc/80/52/30/675805230.db2.gz NJZJUWZMXVDHGO-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000830827258 677063673 /nfs/dbraw/zinc/06/36/73/677063673.db2.gz KRXUOILHDAQKMK-ZDUSSCGKSA-N 0 2 363.267 2.017 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc([N+](=O)[O-])c1F ZINC000766371254 680874958 /nfs/dbraw/zinc/87/49/58/680874958.db2.gz SKBJVYPMQUMQQO-UHFFFAOYSA-N 0 2 350.278 2.435 20 5 FEBDLN Cc1nc(-c2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc(C(F)(F)F)c2)n[nH]1 ZINC000841443382 680882534 /nfs/dbraw/zinc/88/25/34/680882534.db2.gz AXAQEZVTOQALEE-GHMZBOCLSA-N 0 2 355.276 2.403 20 5 FEBDLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768869169 680962706 /nfs/dbraw/zinc/96/27/06/680962706.db2.gz UPJJALPCSYREPW-UHFFFAOYSA-N 0 2 360.344 2.383 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000777685827 681522458 /nfs/dbraw/zinc/52/24/58/681522458.db2.gz RWKSHBIIHYZPBI-UHFFFAOYSA-N 0 2 366.355 2.277 20 5 FEBDLN C[C@@H](CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000863687011 683761785 /nfs/dbraw/zinc/76/17/85/683761785.db2.gz FCRGFTSGRUPXLF-JTQLQIEISA-N 0 2 353.375 2.286 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)CSc1ccc([N+](=O)[O-])cc1F ZINC000865362834 683973873 /nfs/dbraw/zinc/97/38/73/683973873.db2.gz CIEVRECJRFAEFC-UHFFFAOYSA-N 0 2 354.281 2.464 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000866283909 684088431 /nfs/dbraw/zinc/08/84/31/684088431.db2.gz FQOKTXSAVGJDPZ-LLVKDONJSA-N 0 2 352.700 2.291 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1 ZINC000028195902 539827405 /nfs/dbraw/zinc/82/74/05/539827405.db2.gz VMYZOHZLCRJFIY-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000033891486 539976077 /nfs/dbraw/zinc/97/60/77/539976077.db2.gz NSDILUAJTVNFBT-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])n1 ZINC000066247259 541294503 /nfs/dbraw/zinc/29/45/03/541294503.db2.gz SVJDRGXAXCJGFD-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN C[C@H](c1nccs1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000552153109 674191557 /nfs/dbraw/zinc/19/15/57/674191557.db2.gz FMOBHMNTGSGMMB-LLVKDONJSA-N 0 2 362.411 2.276 20 5 FEBDLN CNC(=O)Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000118982277 543662272 /nfs/dbraw/zinc/66/22/72/543662272.db2.gz TWPFGSIHAUEZHV-UHFFFAOYSA-N 0 2 369.424 2.054 20 5 FEBDLN Cc1n[nH]cc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000123591828 543771297 /nfs/dbraw/zinc/77/12/97/543771297.db2.gz BAXUBQFFUAZZDD-UHFFFAOYSA-N 0 2 361.177 2.190 20 5 FEBDLN O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000126697083 543951093 /nfs/dbraw/zinc/95/10/93/543951093.db2.gz XFESKKIGEDOWNS-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN CCCNC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000131142803 544178308 /nfs/dbraw/zinc/17/83/08/544178308.db2.gz OKYDVHKFWSTJDB-UHFFFAOYSA-N 0 2 357.366 2.370 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000135678015 544358919 /nfs/dbraw/zinc/35/89/19/544358919.db2.gz JPPDCYNWNRCFNX-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN O=C(NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)c1ccccc1 ZINC000194742437 328438139 /nfs/dbraw/zinc/43/81/39/328438139.db2.gz DTUDQDIVBWXAIX-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000118942879 326111674 /nfs/dbraw/zinc/11/16/74/326111674.db2.gz UPHHYJAGIYWXRE-UHFFFAOYSA-N 0 2 355.397 2.125 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2ccnn2CC(C)C)ccc1[N+](=O)[O-] ZINC000121297144 326327906 /nfs/dbraw/zinc/32/79/06/326327906.db2.gz YYIZWQZWIJNVDA-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000159344266 326928103 /nfs/dbraw/zinc/92/81/03/326928103.db2.gz RMUGWJBXMCHXBS-STQMWFEESA-N 0 2 363.414 2.457 20 5 FEBDLN Cn1nccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000162319865 327022291 /nfs/dbraw/zinc/02/22/91/327022291.db2.gz IXVMFIUEYGJEEU-UHFFFAOYSA-N 0 2 350.278 2.148 20 5 FEBDLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164657437 327073000 /nfs/dbraw/zinc/07/30/00/327073000.db2.gz VPLVMVGLRJYEGY-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1nnc2n1CCCCC2 ZINC000267948930 329370952 /nfs/dbraw/zinc/37/09/52/329370952.db2.gz SWPNAGOBXHBWMW-GFCCVEGCSA-N 0 2 359.386 2.499 20 5 FEBDLN CC(C)(C)OC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274698154 329972111 /nfs/dbraw/zinc/97/21/11/329972111.db2.gz UAQWELHFPQFSBN-UHFFFAOYSA-N 0 2 350.371 2.494 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C[C@H]2O ZINC000274707665 329973115 /nfs/dbraw/zinc/97/31/15/329973115.db2.gz SJANZAWBWBMIPY-CQSZACIVSA-N 0 2 374.349 2.007 20 5 FEBDLN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000156307550 545616194 /nfs/dbraw/zinc/61/61/94/545616194.db2.gz CHAGVBMUPTVNJN-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)s1 ZINC000480008465 561201091 /nfs/dbraw/zinc/20/10/91/561201091.db2.gz GRYDCAJHXPCGPW-UHFFFAOYSA-N 0 2 374.347 2.413 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C ZINC000175974504 546383165 /nfs/dbraw/zinc/38/31/65/546383165.db2.gz NWEYHRRYSHAXGF-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc([N+](=O)[O-])cc3)=N2)cc1 ZINC000177088011 546541425 /nfs/dbraw/zinc/54/14/25/546541425.db2.gz PZOCPTSLZKDVSD-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1cc([N+](=O)[O-])ccc1O ZINC000180766284 547176089 /nfs/dbraw/zinc/17/60/89/547176089.db2.gz ILSFCSWFICTFBO-UHFFFAOYSA-N 0 2 356.338 2.431 20 5 FEBDLN CCn1c2ccccc2n(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1=O ZINC000183914564 547738877 /nfs/dbraw/zinc/73/88/77/547738877.db2.gz ZGBQWOJLAYCFBZ-UHFFFAOYSA-N 0 2 356.338 2.075 20 5 FEBDLN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000184608032 547853675 /nfs/dbraw/zinc/85/36/75/547853675.db2.gz PRHYAHQAZGBLEE-KRWDZBQOSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000186644668 548164952 /nfs/dbraw/zinc/16/49/52/548164952.db2.gz ZBLSOPKSJULQTC-UHFFFAOYSA-N 0 2 353.338 2.222 20 5 FEBDLN O=C(Cc1ccccc1[N+](=O)[O-])NCc1nnc(COc2ccccc2)[nH]1 ZINC000186670551 548170542 /nfs/dbraw/zinc/17/05/42/548170542.db2.gz RHTXKWSRSSSTEW-UHFFFAOYSA-N 0 2 367.365 2.151 20 5 FEBDLN Cc1ccc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])cc3[O-])CC2)[nH+]c1 ZINC000187020373 548243282 /nfs/dbraw/zinc/24/32/82/548243282.db2.gz ZBNKCHBFDOJWQA-UHFFFAOYSA-N 0 2 356.382 2.403 20 5 FEBDLN O=[N+]([O-])c1cccc(CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)c1 ZINC000195125382 548581459 /nfs/dbraw/zinc/58/14/59/548581459.db2.gz YXBDSSARDWXYJQ-UHFFFAOYSA-N 0 2 362.342 2.493 20 5 FEBDLN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000271323037 550364819 /nfs/dbraw/zinc/36/48/19/550364819.db2.gz XSGOYHJUJZVSCS-LBPRGKRZSA-N 0 2 365.386 2.382 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CCC(C)C)o1 ZINC000278366698 550778100 /nfs/dbraw/zinc/77/81/00/550778100.db2.gz KGDXZBCXXJUTJA-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280793763 551033058 /nfs/dbraw/zinc/03/30/58/551033058.db2.gz OSTPBXLNFPTBEJ-INIZCTEOSA-N 0 2 371.393 2.104 20 5 FEBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000502705138 561623710 /nfs/dbraw/zinc/62/37/10/561623710.db2.gz JEJLOZHQVUBGJE-UHFFFAOYSA-N 0 2 358.383 2.069 20 5 FEBDLN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000503946659 561650430 /nfs/dbraw/zinc/65/04/30/561650430.db2.gz RFMZHRZODPYLSM-UHFFFAOYSA-N 0 2 357.301 2.401 20 5 FEBDLN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1 ZINC000299497334 553571886 /nfs/dbraw/zinc/57/18/86/553571886.db2.gz PGCBTGXEEIQEKT-CYBMUJFWSA-N 0 2 351.384 2.045 20 5 FEBDLN CC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])c(O)c2)C1C(=O)OC(C)C ZINC000299497334 553571889 /nfs/dbraw/zinc/57/18/89/553571889.db2.gz PGCBTGXEEIQEKT-CYBMUJFWSA-N 0 2 351.384 2.045 20 5 FEBDLN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000330725874 554163739 /nfs/dbraw/zinc/16/37/39/554163739.db2.gz ZQXXYMUSQFNTTF-LBPRGKRZSA-N 0 2 363.414 2.315 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c([N+](=O)[O-])c1 ZINC000509646144 561808653 /nfs/dbraw/zinc/80/86/53/561808653.db2.gz IHBSVRBMBPXACJ-UHFFFAOYSA-N 0 2 350.356 2.195 20 5 FEBDLN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000363813327 555191291 /nfs/dbraw/zinc/19/12/91/555191291.db2.gz FIRMTSZACFMKRG-JTQLQIEISA-N 0 2 357.322 2.053 20 5 FEBDLN O=C(CC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)N1CCCC1 ZINC000365101488 555485282 /nfs/dbraw/zinc/48/52/82/555485282.db2.gz RXBJXUWONLXDCS-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000365922883 555701966 /nfs/dbraw/zinc/70/19/66/555701966.db2.gz WRXCSPNEYCNQHR-CQSZACIVSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000367705803 556119564 /nfs/dbraw/zinc/11/95/64/556119564.db2.gz HRZKWGYGEVNUIY-GFCCVEGCSA-N 0 2 362.363 2.200 20 5 FEBDLN CN1C(=O)C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@@H]1c1ccccc1 ZINC000368384202 556293461 /nfs/dbraw/zinc/29/34/61/556293461.db2.gz USRYOGZHQXZLGO-DYVFJYSZSA-N 0 2 355.350 2.459 20 5 FEBDLN O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372323017 557439665 /nfs/dbraw/zinc/43/96/65/557439665.db2.gz AHWMCIKOTNJPFO-GFCCVEGCSA-N 0 2 370.365 2.186 20 5 FEBDLN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000372396837 557460288 /nfs/dbraw/zinc/46/02/88/557460288.db2.gz PGMLREVOPYWOQU-WCQYABFASA-N 0 2 374.353 2.163 20 5 FEBDLN CN1CCC(=O)Nc2cc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)ccc21 ZINC000372478051 557480818 /nfs/dbraw/zinc/48/08/18/557480818.db2.gz NHSBKWIKONENDN-UHFFFAOYSA-N 0 2 356.338 2.331 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1cccc(C)c1 ZINC000521649183 562181397 /nfs/dbraw/zinc/18/13/97/562181397.db2.gz CSSMRJCCFCNFSR-HNNXBMFYSA-N 0 2 372.377 2.371 20 5 FEBDLN O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000377442475 558341558 /nfs/dbraw/zinc/34/15/58/558341558.db2.gz FAPSAWUHAPKOLS-ZDUSSCGKSA-N 0 2 370.365 2.186 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3cnn(C)c3)n2)cc1[N+](=O)[O-] ZINC000377964704 558453590 /nfs/dbraw/zinc/45/35/90/558453590.db2.gz PKVAKWQCQXMNMM-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000422038520 559562275 /nfs/dbraw/zinc/56/22/75/559562275.db2.gz BNKWNHYQIWKGKW-OAHLLOKOSA-N 0 2 361.398 2.211 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCNC(=O)[C@H]1CC1CCCCC1 ZINC000422045527 559562570 /nfs/dbraw/zinc/56/25/70/559562570.db2.gz LJMUYXRGDWOKTL-CQSZACIVSA-N 0 2 361.398 2.211 20 5 FEBDLN C[C@@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424258970 559659567 /nfs/dbraw/zinc/65/95/67/559659567.db2.gz OINFGLYKCNAJSJ-IAQYHMDHSA-N 0 2 358.354 2.106 20 5 FEBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc2c(c1)NC(=O)CO2 ZINC000436673336 559948385 /nfs/dbraw/zinc/94/83/85/559948385.db2.gz IVGFRIJRNYHEFV-SECBINFHSA-N 0 2 357.322 2.122 20 5 FEBDLN O=C(NCCNc1ccc2ccccc2[nH+]1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436789615 559952144 /nfs/dbraw/zinc/95/21/44/559952144.db2.gz LIUXHUVLTSWWHV-UHFFFAOYSA-N 0 2 352.350 2.691 20 5 FEBDLN CCOc1ccc(NS(=O)(=O)c2ccc(OC)nc2)c([N+](=O)[O-])c1 ZINC000442628998 560053940 /nfs/dbraw/zinc/05/39/40/560053940.db2.gz PHYVGOPOLNTJPI-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN CC[C@@H](C)[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(F)(F)F ZINC000443929622 560096333 /nfs/dbraw/zinc/09/63/33/560096333.db2.gz QFYALKCJIXXHNM-APPZFPTMSA-N 0 2 358.342 2.067 20 5 FEBDLN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000446431706 560145913 /nfs/dbraw/zinc/14/59/13/560145913.db2.gz QDBIZJKWSGATDX-QGZVFWFLSA-N 0 2 350.371 2.352 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452472520 560365743 /nfs/dbraw/zinc/36/57/43/560365743.db2.gz DZQJNNQEVZRATR-YJBOKZPZSA-N 0 2 360.341 2.241 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000456019011 560504745 /nfs/dbraw/zinc/50/47/45/560504745.db2.gz SAKQJQSTZJAIIG-UHFFFAOYSA-N 0 2 356.386 2.719 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc(-c2ccncc2)nn1C ZINC000462378407 560808053 /nfs/dbraw/zinc/80/80/53/560808053.db2.gz DETCQLIBDFTBSX-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc3cccnc3n2C)c1C ZINC000467037963 560902145 /nfs/dbraw/zinc/90/21/45/560902145.db2.gz ZOXXYHKWPXQGPU-UHFFFAOYSA-N 0 2 361.383 2.294 20 5 FEBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468999728 560944284 /nfs/dbraw/zinc/94/42/84/560944284.db2.gz PXXKPOOFPCMMKW-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN C[C@@H](c1cccnc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000469655362 560960834 /nfs/dbraw/zinc/96/08/34/560960834.db2.gz IVNBFACAHRWQBS-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C(C)=O)ccc2O)c([N+](=O)[O-])c1 ZINC000477163138 561138240 /nfs/dbraw/zinc/13/82/40/561138240.db2.gz NUZXIFLHQYAKDU-UHFFFAOYSA-N 0 2 366.351 2.312 20 5 FEBDLN O=C(CCOc1ccccc1[N+](=O)[O-])N=c1nc(-c2cccnc2)[nH]s1 ZINC000533725010 562516966 /nfs/dbraw/zinc/51/69/66/562516966.db2.gz JUGXCYGWAWGQPD-UHFFFAOYSA-N 0 2 371.378 2.338 20 5 FEBDLN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000536309780 562574206 /nfs/dbraw/zinc/57/42/06/562574206.db2.gz COVSYPPKMURDJF-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000541800385 562619909 /nfs/dbraw/zinc/61/99/09/562619909.db2.gz ZCOVRKLXBUOFJC-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000569399952 568400700 /nfs/dbraw/zinc/40/07/00/568400700.db2.gz IMNOYWKXMZXKQS-UHFFFAOYSA-N 0 2 359.367 2.040 20 5 FEBDLN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000739279372 600299825 /nfs/dbraw/zinc/29/98/25/600299825.db2.gz WCWRMSGRFFNQKU-LLVKDONJSA-N 0 2 367.789 2.373 20 5 FEBDLN CN(C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828224659 603580394 /nfs/dbraw/zinc/58/03/94/603580394.db2.gz ZKVXESIICRTDPN-NSHDSACASA-N 0 2 370.793 2.261 20 5 FEBDLN CN(C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC000828224659 603580396 /nfs/dbraw/zinc/58/03/96/603580396.db2.gz ZKVXESIICRTDPN-NSHDSACASA-N 0 2 370.793 2.261 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830532103 603716059 /nfs/dbraw/zinc/71/60/59/603716059.db2.gz LZGFAJQCLKCBBC-BXUZGUMPSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)[O-] ZINC000830532103 603716063 /nfs/dbraw/zinc/71/60/63/603716063.db2.gz LZGFAJQCLKCBBC-BXUZGUMPSA-N 0 2 364.402 2.210 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833789023 605522667 /nfs/dbraw/zinc/52/26/67/605522667.db2.gz FVVBZUGXYDQQCH-VIFPVBQESA-N 0 2 358.782 2.117 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833789023 605522671 /nfs/dbraw/zinc/52/26/71/605522671.db2.gz FVVBZUGXYDQQCH-VIFPVBQESA-N 0 2 358.782 2.117 20 5 FEBDLN C[C@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000563124283 674848344 /nfs/dbraw/zinc/84/83/44/674848344.db2.gz ISMFBYXXFSNHLD-GXSJLCMTSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000563124283 674848346 /nfs/dbraw/zinc/84/83/46/674848346.db2.gz ISMFBYXXFSNHLD-GXSJLCMTSA-N 0 2 355.778 2.229 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c1 ZINC000577048188 671412735 /nfs/dbraw/zinc/41/27/35/671412735.db2.gz VRKNVFCICXLQIN-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN COCc1cnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)s1 ZINC000586755079 672240100 /nfs/dbraw/zinc/24/01/00/672240100.db2.gz YWXXJJPDXNPYJI-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN Cc1nc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)sc1C ZINC000732621947 673375382 /nfs/dbraw/zinc/37/53/82/673375382.db2.gz MWBBCCACBLQEIT-UHFFFAOYSA-N 0 2 371.396 2.240 20 5 FEBDLN CCOC(=O)c1sc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)nc1C ZINC000613980724 676155726 /nfs/dbraw/zinc/15/57/26/676155726.db2.gz MNRBLUMRWPGZTO-UHFFFAOYSA-N 0 2 365.367 2.172 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000600667399 673789477 /nfs/dbraw/zinc/78/94/77/673789477.db2.gz CFJWNUQLSIQGEX-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000600668458 673790178 /nfs/dbraw/zinc/79/01/78/673790178.db2.gz WHVHEZWLAUTMMD-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN O=[N+]([O-])c1cc(NS(=O)(=O)N=S2(=O)CCCC2)ccc1Cl ZINC000821124030 675415957 /nfs/dbraw/zinc/41/59/57/675415957.db2.gz LYZJSOYFEURQSA-UHFFFAOYSA-N 0 2 353.809 2.167 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000603980363 675802646 /nfs/dbraw/zinc/80/26/46/675802646.db2.gz NXZGCVYCFZHCDC-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN O=C(Nc1c(F)cc(I)cc1F)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000841327880 680873284 /nfs/dbraw/zinc/87/32/84/680873284.db2.gz UFQFODWLRBNHEU-SVGQVSJJSA-N 0 2 368.077 2.173 20 5 FEBDLN O=C(NCc1cnc(Br)s1)c1ccc([N+](=O)[O-])cc1O ZINC000774292552 681177612 /nfs/dbraw/zinc/17/76/12/681177612.db2.gz VASGRAZJLBVTGR-UHFFFAOYSA-N 0 2 358.173 2.449 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)o1 ZINC000775101980 681274617 /nfs/dbraw/zinc/27/46/17/681274617.db2.gz YWPCEBRNZZNWJU-UHFFFAOYSA-N 0 2 366.277 2.192 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)c(C)o2)cc1[N+](=O)[O-] ZINC000777669727 681519597 /nfs/dbraw/zinc/51/95/97/681519597.db2.gz NOQJTFWRFYJMQK-UHFFFAOYSA-N 0 2 370.343 2.179 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1 ZINC000023390068 539713021 /nfs/dbraw/zinc/71/30/21/539713021.db2.gz DRBIEDJTEGYVKW-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c([N+](=O)[O-])c1 ZINC000026543448 539789801 /nfs/dbraw/zinc/78/98/01/539789801.db2.gz DNBGDHNMIJPONQ-UHFFFAOYSA-N 0 2 350.352 2.339 20 5 FEBDLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000488936867 538776702 /nfs/dbraw/zinc/77/67/02/538776702.db2.gz LKOIUJTUAMWADE-UHFFFAOYSA-N 0 2 357.374 2.328 20 5 FEBDLN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000067004830 541406137 /nfs/dbraw/zinc/40/61/37/541406137.db2.gz HNHGAVRKIZFFPG-UHFFFAOYSA-N 0 2 362.367 2.139 20 5 FEBDLN C[C@@H](O)CCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387802 674125265 /nfs/dbraw/zinc/12/52/65/674125265.db2.gz ZGQWTEFNCBPMOY-SECBINFHSA-N 0 2 369.761 2.457 20 5 FEBDLN O=C(NCc1cnn(Cc2ccccc2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000076384026 542271072 /nfs/dbraw/zinc/27/10/72/542271072.db2.gz HUSCSDFKBWHCGD-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2ncccc2Cl)CC1 ZINC000097127153 543005366 /nfs/dbraw/zinc/00/53/66/543005366.db2.gz MEZUDGFWZVHPBA-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000105940206 543183284 /nfs/dbraw/zinc/18/32/84/543183284.db2.gz BIEOUVZTLLPRFQ-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN CN1C(=O)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000152598204 544672327 /nfs/dbraw/zinc/67/23/27/544672327.db2.gz HTXNOJYMWVYEJM-GUYCJALGSA-N 0 2 373.340 2.141 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 ZINC000153751123 544818070 /nfs/dbraw/zinc/81/80/70/544818070.db2.gz ZYMOIQASIMYRQK-UHFFFAOYSA-N 0 2 350.312 2.347 20 5 FEBDLN C[C@@](O)(C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000552447966 674210121 /nfs/dbraw/zinc/21/01/21/674210121.db2.gz JVLGYEWCCLSEFE-CQSZACIVSA-N 0 2 362.304 2.466 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000187962406 328056961 /nfs/dbraw/zinc/05/69/61/328056961.db2.gz JSGXNTUSDBAQBX-NSHDSACASA-N 0 2 354.388 2.108 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1 ZINC000189236019 328136550 /nfs/dbraw/zinc/13/65/50/328136550.db2.gz QOZMPLNYCXJMTJ-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN CCn1nc(C)c([N+](=O)[O-])c1NCc1nnc(COc2ccccc2)[nH]1 ZINC000192777197 328339078 /nfs/dbraw/zinc/33/90/78/328339078.db2.gz WRFHUKKOUDMDQF-UHFFFAOYSA-N 0 2 357.374 2.429 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1[N+](=O)[O-] ZINC000119196051 326136331 /nfs/dbraw/zinc/13/63/31/326136331.db2.gz QBYAUMNIAAWTNR-UHFFFAOYSA-N 0 2 353.381 2.260 20 5 FEBDLN CCN1CCc2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000121489061 326342311 /nfs/dbraw/zinc/34/23/11/326342311.db2.gz RZPOXQOLWVVOQK-UHFFFAOYSA-N 0 2 368.440 2.230 20 5 FEBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000164014857 327063406 /nfs/dbraw/zinc/06/34/06/327063406.db2.gz YAHHIKIZDQAMRN-UHFFFAOYSA-N 0 2 371.393 2.137 20 5 FEBDLN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000267380351 329321145 /nfs/dbraw/zinc/32/11/45/329321145.db2.gz UXQHVPUSKYEYOL-LBPRGKRZSA-N 0 2 365.386 2.382 20 5 FEBDLN CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000272740930 329809413 /nfs/dbraw/zinc/80/94/13/329809413.db2.gz MBUKVWDNGQRBRI-UHFFFAOYSA-N 0 2 353.375 2.335 20 5 FEBDLN O=C(N[C@@H]1CCCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000331801235 330201813 /nfs/dbraw/zinc/20/18/13/330201813.db2.gz IPCOYZQQAVOMPP-OAHLLOKOSA-N 0 2 361.398 2.354 20 5 FEBDLN O=C1NCc2ccc(NS(=O)(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc21 ZINC000477288300 561141265 /nfs/dbraw/zinc/14/12/65/561141265.db2.gz DSDYHSNBLZWHLB-UHFFFAOYSA-N 0 2 367.770 2.292 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000479127685 561182098 /nfs/dbraw/zinc/18/20/98/561182098.db2.gz HWUCZTMEGAIRRT-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183907452 547737247 /nfs/dbraw/zinc/73/72/47/547737247.db2.gz AWLSHKHTFFXULO-QGZVFWFLSA-N 0 2 357.366 2.140 20 5 FEBDLN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183907452 547737250 /nfs/dbraw/zinc/73/72/50/547737250.db2.gz AWLSHKHTFFXULO-QGZVFWFLSA-N 0 2 357.366 2.140 20 5 FEBDLN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000194741299 548524692 /nfs/dbraw/zinc/52/46/92/548524692.db2.gz LDCNVYOFTDOOTR-UHFFFAOYSA-N 0 2 371.393 2.409 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)cc1[N+](=O)[O-] ZINC000195426784 548637149 /nfs/dbraw/zinc/63/71/49/548637149.db2.gz DZFJBVCUUAPGLD-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 ZINC000489002319 561401320 /nfs/dbraw/zinc/40/13/20/561401320.db2.gz KUCLUGOKOSPGAU-NSHDSACASA-N 0 2 368.415 2.416 20 5 FEBDLN O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000268774556 550114714 /nfs/dbraw/zinc/11/47/14/550114714.db2.gz GKHYUEUIFWTMTG-JTQLQIEISA-N 0 2 356.791 2.327 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000280915345 551045054 /nfs/dbraw/zinc/04/50/54/551045054.db2.gz GUSMZZKMWFCMKO-UHFFFAOYSA-N 0 2 354.388 2.261 20 5 FEBDLN O=C(N[C@@H](CN1CCOCC1)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000281078588 551061438 /nfs/dbraw/zinc/06/14/38/551061438.db2.gz CGPSOWWWBFVMQT-INIZCTEOSA-N 0 2 371.393 2.104 20 5 FEBDLN COCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000285147024 551711120 /nfs/dbraw/zinc/71/11/20/551711120.db2.gz RGYGCJFHTGXVIY-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN CCCc1nc(C)c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])o1 ZINC000291826337 552665751 /nfs/dbraw/zinc/66/57/51/552665751.db2.gz FLXZIUXVJPHHEO-UHFFFAOYSA-N 0 2 357.363 2.461 20 5 FEBDLN O=C(NCCc1ccc(-n2cccn2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000506100945 561690435 /nfs/dbraw/zinc/69/04/35/561690435.db2.gz LMKHHWFIDNGNEB-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000367932897 556175995 /nfs/dbraw/zinc/17/59/95/556175995.db2.gz RBOUKKZZNMWCKY-LLVKDONJSA-N 0 2 373.369 2.002 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000368422972 556305248 /nfs/dbraw/zinc/30/52/48/556305248.db2.gz UWUYZGHYDDULCM-UHFFFAOYSA-N 0 2 365.349 2.256 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(-c2ncccc2F)c1 ZINC000371166986 557094784 /nfs/dbraw/zinc/09/47/84/557094784.db2.gz UEMAOFMWRXANGW-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000371214702 557109299 /nfs/dbraw/zinc/10/92/99/557109299.db2.gz YMZUIUWLNYOZEA-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CO[C@H]1C[C@H](c2nc(C3CC3)no2)N(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000372400287 557461518 /nfs/dbraw/zinc/46/15/18/557461518.db2.gz CPNMYOXOWDHWSD-WCQYABFASA-N 0 2 374.353 2.163 20 5 FEBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@]2(CCCOC2)O1 ZINC000373702824 557741741 /nfs/dbraw/zinc/74/17/41/557741741.db2.gz QNPRTLHCHGOSBJ-GUYCJALGSA-N 0 2 350.371 2.101 20 5 FEBDLN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C[C@H](C)O2 ZINC000373740017 557748777 /nfs/dbraw/zinc/74/87/77/557748777.db2.gz BKOGSMSMIPEQJU-PEBVRCNWSA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1)c1ccco1 ZINC000374911902 557950196 /nfs/dbraw/zinc/95/01/96/557950196.db2.gz JYNVZKYQNUFQKL-LBPRGKRZSA-N 0 2 373.365 2.176 20 5 FEBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000376103166 558127556 /nfs/dbraw/zinc/12/75/56/558127556.db2.gz LUGKOLZPHVYWFV-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN COC[C@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000378024412 558465507 /nfs/dbraw/zinc/46/55/07/558465507.db2.gz JETFYNDDQQBPOJ-IBGZPJMESA-N 0 2 372.377 2.145 20 5 FEBDLN O=C(NCc1ccn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000390377010 558611126 /nfs/dbraw/zinc/61/11/26/558611126.db2.gz SWFJLMLMICAYAH-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(NCc1cnn(Cc2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000390434876 558611406 /nfs/dbraw/zinc/61/14/06/558611406.db2.gz HQMPIQUEAIMNKL-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000422055470 559563183 /nfs/dbraw/zinc/56/31/83/559563183.db2.gz ZRQWMSKOHMUOCY-HNNXBMFYSA-N 0 2 361.398 2.211 20 5 FEBDLN Cn1cc[nH+]c1[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423483970 559630073 /nfs/dbraw/zinc/63/00/73/559630073.db2.gz QMIYWPISPGLSHC-KGLIPLIRSA-N 0 2 351.357 2.005 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000427140328 559748913 /nfs/dbraw/zinc/74/89/13/559748913.db2.gz PWJVIHVGUJYWJO-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1 ZINC000436663956 559948243 /nfs/dbraw/zinc/94/82/43/559948243.db2.gz JQJWWMFVCFINES-XHDPSFHLSA-N 0 2 355.350 2.224 20 5 FEBDLN CC(C)(C)C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C(C)(C)C1 ZINC000436884527 559955222 /nfs/dbraw/zinc/95/52/22/559955222.db2.gz AOFMZJQEPZMIHU-UHFFFAOYSA-N 0 2 363.414 2.410 20 5 FEBDLN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436883255 559955397 /nfs/dbraw/zinc/95/53/97/559955397.db2.gz CIRHIRXIQGABRB-UHFFFAOYSA-N 0 2 365.367 2.314 20 5 FEBDLN CCc1cnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)s1 ZINC000436974507 559958190 /nfs/dbraw/zinc/95/81/90/559958190.db2.gz ZIGXZWFPRGAHLS-UHFFFAOYSA-N 0 2 362.411 2.282 20 5 FEBDLN CNC(=O)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436985604 559958489 /nfs/dbraw/zinc/95/84/89/559958489.db2.gz CYNRFLRHNUEVBZ-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN Cn1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1C1CC1 ZINC000439186439 559989532 /nfs/dbraw/zinc/98/95/32/559989532.db2.gz APIKVJMURYGTLZ-UHFFFAOYSA-N 0 2 353.342 2.243 20 5 FEBDLN CCC(CC)c1nnc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1 ZINC000443416545 560083544 /nfs/dbraw/zinc/08/35/44/560083544.db2.gz IRDFKQDXAQFGOR-UHFFFAOYSA-N 0 2 374.448 2.367 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000456927932 560538806 /nfs/dbraw/zinc/53/88/06/560538806.db2.gz CZRCUKWFRUBIAU-HZPDHXFCSA-N 0 2 370.361 2.329 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1[N+](=O)[O-] ZINC000466975137 560900717 /nfs/dbraw/zinc/90/07/17/560900717.db2.gz XELYGMTXSFRMES-UHFFFAOYSA-N 0 2 369.380 2.096 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000468515174 560932045 /nfs/dbraw/zinc/93/20/45/560932045.db2.gz DVXBZFOTWGZEEO-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1 ZINC000468514236 560932057 /nfs/dbraw/zinc/93/20/57/560932057.db2.gz GFEMXCFLWOWNEY-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(Cn2cncn2)c1 ZINC000531382375 562444154 /nfs/dbraw/zinc/44/41/54/562444154.db2.gz CYQZZVXOCPDVJJ-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CO[C@H](C)CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000568304198 568001675 /nfs/dbraw/zinc/00/16/75/568001675.db2.gz CYMJXGYWQWWYPI-SSDOTTSWSA-N 0 2 353.194 2.134 20 5 FEBDLN C[C@@H](C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000569579263 568408347 /nfs/dbraw/zinc/40/83/47/568408347.db2.gz IYJGGOBICHEQEF-SECBINFHSA-N 0 2 363.349 2.067 20 5 FEBDLN O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000819375775 597074154 /nfs/dbraw/zinc/07/41/54/597074154.db2.gz ZHBGVYDUSAFZKO-JTQLQIEISA-N 0 2 355.778 2.373 20 5 FEBDLN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000819375775 597074156 /nfs/dbraw/zinc/07/41/56/597074156.db2.gz ZHBGVYDUSAFZKO-JTQLQIEISA-N 0 2 355.778 2.373 20 5 FEBDLN O=C([O-])C[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000819375778 597074178 /nfs/dbraw/zinc/07/41/78/597074178.db2.gz ZHBGVYDUSAFZKO-SNVBAGLBSA-N 0 2 355.778 2.373 20 5 FEBDLN O=C([O-])C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000819375778 597074179 /nfs/dbraw/zinc/07/41/79/597074179.db2.gz ZHBGVYDUSAFZKO-SNVBAGLBSA-N 0 2 355.778 2.373 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc3c2CNC3=O)cc1[N+](=O)[O-] ZINC000808113794 674441795 /nfs/dbraw/zinc/44/17/95/674441795.db2.gz LJCZKTIECXTLDJ-UHFFFAOYSA-N 0 2 365.342 2.087 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218084 601031923 /nfs/dbraw/zinc/03/19/23/601031923.db2.gz KBAZTKTXHJXYGJ-UWVGGRQHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218084 601031927 /nfs/dbraw/zinc/03/19/27/601031927.db2.gz KBAZTKTXHJXYGJ-UWVGGRQHSA-N 0 2 355.778 2.372 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740153327 602266323 /nfs/dbraw/zinc/26/63/23/602266323.db2.gz QXOKLHYGXWMPGO-IUODEOHRSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)[O-] ZINC000740153327 602266324 /nfs/dbraw/zinc/26/63/24/602266324.db2.gz QXOKLHYGXWMPGO-IUODEOHRSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1noc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 ZINC000809835760 674514902 /nfs/dbraw/zinc/51/49/02/674514902.db2.gz GIKKCJRIVNMNDU-UHFFFAOYSA-N 0 2 367.170 2.072 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCN(C)C(=O)[O-] ZINC000833789022 605522749 /nfs/dbraw/zinc/52/27/49/605522749.db2.gz FVVBZUGXYDQQCH-SECBINFHSA-N 0 2 358.782 2.117 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCN(C)C(=O)[O-] ZINC000833789022 605522753 /nfs/dbraw/zinc/52/27/53/605522753.db2.gz FVVBZUGXYDQQCH-SECBINFHSA-N 0 2 358.782 2.117 20 5 FEBDLN O=C([O-])N1CC[C@@H]([N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)C1 ZINC000834086389 605777349 /nfs/dbraw/zinc/77/73/49/605777349.db2.gz YGTGZNDGIFPHQV-CQSZACIVSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@@H]([N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C2CC2)C1 ZINC000834086389 605777351 /nfs/dbraw/zinc/77/73/51/605777351.db2.gz YGTGZNDGIFPHQV-CQSZACIVSA-N 0 2 373.369 2.362 20 5 FEBDLN CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000560531769 674597874 /nfs/dbraw/zinc/59/78/74/674597874.db2.gz LQTNULHGBNSBNF-SECBINFHSA-N 0 2 350.331 2.053 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)oc1C ZINC000564139436 674977246 /nfs/dbraw/zinc/97/72/46/674977246.db2.gz UNPZVICTGUOHBH-UHFFFAOYSA-N 0 2 373.318 2.008 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000571967187 670945561 /nfs/dbraw/zinc/94/55/61/670945561.db2.gz RFBOOQIBRQLLPY-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN C[C@@H](C(F)(F)F)S(=O)(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572754886 671040619 /nfs/dbraw/zinc/04/06/19/671040619.db2.gz KSQLHAKJCODRQE-QMMMGPOBSA-N 0 2 365.333 2.489 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)ccc1C(=O)N(C)C ZINC000120263185 671921258 /nfs/dbraw/zinc/92/12/58/671921258.db2.gz OBXFBYLSRCBSON-UHFFFAOYSA-N 0 2 369.424 2.467 20 5 FEBDLN CC[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000592866802 672848546 /nfs/dbraw/zinc/84/85/46/672848546.db2.gz JHEUMFJRYMGBMB-CYBMUJFWSA-N 0 2 363.395 2.187 20 5 FEBDLN C[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-])c1nc[nH]n1 ZINC000538662279 673450111 /nfs/dbraw/zinc/45/01/11/673450111.db2.gz PZYUFCDHYMIYOK-YFKPBYRVSA-N 0 2 366.186 2.059 20 5 FEBDLN Cc1ccnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)n1 ZINC000543692611 673663404 /nfs/dbraw/zinc/66/34/04/673663404.db2.gz NRSMIFUMOUYTAN-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)n(-c2ccccn2)n1 ZINC000768850884 680961515 /nfs/dbraw/zinc/96/15/15/680961515.db2.gz VRMQGKOGNPJWDI-UHFFFAOYSA-N 0 2 365.396 2.346 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C2CC2)c1F ZINC000769870731 680998088 /nfs/dbraw/zinc/99/80/88/680998088.db2.gz MQLFIHMWIWLTAL-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000788216309 682512026 /nfs/dbraw/zinc/51/20/26/682512026.db2.gz HPYIANXOKKNEFV-MRVPVSSYSA-N 0 2 358.401 2.263 20 5 FEBDLN Cc1ncc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cn1 ZINC000790387646 682672936 /nfs/dbraw/zinc/67/29/36/682672936.db2.gz CCRQRXNGOOSEQJ-UHFFFAOYSA-N 0 2 367.343 2.019 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000028195926 539827379 /nfs/dbraw/zinc/82/73/79/539827379.db2.gz OYGYOFRMNAPTBD-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000042219383 540055666 /nfs/dbraw/zinc/05/56/66/540055666.db2.gz XKXFUSHVGSJZNE-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN CN(C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000047212047 540297147 /nfs/dbraw/zinc/29/71/47/540297147.db2.gz YASLDKXFMJCHEL-UHFFFAOYSA-N 0 2 364.383 2.489 20 5 FEBDLN C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1ccccc1 ZINC000075159181 542155550 /nfs/dbraw/zinc/15/55/50/542155550.db2.gz LRCZVNMFPUMRPX-RISCZKNCSA-N 0 2 355.350 2.224 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccnc1OCC(F)F ZINC000125843147 543905178 /nfs/dbraw/zinc/90/51/78/543905178.db2.gz XDVBQGBHJGBVTC-UHFFFAOYSA-N 0 2 359.310 2.435 20 5 FEBDLN CN1CC[NH+](Cc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2)CC1 ZINC000130443726 544151285 /nfs/dbraw/zinc/15/12/85/544151285.db2.gz YLXBQGSCMNEEOI-UHFFFAOYSA-N 0 2 370.409 2.300 20 5 FEBDLN CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000179453153 327644059 /nfs/dbraw/zinc/64/40/59/327644059.db2.gz YZYWCRQVDWIPGW-UHFFFAOYSA-N 0 2 357.366 2.079 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c(C)o1 ZINC000182776838 327788487 /nfs/dbraw/zinc/78/84/87/327788487.db2.gz WXCWFVYHLFNARD-UHFFFAOYSA-N 0 2 355.372 2.010 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1[N+](=O)[O-] ZINC000187355191 328019311 /nfs/dbraw/zinc/01/93/11/328019311.db2.gz QIJWFSCCMDAZIJ-UHFFFAOYSA-N 0 2 372.378 2.495 20 5 FEBDLN Cc1cc(F)ccc1[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000187527741 328031792 /nfs/dbraw/zinc/03/17/92/328031792.db2.gz OCAHTCMOIRBQTE-MRXNPFEDSA-N 0 2 373.340 2.061 20 5 FEBDLN CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C[C@@H](C)O[C@H](C)C1 ZINC000245614896 328561579 /nfs/dbraw/zinc/56/15/79/328561579.db2.gz LIGBPISQCSMMFJ-XHBSWPGZSA-N 0 2 351.403 2.373 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)cc1 ZINC000116430418 326014441 /nfs/dbraw/zinc/01/44/41/326014441.db2.gz JZKBLUVCZUXFQC-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000117973420 326076129 /nfs/dbraw/zinc/07/61/29/326076129.db2.gz WFKKKBJBESHUPV-CYBMUJFWSA-N 0 2 359.386 2.493 20 5 FEBDLN O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000119299276 326147058 /nfs/dbraw/zinc/14/70/58/326147058.db2.gz URQYTNPEUOHIMS-KRWDZBQOSA-N 0 2 371.393 2.104 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000163948059 327061649 /nfs/dbraw/zinc/06/16/49/327061649.db2.gz UMFSPDSYNQHVFI-UHFFFAOYSA-N 0 2 355.397 2.125 20 5 FEBDLN COc1ccccc1C[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164509505 327071197 /nfs/dbraw/zinc/07/11/97/327071197.db2.gz UHRVOIOMGXTBAV-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000164657318 327073244 /nfs/dbraw/zinc/07/32/44/327073244.db2.gz VPLVMVGLRJYEGY-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1C ZINC000172905411 327225809 /nfs/dbraw/zinc/22/58/09/327225809.db2.gz AWTWOSXLBWKWHE-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1C ZINC000175976011 327425944 /nfs/dbraw/zinc/42/59/44/327425944.db2.gz LABSYOZPTDIJJX-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN Cc1ccc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)cc1 ZINC000179430408 546952821 /nfs/dbraw/zinc/95/28/21/546952821.db2.gz QWXBHJNHEMKOST-UHFFFAOYSA-N 0 2 369.377 2.207 20 5 FEBDLN COc1ccc(-n2ccc(CNC(=O)c3cc([N+](=O)[O-])ccc3O)n2)cc1 ZINC000179450831 546956439 /nfs/dbraw/zinc/95/64/39/546956439.db2.gz MBJQTOSPROIFNR-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(Cl)ccc1-n1cnnn1 ZINC000180770865 547177003 /nfs/dbraw/zinc/17/70/03/547177003.db2.gz NGOUWNNTXUFOQE-UHFFFAOYSA-N 0 2 360.717 2.182 20 5 FEBDLN Cc1c(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnn1-c1ccccc1 ZINC000483434399 561277094 /nfs/dbraw/zinc/27/70/94/561277094.db2.gz AHEXCPUEGMJIEH-UHFFFAOYSA-N 0 2 353.338 2.371 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182565430 547513695 /nfs/dbraw/zinc/51/36/95/547513695.db2.gz MLIKHLXIMQOORK-UHFFFAOYSA-N 0 2 351.388 2.492 20 5 FEBDLN O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000184727648 547871118 /nfs/dbraw/zinc/87/11/18/547871118.db2.gz UMFXCKKDZRDNCI-UHFFFAOYSA-N 0 2 353.338 2.387 20 5 FEBDLN O=C(NCCNc1ccccc1[N+](=O)[O-])C1=NN(c2ccccc2)CC1=O ZINC000192734862 548372260 /nfs/dbraw/zinc/37/22/60/548372260.db2.gz WRMBCVFESDZZHU-UHFFFAOYSA-N 0 2 367.365 2.328 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)c([N+](=O)[O-])c1 ZINC000272402901 550444617 /nfs/dbraw/zinc/44/46/17/550444617.db2.gz FJNHFJUEJWGYGH-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN Cc1cnc(COC(=O)C(C)(C)NC(=O)C(F)(F)F)c(C)c1[N+](=O)[O-] ZINC000277489160 550676700 /nfs/dbraw/zinc/67/67/00/550676700.db2.gz OKCHUBFKRQKODY-UHFFFAOYSA-N 0 2 363.292 2.107 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1[N+](=O)[O-] ZINC000280377194 550987066 /nfs/dbraw/zinc/98/70/66/550987066.db2.gz VHLKGSDOZVIRIC-LLVKDONJSA-N 0 2 366.399 2.321 20 5 FEBDLN O=C(Nc1ccccc1CN1CCOCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000281067072 551059868 /nfs/dbraw/zinc/05/98/68/551059868.db2.gz ZKAUDKIOUIIKNX-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(Nc1ccccc1C[NH+]1CCOCC1)c1cccc([O-])c1[N+](=O)[O-] ZINC000281067072 551059870 /nfs/dbraw/zinc/05/98/70/551059870.db2.gz ZKAUDKIOUIIKNX-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(NCc1ccncc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288729810 552202013 /nfs/dbraw/zinc/20/20/13/552202013.db2.gz XHXBCNUFZGOBSZ-LBPRGKRZSA-N 0 2 373.365 2.041 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000290561293 552498457 /nfs/dbraw/zinc/49/84/57/552498457.db2.gz RXKRWYDEWCPISG-CYBMUJFWSA-N 0 2 366.399 2.116 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cnn1C ZINC000291857645 552668923 /nfs/dbraw/zinc/66/89/23/552668923.db2.gz JNBINRAYDKHQLW-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505132335 561666671 /nfs/dbraw/zinc/66/66/71/561666671.db2.gz ZFVYNQDCXQQTIS-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000325109338 553775267 /nfs/dbraw/zinc/77/52/67/553775267.db2.gz ZDQRYKAZBNAXRT-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1OC ZINC000326816195 553783385 /nfs/dbraw/zinc/78/33/85/553783385.db2.gz GSOBHOYUIZNSTC-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1oncc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br ZINC000507009263 561713916 /nfs/dbraw/zinc/71/39/16/561713916.db2.gz XRMGLODUMUKKSS-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000507094695 561717331 /nfs/dbraw/zinc/71/73/31/561717331.db2.gz NHJFAQAOBXCVMR-LLVKDONJSA-N 0 2 357.370 2.316 20 5 FEBDLN O=C(Nc1cccc(OCCn2cncn2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000508250368 561756391 /nfs/dbraw/zinc/75/63/91/561756391.db2.gz UMGBAEGJOWNXOG-UHFFFAOYSA-N 0 2 369.337 2.223 20 5 FEBDLN CSc1cccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c1[N+](=O)[O-] ZINC000332385128 554436231 /nfs/dbraw/zinc/43/62/31/554436231.db2.gz ZMDXHQZMCJWSTP-SECBINFHSA-N 0 2 363.399 2.160 20 5 FEBDLN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000509997393 561821340 /nfs/dbraw/zinc/82/13/40/561821340.db2.gz NKIOMVSDIPIPOE-UHFFFAOYSA-N 0 2 373.365 2.291 20 5 FEBDLN Cc1nc(C)n(C[C@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000363644613 555154075 /nfs/dbraw/zinc/15/40/75/555154075.db2.gz HANGFYDIDMTHSR-CQSZACIVSA-N 0 2 359.386 2.204 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367285548 556008061 /nfs/dbraw/zinc/00/80/61/556008061.db2.gz GADCELGVZIABPY-LJQANCHMSA-N 0 2 356.378 2.467 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000367285547 556008277 /nfs/dbraw/zinc/00/82/77/556008277.db2.gz GADCELGVZIABPY-IBGZPJMESA-N 0 2 356.378 2.467 20 5 FEBDLN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367696700 556117493 /nfs/dbraw/zinc/11/74/93/556117493.db2.gz IWARUSSDLLSVBS-SNVBAGLBSA-N 0 2 362.773 2.358 20 5 FEBDLN O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368313796 556275578 /nfs/dbraw/zinc/27/55/78/556275578.db2.gz ASEHVZVODQFPMA-NSHDSACASA-N 0 2 362.367 2.000 20 5 FEBDLN Cc1nnc([C@H]2CC23CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC3)o1 ZINC000369443344 556601660 /nfs/dbraw/zinc/60/16/60/556601660.db2.gz OQAQGEJPJUAGBZ-CYBMUJFWSA-N 0 2 358.354 2.402 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc[nH]2)cc1[N+](=O)[O-] ZINC000373087393 557625730 /nfs/dbraw/zinc/62/57/30/557625730.db2.gz JLIIKSPTDBNKTB-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN COc1cccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1OC ZINC000520155926 562149769 /nfs/dbraw/zinc/14/97/69/562149769.db2.gz FZXYJSCXCIPYQC-UHFFFAOYSA-N 0 2 370.358 2.230 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H]1c1ccccc1 ZINC000374110562 557825103 /nfs/dbraw/zinc/82/51/03/557825103.db2.gz WWCHYZZMOHNQPT-JKSUJKDBSA-N 0 2 370.361 2.329 20 5 FEBDLN COc1ccccc1[C@@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000374347309 557869425 /nfs/dbraw/zinc/86/94/25/557869425.db2.gz VBTMXJQCSUPYMH-AWEZNQCLSA-N 0 2 357.366 2.096 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000375840731 558087690 /nfs/dbraw/zinc/08/76/90/558087690.db2.gz QDTJCATZZUYOOR-OAHLLOKOSA-N 0 2 364.398 2.491 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(F)c1 ZINC000526005236 562263340 /nfs/dbraw/zinc/26/33/40/562263340.db2.gz MEVPXMOZFFZAFZ-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN CN(CCn1cc(Br)cn1)C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000426507387 559736271 /nfs/dbraw/zinc/73/62/71/559736271.db2.gz DJJKRLGALLFAEG-UHFFFAOYSA-N 0 2 369.175 2.032 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)cnc1C ZINC000427752326 559761629 /nfs/dbraw/zinc/76/16/29/559761629.db2.gz BDFAZJPAJVULBG-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN NC(=O)N1CCCc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000427931194 559765562 /nfs/dbraw/zinc/76/55/62/559765562.db2.gz LFMCUCHQGUZQOY-UHFFFAOYSA-N 0 2 356.338 2.384 20 5 FEBDLN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635044 559947384 /nfs/dbraw/zinc/94/73/84/559947384.db2.gz IZTBZVGPOIBVDI-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436714317 559949733 /nfs/dbraw/zinc/94/97/33/559949733.db2.gz HVLWFDSQVVXFCY-WFASDCNBSA-N 0 2 372.377 2.451 20 5 FEBDLN COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436717988 559950023 /nfs/dbraw/zinc/95/00/23/559950023.db2.gz VEGWKOYRYLEYEF-LRDDRELGSA-N 0 2 372.377 2.451 20 5 FEBDLN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436949919 559957349 /nfs/dbraw/zinc/95/73/49/559957349.db2.gz LLIAYVDGLHCESK-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN COc1cc(NCCNC(=O)c2cc([N+](=O)[O-])ccc2O)cc(OC)c1 ZINC000436955348 559957403 /nfs/dbraw/zinc/95/74/03/559957403.db2.gz DXEANUMROJEBMB-UHFFFAOYSA-N 0 2 361.354 2.160 20 5 FEBDLN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1NC(C)=O ZINC000436967274 559957921 /nfs/dbraw/zinc/95/79/21/559957921.db2.gz QEAINNMMKDUZTO-UHFFFAOYSA-N 0 2 359.338 2.197 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 ZINC000442225056 560046439 /nfs/dbraw/zinc/04/64/39/560046439.db2.gz WOIUBNDVFPPJSX-UHFFFAOYSA-N 0 2 362.367 2.296 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@H+](CC(=O)[O-])[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000442784273 560057322 /nfs/dbraw/zinc/05/73/22/560057322.db2.gz SVKFSFBTXQZZJN-LLVKDONJSA-N 0 2 353.375 2.117 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@@H+](CC(=O)[O-])[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000442784273 560057324 /nfs/dbraw/zinc/05/73/24/560057324.db2.gz SVKFSFBTXQZZJN-LLVKDONJSA-N 0 2 353.375 2.117 20 5 FEBDLN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000446439497 560145955 /nfs/dbraw/zinc/14/59/55/560145955.db2.gz SBMAMBRHGZYMNG-QGZVFWFLSA-N 0 2 350.371 2.352 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1F ZINC000446633898 560148782 /nfs/dbraw/zinc/14/87/82/560148782.db2.gz IMSRYVTZXGAKIM-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN COc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)c1 ZINC000469260086 560951221 /nfs/dbraw/zinc/95/12/21/560951221.db2.gz WOXDLNOERKHEKA-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN COC(=O)c1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OC ZINC000469504740 560956488 /nfs/dbraw/zinc/95/64/88/560956488.db2.gz JOFVVASSEVBVKA-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000473286806 561046540 /nfs/dbraw/zinc/04/65/40/561046540.db2.gz HAIPMJHYMPPSAH-UHFFFAOYSA-N 0 2 370.408 2.086 20 5 FEBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000475795616 561105470 /nfs/dbraw/zinc/10/54/70/561105470.db2.gz JRAKWARUFNOGIC-UHFFFAOYSA-N 0 2 354.315 2.306 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000541070883 562602127 /nfs/dbraw/zinc/60/21/27/562602127.db2.gz PEIXHVNBKUWIER-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)OC)nc1 ZINC000541082445 562602513 /nfs/dbraw/zinc/60/25/13/562602513.db2.gz VCZAASBHIUGLCE-UHFFFAOYSA-N 0 2 365.367 2.140 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+]1CCC(C(=O)[O-])CC1 ZINC000738630642 596923848 /nfs/dbraw/zinc/92/38/48/596923848.db2.gz LPKRHZKJHUQJHQ-VIFPVBQESA-N 0 2 355.778 2.372 20 5 FEBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593745895 601018043 /nfs/dbraw/zinc/01/80/43/601018043.db2.gz CIJXLYVDYYGSOL-LBPRGKRZSA-N 0 2 364.383 2.037 20 5 FEBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593745895 601018047 /nfs/dbraw/zinc/01/80/47/601018047.db2.gz CIJXLYVDYYGSOL-LBPRGKRZSA-N 0 2 364.383 2.037 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218086 601031956 /nfs/dbraw/zinc/03/19/56/601031956.db2.gz KBAZTKTXHJXYGJ-ZJUUUORDSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000736218086 601031958 /nfs/dbraw/zinc/03/19/58/601031958.db2.gz KBAZTKTXHJXYGJ-ZJUUUORDSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000828284821 602348595 /nfs/dbraw/zinc/34/85/95/602348595.db2.gz IHFMBINGYGHQPP-ABAIWWIYSA-N 0 2 358.354 2.213 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@@H](C)NC(=O)[O-])CC1 ZINC000740175910 602449511 /nfs/dbraw/zinc/44/95/11/602449511.db2.gz VBTAPQIQEYVJKE-GFCCVEGCSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000570283170 670690048 /nfs/dbraw/zinc/69/00/48/670690048.db2.gz VGCATDUXGSHADF-UHFFFAOYSA-N 0 2 365.777 2.400 20 5 FEBDLN COC(=O)c1cncc(S(=O)(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC000571719921 670916032 /nfs/dbraw/zinc/91/60/32/670916032.db2.gz KUYXUAUSUDPQLX-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 ZINC000609494575 675923519 /nfs/dbraw/zinc/92/35/19/675923519.db2.gz BPKHGVMHHDAVRR-QHCPKHFHSA-N 0 2 370.408 2.142 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1F ZINC000121126372 671943154 /nfs/dbraw/zinc/94/31/54/671943154.db2.gz WCWXCQJKQWOTKG-UHFFFAOYSA-N 0 2 365.342 2.087 20 5 FEBDLN Cc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])[nH]n1 ZINC000610264966 675962752 /nfs/dbraw/zinc/96/27/52/675962752.db2.gz HABGNLUTDKLMMR-UHFFFAOYSA-N 0 2 365.198 2.412 20 5 FEBDLN Cc1cc(CNS(=O)(=O)c2c(Cl)cc(Cl)cc2[N+](=O)[O-])n[nH]1 ZINC000610264966 675962754 /nfs/dbraw/zinc/96/27/54/675962754.db2.gz HABGNLUTDKLMMR-UHFFFAOYSA-N 0 2 365.198 2.412 20 5 FEBDLN Cc1oncc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br ZINC000129800558 672066631 /nfs/dbraw/zinc/06/66/31/672066631.db2.gz JLDSQXDLNYITGA-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000596046348 673353096 /nfs/dbraw/zinc/35/30/96/673353096.db2.gz QIJYQUAZJUHESH-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN CN1Cc2ccccc2[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000536022071 673358819 /nfs/dbraw/zinc/35/88/19/673358819.db2.gz FQLMGHXNDKKUSH-CQSZACIVSA-N 0 2 365.386 2.199 20 5 FEBDLN CCn1cc(S(=O)(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000538669095 673450435 /nfs/dbraw/zinc/45/04/35/673450435.db2.gz XWZPEQYJPSOKGP-SECBINFHSA-N 0 2 372.369 2.457 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000619468175 676378380 /nfs/dbraw/zinc/37/83/80/676378380.db2.gz CHWVXRSGMQQAPG-UHFFFAOYSA-N 0 2 350.352 2.339 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 ZINC000619507790 676382733 /nfs/dbraw/zinc/38/27/33/676382733.db2.gz RXUDYSAYBCKCCR-UHFFFAOYSA-N 0 2 366.311 2.047 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000830800959 677061385 /nfs/dbraw/zinc/06/13/85/677061385.db2.gz DFSJXEMIEJEHAJ-CYBMUJFWSA-N 0 2 363.267 2.017 20 5 FEBDLN CCC(CC)S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000835160987 680302362 /nfs/dbraw/zinc/30/23/62/680302362.db2.gz FEZXCNQPXHPUBA-UHFFFAOYSA-N 0 2 366.399 2.029 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1[N+](=O)[O-] ZINC000768865478 680962212 /nfs/dbraw/zinc/96/22/12/680962212.db2.gz KAXKSHBWYRFTCT-UHFFFAOYSA-N 0 2 359.341 2.374 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)o2)ccc1[N+](=O)[O-] ZINC000775102790 681274915 /nfs/dbraw/zinc/27/49/15/681274915.db2.gz UCESTOVUDSFJPA-UHFFFAOYSA-N 0 2 366.277 2.192 20 5 FEBDLN COC[C@](C)(NS(=O)(=O)c1cc(C)sc1[N+](=O)[O-])C(F)(F)F ZINC000872002854 684911017 /nfs/dbraw/zinc/91/10/17/684911017.db2.gz CLRYAVMLRJCAQT-VIFPVBQESA-N 0 2 362.351 2.210 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Nc1ccc(F)c(F)c1F ZINC000018050404 539645670 /nfs/dbraw/zinc/64/56/70/539645670.db2.gz YJGXCXABBWQGJC-UHFFFAOYSA-N 0 2 369.255 2.086 20 5 FEBDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000032081047 539928472 /nfs/dbraw/zinc/92/84/72/539928472.db2.gz ASUUPPJJRFBDPW-UHFFFAOYSA-N 0 2 353.331 2.493 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000042219531 540055726 /nfs/dbraw/zinc/05/57/26/540055726.db2.gz IXJUKQJXKZEPGT-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN CCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1CO ZINC000054040887 540565693 /nfs/dbraw/zinc/56/56/93/540565693.db2.gz WYMWHFFAWVFHEM-UHFFFAOYSA-N 0 2 352.368 2.287 20 5 FEBDLN CC(C)(C)n1cnc(=NC(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)[nH]1 ZINC000542246079 541363542 /nfs/dbraw/zinc/36/35/42/541363542.db2.gz ZYAGMJCYBQWWBR-UHFFFAOYSA-N 0 2 355.358 2.379 20 5 FEBDLN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000067147957 541424967 /nfs/dbraw/zinc/42/49/67/541424967.db2.gz CCBUPWXBRNKGDP-TZMCWYRMSA-N 0 2 363.414 2.457 20 5 FEBDLN CCC(=O)COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387249 674125228 /nfs/dbraw/zinc/12/52/28/674125228.db2.gz PXFRIBRAXXWDFV-UHFFFAOYSA-N 0 2 353.718 2.275 20 5 FEBDLN CC(C)n1cnnc1C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000126663240 543949625 /nfs/dbraw/zinc/94/96/25/543949625.db2.gz MJMBMTAWCMPISX-UHFFFAOYSA-N 0 2 359.386 2.493 20 5 FEBDLN O=C(N[C@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130368278 544148381 /nfs/dbraw/zinc/14/83/81/544148381.db2.gz WYNSBUCDCINFJT-MRXNPFEDSA-N 0 2 371.393 2.104 20 5 FEBDLN NC(=O)Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000055586144 324781760 /nfs/dbraw/zinc/78/17/60/324781760.db2.gz FINIUFKRMRMYIC-UHFFFAOYSA-N 0 2 369.786 2.077 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N1CCCc2ccccc21 ZINC000063806199 324867641 /nfs/dbraw/zinc/86/76/41/324867641.db2.gz ZFNZNHZANCHJQD-UHFFFAOYSA-N 0 2 355.350 2.010 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccnc2OCC(F)F)cc1 ZINC000125745463 326477043 /nfs/dbraw/zinc/47/70/43/326477043.db2.gz HYDVNOXWOABPOV-UHFFFAOYSA-N 0 2 359.310 2.435 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164023383 327063409 /nfs/dbraw/zinc/06/34/09/327063409.db2.gz JVYFOPZGDNPKSV-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000267131820 329295226 /nfs/dbraw/zinc/29/52/26/329295226.db2.gz CQWOVFAJMAGBAE-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN CC(C)COC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371456273 330243905 /nfs/dbraw/zinc/24/39/05/330243905.db2.gz GIFIOEAJTPFDTH-UHFFFAOYSA-N 0 2 365.386 2.241 20 5 FEBDLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000554725407 674332559 /nfs/dbraw/zinc/33/25/59/674332559.db2.gz BSXQMVHITFEMEJ-UHFFFAOYSA-N 0 2 359.795 2.396 20 5 FEBDLN O=C(Nc1ccn(CCc2ccncc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000156074106 545597201 /nfs/dbraw/zinc/59/72/01/545597201.db2.gz FMUASDUWRPRTDK-UHFFFAOYSA-N 0 2 353.338 2.387 20 5 FEBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)N1CCCc2ccccc21 ZINC000179452958 546956759 /nfs/dbraw/zinc/95/67/59/546956759.db2.gz IHZMDKYANFSBMF-UHFFFAOYSA-N 0 2 355.350 2.010 20 5 FEBDLN O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182090006 547434998 /nfs/dbraw/zinc/43/49/98/547434998.db2.gz VCPOZWPCJOMBFN-UHFFFAOYSA-N 0 2 356.338 2.431 20 5 FEBDLN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182088041 547435043 /nfs/dbraw/zinc/43/50/43/547435043.db2.gz YYFSNDHBUQMLMH-OAHLLOKOSA-N 0 2 369.377 2.473 20 5 FEBDLN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc([N+](=O)[O-])ccc1O ZINC000182175000 547447389 /nfs/dbraw/zinc/44/73/89/547447389.db2.gz ZYUCZIFDWLIOJQ-GFCCVEGCSA-N 0 2 355.350 2.115 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccncc3)ns2)cc1 ZINC000182562838 547514328 /nfs/dbraw/zinc/51/43/28/547514328.db2.gz QVOMIRFDCYRKPN-UHFFFAOYSA-N 0 2 363.380 2.309 20 5 FEBDLN Cc1ccc(CCC(=O)NCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000183915849 547738985 /nfs/dbraw/zinc/73/89/85/547738985.db2.gz IMVKTNZGJHXWLW-UHFFFAOYSA-N 0 2 357.366 2.296 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1[N+](=O)[O-] ZINC000485446878 561319392 /nfs/dbraw/zinc/31/93/92/561319392.db2.gz QYHIEIUNPHLOCP-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1[N+](=O)[O-] ZINC000186670649 548169794 /nfs/dbraw/zinc/16/97/94/548169794.db2.gz QSKREUXGXJADNA-UHFFFAOYSA-N 0 2 353.338 2.222 20 5 FEBDLN C[C@@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486479352 561348495 /nfs/dbraw/zinc/34/84/95/561348495.db2.gz VDRMCCIQXIBQOY-SSDOTTSWSA-N 0 2 367.159 2.344 20 5 FEBDLN COc1cc(OC)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000486544255 561350270 /nfs/dbraw/zinc/35/02/70/561350270.db2.gz ZQYAYDZAFGFWGX-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COC(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000490380421 561431984 /nfs/dbraw/zinc/43/19/84/561431984.db2.gz WMACHFNZUSQSCT-UHFFFAOYSA-N 0 2 373.350 2.480 20 5 FEBDLN Cc1nc(C(C)(C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])no1 ZINC000264190942 549990421 /nfs/dbraw/zinc/99/04/21/549990421.db2.gz MTBYDOMXJCYBMS-UHFFFAOYSA-N 0 2 360.779 2.153 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000268740015 550111353 /nfs/dbraw/zinc/11/13/53/550111353.db2.gz QISGOTXOGRZOJR-LBPRGKRZSA-N 0 2 365.386 2.382 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2c3c(nn2C)CCC3)c1[N+](=O)[O-] ZINC000277264085 550649391 /nfs/dbraw/zinc/64/93/91/550649391.db2.gz NQHMTQIRWHAGRX-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN CO[C@@H](C)CS(=O)(=O)Nc1ccc(Br)c([N+](=O)[O-])c1 ZINC000282116593 551182780 /nfs/dbraw/zinc/18/27/80/551182780.db2.gz AWEVUZHIRTWCNN-ZETCQYMHSA-N 0 2 353.194 2.134 20 5 FEBDLN O=C(CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])N1CCc2ccccc21 ZINC000497737502 561507607 /nfs/dbraw/zinc/50/76/07/561507607.db2.gz VOMHGJOCTHHFII-UHFFFAOYSA-N 0 2 369.377 2.400 20 5 FEBDLN CC(=O)NCCN(Cc1ccsc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000283604331 551395472 /nfs/dbraw/zinc/39/54/72/551395472.db2.gz QPUREFISLHULET-UHFFFAOYSA-N 0 2 363.395 2.140 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000295202181 552969419 /nfs/dbraw/zinc/96/94/19/552969419.db2.gz NKGCVSMYNRSLMN-UHFFFAOYSA-N 0 2 370.305 2.001 20 5 FEBDLN CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)o1 ZINC000296532632 553175342 /nfs/dbraw/zinc/17/53/42/553175342.db2.gz DGMZBUMKCFMZAS-UHFFFAOYSA-N 0 2 366.277 2.360 20 5 FEBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cc(O)cc(F)c1)OCCO2 ZINC000504286333 561655552 /nfs/dbraw/zinc/65/55/52/561655552.db2.gz LXZBTWQYEVNIII-UHFFFAOYSA-N 0 2 370.314 2.012 20 5 FEBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000505355276 561670023 /nfs/dbraw/zinc/67/00/23/561670023.db2.gz GMXXAUJYRXNACQ-SECBINFHSA-N 0 2 357.322 2.122 20 5 FEBDLN CN(C)c1ncn(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)c2)n1 ZINC000506134040 561691510 /nfs/dbraw/zinc/69/15/10/561691510.db2.gz CFDASPDROFXUBZ-UHFFFAOYSA-N 0 2 368.353 2.199 20 5 FEBDLN O=C(Nc1cc(Br)c[nH]c1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000508388396 561760905 /nfs/dbraw/zinc/76/09/05/561760905.db2.gz SJVYTUSJNGNEHO-UHFFFAOYSA-N 0 2 354.116 2.416 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000331996556 554360112 /nfs/dbraw/zinc/36/01/12/554360112.db2.gz XABKIFGZTIJQJI-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)cn3)no2)cc1O ZINC000350645149 554803638 /nfs/dbraw/zinc/80/36/38/554803638.db2.gz KONQOWIWKKSDFM-UHFFFAOYSA-N 0 2 369.337 2.249 20 5 FEBDLN O=C(c1cc(F)c(F)c(O)c1F)N1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365926976 555702983 /nfs/dbraw/zinc/70/29/83/555702983.db2.gz HGVDKKCWXIKPNB-UHFFFAOYSA-N 0 2 370.287 2.392 20 5 FEBDLN O=C(NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)c1ccco1 ZINC000367274374 556005600 /nfs/dbraw/zinc/00/56/00/556005600.db2.gz LYJDRCVOAOFCPH-LBPRGKRZSA-N 0 2 373.365 2.176 20 5 FEBDLN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000368313792 556275571 /nfs/dbraw/zinc/27/55/71/556275571.db2.gz ASEHVZVODQFPMA-LLVKDONJSA-N 0 2 362.367 2.000 20 5 FEBDLN Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)n1C ZINC000368645453 556372847 /nfs/dbraw/zinc/37/28/47/556372847.db2.gz SKCWBHBXRQECKV-INIZCTEOSA-N 0 2 367.365 2.257 20 5 FEBDLN COC(=O)[C@@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000517046851 562073345 /nfs/dbraw/zinc/07/33/45/562073345.db2.gz IRAOXIDUHDWLFX-IBGZPJMESA-N 0 2 370.361 2.257 20 5 FEBDLN COc1ccc2c(c1)[C@@](O)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)CCC2 ZINC000371366817 557163119 /nfs/dbraw/zinc/16/31/19/557163119.db2.gz OJLWWXRQGOEJGK-IBGZPJMESA-N 0 2 372.377 2.263 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)cc1[N+](=O)[O-] ZINC000520299863 562152930 /nfs/dbraw/zinc/15/29/30/562152930.db2.gz VDVIKRQKEMPLBB-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@]2(CCCOC2)O1 ZINC000373696809 557740636 /nfs/dbraw/zinc/74/06/36/557740636.db2.gz PESPLQZOINNFCY-DYVFJYSZSA-N 0 2 350.371 2.101 20 5 FEBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373743007 557749719 /nfs/dbraw/zinc/74/97/19/557749719.db2.gz GDGFHZVQYUUMDH-QFSBIZTOSA-N 0 2 350.371 2.099 20 5 FEBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373826257 557767689 /nfs/dbraw/zinc/76/76/89/557767689.db2.gz XBUILRCBLKBFHK-QGZVFWFLSA-N 0 2 350.371 2.101 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)c([N+](=O)[O-])n1 ZINC000421229355 559532419 /nfs/dbraw/zinc/53/24/19/559532419.db2.gz FVUGCUZHCHZZDT-UHFFFAOYSA-N 0 2 371.444 2.292 20 5 FEBDLN O=C(Nc1cccc(OCCn2cncn2)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635403 559947317 /nfs/dbraw/zinc/94/73/17/559947317.db2.gz PVROTDMAAFLHSM-UHFFFAOYSA-N 0 2 369.337 2.223 20 5 FEBDLN COC(=O)[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436842829 559953935 /nfs/dbraw/zinc/95/39/35/559953935.db2.gz XKFHCUCBGQVUTN-SFHVURJKSA-N 0 2 358.350 2.161 20 5 FEBDLN NC(=O)c1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C2CC2)c(F)c1 ZINC000436847274 559954162 /nfs/dbraw/zinc/95/41/62/559954162.db2.gz PQAMWJAJGLQYGX-UHFFFAOYSA-N 0 2 373.340 2.343 20 5 FEBDLN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000436853430 559954332 /nfs/dbraw/zinc/95/43/32/559954332.db2.gz CPNQGYWRXJKQKV-LJQANCHMSA-N 0 2 370.361 2.257 20 5 FEBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ncc(Br)cn1 ZINC000436917560 559956363 /nfs/dbraw/zinc/95/63/63/559956363.db2.gz BNWDFYLRPIJJQD-SSDOTTSWSA-N 0 2 367.159 2.344 20 5 FEBDLN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000436959286 559957410 /nfs/dbraw/zinc/95/74/10/559957410.db2.gz CKKLPDBTNVPOQX-GOEBONIOSA-N 0 2 360.370 2.167 20 5 FEBDLN COC(=O)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436961321 559957521 /nfs/dbraw/zinc/95/75/21/559957521.db2.gz JUYXBFIFSBVRDB-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN CCO[C@@H](C)c1noc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436980432 559958267 /nfs/dbraw/zinc/95/82/67/559958267.db2.gz NKVZYUPXLKNKOO-VIFPVBQESA-N 0 2 350.331 2.053 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2cccc(F)c2F)cc([N+](=O)[O-])c1 ZINC000438719881 559982793 /nfs/dbraw/zinc/98/27/93/559982793.db2.gz VLNFGLUCKWHVRY-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000442837295 560059097 /nfs/dbraw/zinc/05/90/97/560059097.db2.gz NSELDXUUERUZAY-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448712258 560195912 /nfs/dbraw/zinc/19/59/12/560195912.db2.gz XXMCYFAZLYYTRT-AWEZNQCLSA-N 0 2 357.414 2.385 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452472705 560365710 /nfs/dbraw/zinc/36/57/10/560365710.db2.gz BXSMICNGMSFKDT-KSSFIOAISA-N 0 2 360.341 2.241 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1n1cccn1 ZINC000456622896 560526203 /nfs/dbraw/zinc/52/62/03/560526203.db2.gz BINKVPVUXGTPQY-BMFZPTHFSA-N 0 2 374.397 2.424 20 5 FEBDLN COc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000463510268 560817520 /nfs/dbraw/zinc/81/75/20/560817520.db2.gz XMSHICQXUOGGQR-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000466958399 560900576 /nfs/dbraw/zinc/90/05/76/560900576.db2.gz VDPRNRSOUNDPNQ-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1C(F)(F)F ZINC000584689339 568273994 /nfs/dbraw/zinc/27/39/94/568273994.db2.gz JBONVTJRCKWZDH-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1cccc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000570214867 568462339 /nfs/dbraw/zinc/46/23/39/568462339.db2.gz AOXVBLVQTGICQO-UHFFFAOYSA-N 0 2 372.381 2.413 20 5 FEBDLN O=C([O-])c1ccc2c(c1)C[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000740201910 600014518 /nfs/dbraw/zinc/01/45/18/600014518.db2.gz AUPAXKYHHGEXOY-KRWDZBQOSA-N 0 2 367.361 2.414 20 5 FEBDLN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000740201910 600014521 /nfs/dbraw/zinc/01/45/21/600014521.db2.gz AUPAXKYHHGEXOY-KRWDZBQOSA-N 0 2 367.361 2.414 20 5 FEBDLN Cc1cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c(C(=O)[O-])[nH]1 ZINC000738448191 600169326 /nfs/dbraw/zinc/16/93/26/600169326.db2.gz DOMZPNYXHPVGIY-UHFFFAOYSA-N 0 2 355.310 2.368 20 5 FEBDLN Cc1noc([C@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809813423 674511453 /nfs/dbraw/zinc/51/14/53/674511453.db2.gz GNADUAZOORZEIP-YFKPBYRVSA-N 0 2 364.742 2.118 20 5 FEBDLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832820 605890927 /nfs/dbraw/zinc/89/09/27/605890927.db2.gz URVPDLSUNLDOGH-UWVGGRQHSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832820 605890929 /nfs/dbraw/zinc/89/09/29/605890929.db2.gz URVPDLSUNLDOGH-UWVGGRQHSA-N 0 2 370.793 2.165 20 5 FEBDLN CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)O1 ZINC000564261057 674989097 /nfs/dbraw/zinc/98/90/97/674989097.db2.gz QKIDAASMRISFSC-QWHCGFSZSA-N 0 2 352.343 2.128 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609494649 675923508 /nfs/dbraw/zinc/92/35/08/675923508.db2.gz WFLFTKGZVYKXSI-UHFFFAOYSA-N 0 2 353.356 2.127 20 5 FEBDLN Cc1cn2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3F)ccc2[nH+]1 ZINC000610032647 675948360 /nfs/dbraw/zinc/94/83/60/675948360.db2.gz QFZXLRCFJGHWBG-UHFFFAOYSA-N 0 2 350.331 2.491 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)c2)coc1C(=O)N(C)C ZINC000592382172 672795345 /nfs/dbraw/zinc/79/53/45/672795345.db2.gz KVOYTAZXPBHONR-UHFFFAOYSA-N 0 2 367.383 2.307 20 5 FEBDLN CNc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cccc1[N+](=O)[O-] ZINC000463117148 673298352 /nfs/dbraw/zinc/29/83/52/673298352.db2.gz UJIRFCIEZYOFNE-UHFFFAOYSA-N 0 2 356.367 2.224 20 5 FEBDLN COc1cc(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596226937 673369646 /nfs/dbraw/zinc/36/96/46/673369646.db2.gz SSKLKZVKGBPCDN-MRVPVSSYSA-N 0 2 353.766 2.465 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599464899 673679178 /nfs/dbraw/zinc/67/91/78/673679178.db2.gz WNIZXZMJJSWNPH-LBPRGKRZSA-N 0 2 357.407 2.029 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000599464899 673679179 /nfs/dbraw/zinc/67/91/79/673679179.db2.gz WNIZXZMJJSWNPH-LBPRGKRZSA-N 0 2 357.407 2.029 20 5 FEBDLN Cc1ccn2cnnc2c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000820799379 675389772 /nfs/dbraw/zinc/38/97/72/675389772.db2.gz MZFIDOKYCGZSHY-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000619466209 676377980 /nfs/dbraw/zinc/37/79/80/676377980.db2.gz NBXVLVJWMXOEBW-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753975377 680327780 /nfs/dbraw/zinc/32/77/80/680327780.db2.gz FEISHVWWQXRSHF-FSIMMPEJSA-N 0 2 365.411 2.497 20 5 FEBDLN CN(Cc1csc(C(C)(C)O)n1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000837073619 680548345 /nfs/dbraw/zinc/54/83/45/680548345.db2.gz JQGGRSGODFYWKF-UHFFFAOYSA-N 0 2 351.384 2.257 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc([N+](=O)[O-])ccc1N ZINC000769677673 680991234 /nfs/dbraw/zinc/99/12/34/680991234.db2.gz QTAZOBLYQVBBJP-UHFFFAOYSA-N 0 2 359.367 2.160 20 5 FEBDLN C[C@@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000788299106 682518382 /nfs/dbraw/zinc/51/83/82/682518382.db2.gz ORKMVCCELQIQQF-MRXNPFEDSA-N 0 2 352.293 2.216 20 5 FEBDLN O=C(NCCc1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000014417436 539603477 /nfs/dbraw/zinc/60/34/77/539603477.db2.gz OUSVYPQKFNWPGZ-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000046914615 540276505 /nfs/dbraw/zinc/27/65/05/540276505.db2.gz YZGDBCLGCMLDHX-UHFFFAOYSA-N 0 2 350.381 2.227 20 5 FEBDLN CC(C)(C)n1cnc(=NC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)[nH]1 ZINC000541313783 541184482 /nfs/dbraw/zinc/18/44/82/541184482.db2.gz QOZMLTBKUBTCRV-UHFFFAOYSA-N 0 2 355.358 2.379 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000066247196 541294141 /nfs/dbraw/zinc/29/41/41/541294141.db2.gz WBCPMXJZKGBCNW-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1ccccc1 ZINC000075159183 542156889 /nfs/dbraw/zinc/15/68/89/542156889.db2.gz LRCZVNMFPUMRPX-BXUZGUMPSA-N 0 2 355.350 2.224 20 5 FEBDLN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C(=O)N1c1ccccc1 ZINC000075159184 542156954 /nfs/dbraw/zinc/15/69/54/542156954.db2.gz LRCZVNMFPUMRPX-SMDDNHRTSA-N 0 2 355.350 2.224 20 5 FEBDLN CCCCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000130039259 544136765 /nfs/dbraw/zinc/13/67/65/544136765.db2.gz MOVYZMUYBGSWBU-UHFFFAOYSA-N 0 2 363.414 2.459 20 5 FEBDLN C[C@](O)(C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1)C(F)(F)F ZINC000552447965 674210225 /nfs/dbraw/zinc/21/02/25/674210225.db2.gz JVLGYEWCCLSEFE-AWEZNQCLSA-N 0 2 362.304 2.466 20 5 FEBDLN C[C@@](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)(C(N)=O)c1cccc(Cl)c1 ZINC000180127934 327672607 /nfs/dbraw/zinc/67/26/07/327672607.db2.gz VHTRPTQPSSSXES-INIZCTEOSA-N 0 2 363.757 2.084 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000187973407 328057537 /nfs/dbraw/zinc/05/75/37/328057537.db2.gz DQDHRTUDKQJYGF-GFCCVEGCSA-N 0 2 368.415 2.416 20 5 FEBDLN Cc1ccc(CCC(=O)NCC(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000089540931 325321023 /nfs/dbraw/zinc/32/10/23/325321023.db2.gz OHGIATZDFGLRDV-UHFFFAOYSA-N 0 2 357.366 2.296 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)o1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000176336629 327449614 /nfs/dbraw/zinc/44/96/14/327449614.db2.gz LLYFXUGSHRSQBO-UHFFFAOYSA-N 0 2 354.322 2.323 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000271610912 329707652 /nfs/dbraw/zinc/70/76/52/329707652.db2.gz VIUANBSWKRHNNQ-GFCCVEGCSA-N 0 2 362.386 2.167 20 5 FEBDLN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272461717 329782988 /nfs/dbraw/zinc/78/29/88/329782988.db2.gz XWRVDHDHLOTFCW-LLVKDONJSA-N 0 2 352.412 2.475 20 5 FEBDLN CCCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)[nH]n1 ZINC000159948695 545994991 /nfs/dbraw/zinc/99/49/91/545994991.db2.gz GLRKBAULUPMXAM-UHFFFAOYSA-N 0 2 354.388 2.470 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000179221284 546916750 /nfs/dbraw/zinc/91/67/50/546916750.db2.gz VDZMXPVXKFQNEV-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000180819883 547185018 /nfs/dbraw/zinc/18/50/18/547185018.db2.gz AUPHBNBGJWGWMW-UHFFFAOYSA-N 0 2 359.367 2.322 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc(-c2cccnc2)n[nH]1 ZINC000180819883 547185026 /nfs/dbraw/zinc/18/50/26/547185026.db2.gz AUPHBNBGJWGWMW-UHFFFAOYSA-N 0 2 359.367 2.322 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000181160915 547260872 /nfs/dbraw/zinc/26/08/72/547260872.db2.gz JZTTZCDKDTUSRR-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000183732778 547709612 /nfs/dbraw/zinc/70/96/12/547709612.db2.gz WLHQNWGKHOVCGW-JTQLQIEISA-N 0 2 373.291 2.113 20 5 FEBDLN CC1(C)CN(CC(F)(F)F)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000186131913 548089706 /nfs/dbraw/zinc/08/97/06/548089706.db2.gz KXOICNXDNCQEEO-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000288895387 552232259 /nfs/dbraw/zinc/23/22/59/552232259.db2.gz IXPVFNVXXNURBC-UHFFFAOYSA-N 0 2 352.416 2.154 20 5 FEBDLN COc1cc(NCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(OC)c1 ZINC000502078357 561611529 /nfs/dbraw/zinc/61/15/29/561611529.db2.gz VTTLFWWWCDAIBP-UHFFFAOYSA-N 0 2 361.354 2.160 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)c([N+](=O)[O-])c1 ZINC000504229118 561654694 /nfs/dbraw/zinc/65/46/94/561654694.db2.gz DKROAUHELJHWGC-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN CCCCCNC(=O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000506495656 561700263 /nfs/dbraw/zinc/70/02/63/561700263.db2.gz NDXQELBXBFNWDA-UHFFFAOYSA-N 0 2 363.414 2.459 20 5 FEBDLN O=C(c1cc(O)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000507094696 561717369 /nfs/dbraw/zinc/71/73/69/561717369.db2.gz NHJFAQAOBXCVMR-NSHDSACASA-N 0 2 357.370 2.316 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000331962902 554353667 /nfs/dbraw/zinc/35/36/67/554353667.db2.gz VGSKFAQSZDYFFQ-NSHDSACASA-N 0 2 351.750 2.439 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000509646193 561808806 /nfs/dbraw/zinc/80/88/06/561808806.db2.gz IROKURNKVXASDY-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000332303589 554421515 /nfs/dbraw/zinc/42/15/15/554421515.db2.gz KZYHJCPXLMIBBU-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000510019041 561822248 /nfs/dbraw/zinc/82/22/48/561822248.db2.gz VNKNDNCUSHWHOZ-UHFFFAOYSA-N 0 2 356.338 2.472 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(-c3ccc(N4CCOCC4)nc3)no2)cc1O ZINC000350592260 554800578 /nfs/dbraw/zinc/80/05/78/554800578.db2.gz GBZODZSNHSZTKJ-UHFFFAOYSA-N 0 2 369.337 2.249 20 5 FEBDLN Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)n1 ZINC000365007174 555462921 /nfs/dbraw/zinc/46/29/21/555462921.db2.gz AWWHJNOYVMMDSV-AWEZNQCLSA-N 0 2 370.365 2.247 20 5 FEBDLN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000370578881 556912790 /nfs/dbraw/zinc/91/27/90/556912790.db2.gz DICXKDSEFXWLNQ-MRXNPFEDSA-N 0 2 369.377 2.221 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cn(C)nc1-c1ccccn1 ZINC000371214393 557109413 /nfs/dbraw/zinc/10/94/13/557109413.db2.gz XOTYNLOPOTYOLX-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C[C@H](C)O2 ZINC000373740016 557748508 /nfs/dbraw/zinc/74/85/08/557748508.db2.gz BKOGSMSMIPEQJU-BWACUDIHSA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(OC2CCOCC2)CC1 ZINC000375836100 558087102 /nfs/dbraw/zinc/08/71/02/558087102.db2.gz BAMLEDPLSBUFQQ-UHFFFAOYSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@](CO)(c2ccccc2)C1 ZINC000375909922 558098312 /nfs/dbraw/zinc/09/83/12/558098312.db2.gz OPDJUJWFCVWRDE-IBGZPJMESA-N 0 2 356.378 2.467 20 5 FEBDLN Cc1cn(-c2ncccc2F)nc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376114584 558128974 /nfs/dbraw/zinc/12/89/74/558128974.db2.gz JQXVKGNAXWVKSH-UHFFFAOYSA-N 0 2 357.301 2.581 20 5 FEBDLN COC[C@@]1(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])OCCc2ccccc21 ZINC000378024414 558465435 /nfs/dbraw/zinc/46/54/35/558465435.db2.gz JETFYNDDQQBPOJ-LJQANCHMSA-N 0 2 372.377 2.145 20 5 FEBDLN C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000412323000 559027898 /nfs/dbraw/zinc/02/78/98/559027898.db2.gz GTSOUDRSYWJFFB-NXEZZACHSA-N 0 2 363.349 2.067 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc(CN(C)C)cs1 ZINC000414458545 559165094 /nfs/dbraw/zinc/16/50/94/559165094.db2.gz MYFBWDJZRSEABX-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN O=C(CCCc1ccccc1)NCCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000424957697 559681375 /nfs/dbraw/zinc/68/13/75/559681375.db2.gz ZNFWIAFEGYZGGT-UHFFFAOYSA-N 0 2 371.393 2.169 20 5 FEBDLN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000432746812 559863871 /nfs/dbraw/zinc/86/38/71/559863871.db2.gz FVNJINFREJSHOL-XJKSGUPXSA-N 0 2 360.370 2.167 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)c([N+](=O)[O-])c1 ZINC000432958044 559868754 /nfs/dbraw/zinc/86/87/54/559868754.db2.gz DXFPGNDZNTWWES-ZDUSSCGKSA-N 0 2 366.399 2.289 20 5 FEBDLN CCOC(=O)c1sc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)nc1C ZINC000436593027 559946229 /nfs/dbraw/zinc/94/62/29/559946229.db2.gz BOBAIAFMGIDBRT-UHFFFAOYSA-N 0 2 351.340 2.494 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(OCC(=O)N(C)C)c1 ZINC000436953358 559957308 /nfs/dbraw/zinc/95/73/08/559957308.db2.gz OPBZIVMHGBZEQM-UHFFFAOYSA-N 0 2 373.365 2.328 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(C)cc1 ZINC000436965081 559957631 /nfs/dbraw/zinc/95/76/31/559957631.db2.gz JYIJIODNKCRVRA-OAHLLOKOSA-N 0 2 358.350 2.295 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)Cc1cccc(C)c1 ZINC000436968761 559957840 /nfs/dbraw/zinc/95/78/40/559957840.db2.gz VHBGDZRPEOGMTH-CQSZACIVSA-N 0 2 372.377 2.371 20 5 FEBDLN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436969187 559957888 /nfs/dbraw/zinc/95/78/88/559957888.db2.gz XQDASRIVDSAGBJ-HNNXBMFYSA-N 0 2 358.350 2.205 20 5 FEBDLN O=C(NCCc1ccn(-c2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000436967676 559957897 /nfs/dbraw/zinc/95/78/97/559957897.db2.gz RDTMCENOUTWCOB-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nn1-c1nc(C)cc(C)n1 ZINC000439061620 559988038 /nfs/dbraw/zinc/98/80/38/559988038.db2.gz UHEKFIGNGOZTJU-UHFFFAOYSA-N 0 2 368.353 2.454 20 5 FEBDLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000448145518 560178801 /nfs/dbraw/zinc/17/88/01/560178801.db2.gz CXRFHFHQFSWMSY-UHFFFAOYSA-N 0 2 368.397 2.616 20 5 FEBDLN C[C@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448710772 560195864 /nfs/dbraw/zinc/19/58/64/560195864.db2.gz VBCNGHVDEOFPNO-AWEZNQCLSA-N 0 2 357.414 2.242 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cnn([C@@H]3CCOC3)c2C)cc1[N+](=O)[O-] ZINC000451091576 560286500 /nfs/dbraw/zinc/28/65/00/560286500.db2.gz ALOUAASMTUJQDY-SNVBAGLBSA-N 0 2 372.428 2.232 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000472409739 561025794 /nfs/dbraw/zinc/02/57/94/561025794.db2.gz ICTBIJMGNFJLAS-UHFFFAOYSA-N 0 2 366.327 2.193 20 5 FEBDLN Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000531047558 562432871 /nfs/dbraw/zinc/43/28/71/562432871.db2.gz ZGOXIUPVZDZIKC-UHFFFAOYSA-N 0 2 355.310 2.213 20 5 FEBDLN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537219152 562588085 /nfs/dbraw/zinc/58/80/85/562588085.db2.gz IOHCBUDLPWIEIT-UHFFFAOYSA-N 0 2 364.379 2.406 20 5 FEBDLN Cc1csc([C@@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)n1 ZINC000569870240 568432141 /nfs/dbraw/zinc/43/21/41/568432141.db2.gz UCMCLTIMWUKWQM-NSHDSACASA-N 0 2 354.413 2.184 20 5 FEBDLN O=C([O-])c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1O ZINC000739479659 599718191 /nfs/dbraw/zinc/71/81/91/599718191.db2.gz HQQGTOFITSAXPS-UHFFFAOYSA-N 0 2 368.305 2.437 20 5 FEBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583386964 601026036 /nfs/dbraw/zinc/02/60/36/601026036.db2.gz TZKBWDOUBURYQB-LBPRGKRZSA-N 0 2 364.383 2.037 20 5 FEBDLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000583386964 601026039 /nfs/dbraw/zinc/02/60/39/601026039.db2.gz TZKBWDOUBURYQB-LBPRGKRZSA-N 0 2 364.383 2.037 20 5 FEBDLN C[C@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000828284828 602348565 /nfs/dbraw/zinc/34/85/65/602348565.db2.gz IHFMBINGYGHQPP-NHYWBVRUSA-N 0 2 358.354 2.213 20 5 FEBDLN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)[O-] ZINC000739659476 602541700 /nfs/dbraw/zinc/54/17/00/602541700.db2.gz CWFNXTSHQIFUDX-JTQLQIEISA-N 0 2 370.793 2.118 20 5 FEBDLN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C1)C(=O)[O-] ZINC000739659476 602541702 /nfs/dbraw/zinc/54/17/02/602541702.db2.gz CWFNXTSHQIFUDX-JTQLQIEISA-N 0 2 370.793 2.118 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000581251180 671878557 /nfs/dbraw/zinc/87/85/57/671878557.db2.gz GPMJXZPZNZRZFF-GFCCVEGCSA-N 0 2 368.371 2.193 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2OCC(F)F)cs1 ZINC000120299542 671922122 /nfs/dbraw/zinc/92/21/22/671922122.db2.gz NVNRKUNYWKJXNH-UHFFFAOYSA-N 0 2 365.339 2.496 20 5 FEBDLN CCn1cc(S(=O)(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000538669096 673450363 /nfs/dbraw/zinc/45/03/63/673450363.db2.gz XWZPEQYJPSOKGP-VIFPVBQESA-N 0 2 372.369 2.457 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538824940 673459621 /nfs/dbraw/zinc/45/96/21/673459621.db2.gz ACABAFDEOPUZDO-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc(N(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000598734900 673604661 /nfs/dbraw/zinc/60/46/61/673604661.db2.gz QLXDKBDFNBSQQP-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN COCC1(S(=O)(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)CC1 ZINC000603420604 675798718 /nfs/dbraw/zinc/79/87/18/675798718.db2.gz USSMNJZSBGALMX-UHFFFAOYSA-N 0 2 365.205 2.278 20 5 FEBDLN O=C1OCCN1c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000750566451 680122687 /nfs/dbraw/zinc/12/26/87/680122687.db2.gz IIJPGSGQRAKYOD-UHFFFAOYSA-N 0 2 363.351 2.352 20 5 FEBDLN CSc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccn1 ZINC000766751490 680886892 /nfs/dbraw/zinc/88/68/92/680886892.db2.gz NAMXSBBERMPKPR-UHFFFAOYSA-N 0 2 370.368 2.421 20 5 FEBDLN CC(C)(C)OC(=O)NC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773238279 681132738 /nfs/dbraw/zinc/13/27/38/681132738.db2.gz SCKKVTBPQDGABI-UHFFFAOYSA-N 0 2 353.375 2.334 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000777669610 681519462 /nfs/dbraw/zinc/51/94/62/681519462.db2.gz GKUDPSWQAIWUFR-UHFFFAOYSA-N 0 2 366.355 2.277 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ncccc2C)cc1[N+](=O)[O-] ZINC000777670924 681520134 /nfs/dbraw/zinc/52/01/34/681520134.db2.gz PKUIWQLMRRLDIB-UHFFFAOYSA-N 0 2 366.355 2.277 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnc(Cl)c2)c([N+](=O)[O-])c1 ZINC000778093286 681570825 /nfs/dbraw/zinc/57/08/25/681570825.db2.gz OGZUJBCUKDLNJN-UHFFFAOYSA-N 0 2 358.719 2.352 20 5 FEBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)C[C@@H]2CCCOC2)c1 ZINC000795295071 683036451 /nfs/dbraw/zinc/03/64/51/683036451.db2.gz YPIRDKXHUQAIGF-SECBINFHSA-N 0 2 366.342 2.365 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1COC(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000797477199 683254678 /nfs/dbraw/zinc/25/46/78/683254678.db2.gz GTBOOOOAVUPESY-UHFFFAOYSA-N 0 2 364.276 2.104 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c([N+](=O)[O-])c1 ZINC000028196605 539827465 /nfs/dbraw/zinc/82/74/65/539827465.db2.gz WJMNEFPBVCCYNF-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031939944 539924598 /nfs/dbraw/zinc/92/45/98/539924598.db2.gz CPXYMAUCEYWJTG-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000057121870 540769767 /nfs/dbraw/zinc/76/97/67/540769767.db2.gz DCFRAGWRAUBFKP-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN CC1(COC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)COC1 ZINC000801386857 674125067 /nfs/dbraw/zinc/12/50/67/674125067.db2.gz OHFAMLUEHNKIOO-UHFFFAOYSA-N 0 2 367.745 2.333 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000114558500 543523624 /nfs/dbraw/zinc/52/36/24/543523624.db2.gz JWKILWDAMRQMSB-AWEZNQCLSA-N 0 2 355.350 2.226 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c(F)c1 ZINC000179834140 327661812 /nfs/dbraw/zinc/66/18/12/327661812.db2.gz MGRCLYKLRCCOJT-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184672314 327878336 /nfs/dbraw/zinc/87/83/36/327878336.db2.gz AFNDPPJAVKRTTE-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN CCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)s1 ZINC000185624747 327925128 /nfs/dbraw/zinc/92/51/28/327925128.db2.gz BKZNPYJXKBOQCO-UHFFFAOYSA-N 0 2 365.396 2.358 20 5 FEBDLN O=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000186499244 327964961 /nfs/dbraw/zinc/96/49/61/327964961.db2.gz XJCXICRIPBSRFX-UHFFFAOYSA-N 0 2 357.366 2.256 20 5 FEBDLN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])cc1O ZINC000188059032 328062961 /nfs/dbraw/zinc/06/29/61/328062961.db2.gz KHBXHAFNIDLKOM-SNVBAGLBSA-N 0 2 362.773 2.358 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000018214252 324390400 /nfs/dbraw/zinc/39/04/00/324390400.db2.gz YEWBDKNMGVVGRH-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000089541083 325321283 /nfs/dbraw/zinc/32/12/83/325321283.db2.gz XNCGUXAPEZRLPF-UHFFFAOYSA-N 0 2 352.306 2.099 20 5 FEBDLN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000101669305 325476578 /nfs/dbraw/zinc/47/65/78/325476578.db2.gz JVAHJLDLAHKOLJ-LBPRGKRZSA-N 0 2 363.414 2.313 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000116710596 326030448 /nfs/dbraw/zinc/03/04/48/326030448.db2.gz IFNNDLGCRUDKHX-UHFFFAOYSA-N 0 2 360.342 2.420 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000152982563 326721225 /nfs/dbraw/zinc/72/12/25/326721225.db2.gz REEMZHSRPBXLFG-UHFFFAOYSA-N 0 2 363.380 2.309 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1C ZINC000172905196 327225763 /nfs/dbraw/zinc/22/57/63/327225763.db2.gz HXJODRLOAPBQRN-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264419062 329020762 /nfs/dbraw/zinc/02/07/62/329020762.db2.gz LALHAPGYARZSAT-NSHDSACASA-N 0 2 351.359 2.040 20 5 FEBDLN O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000265099704 329090953 /nfs/dbraw/zinc/09/09/53/329090953.db2.gz WSYAOVOIPODHIF-UHFFFAOYSA-N 0 2 373.365 2.183 20 5 FEBDLN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272432875 329780959 /nfs/dbraw/zinc/78/09/59/329780959.db2.gz SIZAGQGTFDASHH-JTQLQIEISA-N 0 2 353.375 2.286 20 5 FEBDLN CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273184013 329843976 /nfs/dbraw/zinc/84/39/76/329843976.db2.gz HAOPUSBVKAYXJO-UHFFFAOYSA-N 0 2 365.386 2.430 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)cc1F ZINC000367235091 330234189 /nfs/dbraw/zinc/23/41/89/330234189.db2.gz YTBKNXLUIMJUFG-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000555528430 674364742 /nfs/dbraw/zinc/36/47/42/674364742.db2.gz FICPQSPBVNQEAH-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN CCCCOc1ccc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])cn1 ZINC000479550758 561191729 /nfs/dbraw/zinc/19/17/29/561191729.db2.gz BZDWXXBWDOSZKS-UHFFFAOYSA-N 0 2 369.403 2.186 20 5 FEBDLN O=C(c1c(O)cc(F)cc1F)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000173684429 546285766 /nfs/dbraw/zinc/28/57/66/546285766.db2.gz AKZMXMORQJBMPW-JTQLQIEISA-N 0 2 364.308 2.300 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000479619321 561193492 /nfs/dbraw/zinc/19/34/92/561193492.db2.gz YEMRBQUREJVHHL-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cn1 ZINC000480208010 561204936 /nfs/dbraw/zinc/20/49/36/561204936.db2.gz HBIKKQBOMPJYBU-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000481027413 561223319 /nfs/dbraw/zinc/22/33/19/561223319.db2.gz VFAMLXKCIDQAAC-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)o1 ZINC000481417979 561232507 /nfs/dbraw/zinc/23/25/07/561232507.db2.gz SFNMUBZJMRMTPS-UHFFFAOYSA-N 0 2 362.161 2.455 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCO[C@@H](COc2ccccc2)C1 ZINC000481551372 561235885 /nfs/dbraw/zinc/23/58/85/561235885.db2.gz GTIFHFNAWOZNNP-OAHLLOKOSA-N 0 2 358.350 2.220 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)ccc1[N+](=O)[O-] ZINC000481860871 561244140 /nfs/dbraw/zinc/24/41/40/561244140.db2.gz IONLWQXZEPIZET-CYBMUJFWSA-N 0 2 352.372 2.279 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481882313 561244549 /nfs/dbraw/zinc/24/45/49/561244549.db2.gz BHBCIQNQZBSPQE-UHFFFAOYSA-N 0 2 360.351 2.369 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2nnc3ccccn32)CC1 ZINC000179394638 546945028 /nfs/dbraw/zinc/94/50/28/546945028.db2.gz UFMRTQSPBPRYOB-UHFFFAOYSA-N 0 2 367.365 2.363 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)s1 ZINC000181366581 547301412 /nfs/dbraw/zinc/30/14/12/547301412.db2.gz QSQZAGZFCYNSCS-UHFFFAOYSA-N 0 2 351.369 2.038 20 5 FEBDLN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000183905644 547737997 /nfs/dbraw/zinc/73/79/97/547737997.db2.gz CCIANTAMRXYNEC-UHFFFAOYSA-N 0 2 368.349 2.498 20 5 FEBDLN O=C(NCCc1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000184619263 547855111 /nfs/dbraw/zinc/85/51/11/547855111.db2.gz IFAWKHCEZOQHGQ-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000184952773 547906519 /nfs/dbraw/zinc/90/65/19/547906519.db2.gz FAICHHPYBRCNIZ-UHFFFAOYSA-N 0 2 365.292 2.289 20 5 FEBDLN O=C1CCC(c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)=NN1 ZINC000485264070 561315908 /nfs/dbraw/zinc/31/59/08/561315908.db2.gz VXLDSBTVXLAWIV-UHFFFAOYSA-N 0 2 374.378 2.010 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000186639655 548164193 /nfs/dbraw/zinc/16/41/93/548164193.db2.gz FCVKTUUDHYLWKI-UHFFFAOYSA-N 0 2 353.338 2.222 20 5 FEBDLN O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000493319406 561455470 /nfs/dbraw/zinc/45/54/70/561455470.db2.gz JODZELYUVDOACP-DOMZBBRYSA-N 0 2 366.320 2.268 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000276646631 550581198 /nfs/dbraw/zinc/58/11/98/550581198.db2.gz NLYDHLABEBKCBM-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278805743 550824033 /nfs/dbraw/zinc/82/40/33/550824033.db2.gz HXBGAOLUZJDGHW-ZDUSSCGKSA-N 0 2 366.399 2.289 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1[N+](=O)[O-] ZINC000280884104 551042138 /nfs/dbraw/zinc/04/21/38/551042138.db2.gz DQESEMZOYHWTMV-UHFFFAOYSA-N 0 2 358.351 2.321 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000281379163 551090095 /nfs/dbraw/zinc/09/00/95/551090095.db2.gz XCPNCAVMJVLYLI-LLVKDONJSA-N 0 2 360.322 2.007 20 5 FEBDLN COCc1cnc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])s1 ZINC000284991845 551685070 /nfs/dbraw/zinc/68/50/70/551685070.db2.gz FNOOPVFPPVJYSW-UHFFFAOYSA-N 0 2 357.413 2.182 20 5 FEBDLN COC(=O)C1(CS(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000290724665 552526864 /nfs/dbraw/zinc/52/68/64/552526864.db2.gz VLHNCJSEVSGLBW-UHFFFAOYSA-N 0 2 372.399 2.079 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)ccc1[N+](=O)[O-] ZINC000291136434 552591560 /nfs/dbraw/zinc/59/15/60/552591560.db2.gz OPYXTIOYBPNBDW-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN CC(C)OCc1nc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000292033427 552686399 /nfs/dbraw/zinc/68/63/99/552686399.db2.gz QHDYRCOZDGNECK-SECBINFHSA-N 0 2 350.331 2.099 20 5 FEBDLN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000292549644 552737426 /nfs/dbraw/zinc/73/74/26/552737426.db2.gz MNTDWZZKUFSCFO-VXNVDRBHSA-N 0 2 365.333 2.328 20 5 FEBDLN CC[C@@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000296900022 553227186 /nfs/dbraw/zinc/22/71/86/553227186.db2.gz LMTSJGHVBFNIQJ-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN CC(C)c1nc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000507632761 561735950 /nfs/dbraw/zinc/73/59/50/561735950.db2.gz RNCCKWDBUCLFAW-LBPRGKRZSA-N 0 2 362.342 2.021 20 5 FEBDLN Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)cc1[N+](=O)[O-] ZINC000508070152 561750157 /nfs/dbraw/zinc/75/01/57/561750157.db2.gz UWYKULDQOCEFKO-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N[C@]1(C(F)(F)F)CCOC1 ZINC000508098055 561751497 /nfs/dbraw/zinc/75/14/97/561751497.db2.gz SBFFNTJDLBSYCM-SNVBAGLBSA-N 0 2 374.724 2.248 20 5 FEBDLN COc1cc(CCNc2nc([C@@H](C)OC)ns2)c([N+](=O)[O-])cc1OC ZINC000509727979 561811877 /nfs/dbraw/zinc/81/18/77/561811877.db2.gz GBHQDDXYPXPTTM-SECBINFHSA-N 0 2 368.415 2.247 20 5 FEBDLN C[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1c(F)cncc1F ZINC000511025792 561854171 /nfs/dbraw/zinc/85/41/71/561854171.db2.gz FPZMKDKGDDNAST-SSDOTTSWSA-N 0 2 361.301 2.447 20 5 FEBDLN COCCOc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000511733090 561879183 /nfs/dbraw/zinc/87/91/83/561879183.db2.gz CHCRNJPZISQLNL-UHFFFAOYSA-N 0 2 352.368 2.421 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000367932898 556176212 /nfs/dbraw/zinc/17/62/12/556176212.db2.gz RBOUKKZZNMWCKY-NSHDSACASA-N 0 2 373.369 2.002 20 5 FEBDLN O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000370815260 556976658 /nfs/dbraw/zinc/97/66/58/556976658.db2.gz VXTHOGVIGDHPQY-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN CC[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373696811 557740617 /nfs/dbraw/zinc/74/06/17/557740617.db2.gz PESPLQZOINNFCY-SUMWQHHRSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376133654 558131318 /nfs/dbraw/zinc/13/13/18/558131318.db2.gz UQVZBLFWEJIWCT-CQSZACIVSA-N 0 2 369.377 2.079 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Cc1cccc(C)c1 ZINC000521649184 562181405 /nfs/dbraw/zinc/18/14/05/562181405.db2.gz CSSMRJCCFCNFSR-OAHLLOKOSA-N 0 2 372.377 2.371 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000521916542 562186366 /nfs/dbraw/zinc/18/63/66/562186366.db2.gz FESLEUCJQVAZQI-HSZRJFAPSA-N 0 2 370.408 2.142 20 5 FEBDLN CC1(c2cc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4O)CC3)n[nH]2)CC1 ZINC000377567001 558366694 /nfs/dbraw/zinc/36/66/94/558366694.db2.gz NUQBBRMQYAUZJO-UHFFFAOYSA-N 0 2 371.397 2.037 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000525964392 562261359 /nfs/dbraw/zinc/26/13/59/562261359.db2.gz AAFDUYSDNNXMNT-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])no1 ZINC000414444404 559164203 /nfs/dbraw/zinc/16/42/03/559164203.db2.gz PSQYZCYTXUQEHJ-UHFFFAOYSA-N 0 2 366.277 2.360 20 5 FEBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)CCOCC2CC2)c1 ZINC000424060149 559653080 /nfs/dbraw/zinc/65/30/80/559653080.db2.gz CLIWBQUAWLBBNT-UHFFFAOYSA-N 0 2 366.342 2.365 20 5 FEBDLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424262804 559659742 /nfs/dbraw/zinc/65/97/42/559659742.db2.gz GRWBUTVWEAKCOU-XPTSAGLGSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424262804 559659743 /nfs/dbraw/zinc/65/97/43/559659743.db2.gz GRWBUTVWEAKCOU-XPTSAGLGSA-N 0 2 355.778 2.372 20 5 FEBDLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000426623960 559739134 /nfs/dbraw/zinc/73/91/34/559739134.db2.gz SHNBKLYEXWCRQX-UHFFFAOYSA-N 0 2 354.370 2.174 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)cc1[N+](=O)[O-] ZINC000436190243 559937209 /nfs/dbraw/zinc/93/72/09/559937209.db2.gz WBHRCHDAERVLFH-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN CN(C)c1ncn(-c2cccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)c2)n1 ZINC000436920060 559956555 /nfs/dbraw/zinc/95/65/55/559956555.db2.gz PZUSZZBTEHVPGS-UHFFFAOYSA-N 0 2 368.353 2.199 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000436958094 559957508 /nfs/dbraw/zinc/95/75/08/559957508.db2.gz DHPQBJXUTPOGFW-CQSZACIVSA-N 0 2 373.340 2.365 20 5 FEBDLN COc1cccc(N2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000436990033 559958683 /nfs/dbraw/zinc/95/86/83/559958683.db2.gz QGXNPFUQBSEPOS-GFCCVEGCSA-N 0 2 357.366 2.318 20 5 FEBDLN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000440308733 560008607 /nfs/dbraw/zinc/00/86/07/560008607.db2.gz UCHJBASHYXOXHT-SECBINFHSA-N 0 2 350.331 2.053 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3ccccc3s2)c([N+](=O)[O-])n1 ZINC000443414714 560083456 /nfs/dbraw/zinc/08/34/56/560083456.db2.gz DBAHUHNOKRXHKK-UHFFFAOYSA-N 0 2 353.385 2.222 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000456628582 560526405 /nfs/dbraw/zinc/52/64/05/560526405.db2.gz DHUDMQYZSRHTLL-IMJJTQAJSA-N 0 2 374.397 2.424 20 5 FEBDLN CCOC(=O)Cc1cnc(N(C)C(=O)c2cccc(O)c2[N+](=O)[O-])s1 ZINC000457106229 560549145 /nfs/dbraw/zinc/54/91/45/560549145.db2.gz IKOMNILHQGBUMN-UHFFFAOYSA-N 0 2 365.367 2.139 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc3onc(C)c3c2)c([N+](=O)[O-])c1 ZINC000462098355 560796938 /nfs/dbraw/zinc/79/69/38/560796938.db2.gz OYLHSMUAINQZCK-UHFFFAOYSA-N 0 2 364.339 2.249 20 5 FEBDLN Cc1cc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000470703019 560987815 /nfs/dbraw/zinc/98/78/15/560987815.db2.gz JEVLJYHFSWDRLQ-UHFFFAOYSA-N 0 2 359.273 2.044 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000541451986 562612148 /nfs/dbraw/zinc/61/21/48/562612148.db2.gz VPWXWATZRCJWJY-UHFFFAOYSA-N 0 2 365.415 2.496 20 5 FEBDLN CCOc1ccccc1C(=O)NCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000541585562 562615808 /nfs/dbraw/zinc/61/58/08/562615808.db2.gz CGDKBRQBOGSEDS-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C(=O)[O-])CC1 ZINC000262642295 596924808 /nfs/dbraw/zinc/92/48/08/596924808.db2.gz JDJXFSQNYWQRLN-VIFPVBQESA-N 0 2 355.778 2.372 20 5 FEBDLN O=C([O-])N1CCC[C@@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740717628 602744685 /nfs/dbraw/zinc/74/46/85/602744685.db2.gz PFVHEGQYHOLGBM-GFCCVEGCSA-N 0 2 374.353 2.327 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830432127 603716573 /nfs/dbraw/zinc/71/65/73/603716573.db2.gz ABCNOIJBKAVJLI-WFASDCNBSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830432127 603716578 /nfs/dbraw/zinc/71/65/78/603716578.db2.gz ABCNOIJBKAVJLI-WFASDCNBSA-N 0 2 364.402 2.210 20 5 FEBDLN NC(=O)C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000560580784 674600896 /nfs/dbraw/zinc/60/08/96/674600896.db2.gz NELHZZQXPJYJRQ-CYBMUJFWSA-N 0 2 363.757 2.300 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(CCC(C)(C)[N+](=O)[O-])no1 ZINC000812811295 674700208 /nfs/dbraw/zinc/70/02/08/674700208.db2.gz QJHYFADHHRWCNT-VIFPVBQESA-N 0 2 352.313 2.433 20 5 FEBDLN CSc1cccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1[N+](=O)[O-] ZINC000572408916 670998276 /nfs/dbraw/zinc/99/82/76/670998276.db2.gz QYCHPJATEAANBB-UHFFFAOYSA-N 0 2 363.399 2.160 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000609849062 675939339 /nfs/dbraw/zinc/93/93/39/675939339.db2.gz ZGRIBCPOURAIDV-UHFFFAOYSA-N 0 2 356.429 2.275 20 5 FEBDLN Cc1nn(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1[N+](=O)[O-] ZINC000537518866 673392630 /nfs/dbraw/zinc/39/26/30/673392630.db2.gz USBFLYALMSLNOR-UHFFFAOYSA-N 0 2 361.749 2.328 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000597442611 673478137 /nfs/dbraw/zinc/47/81/37/673478137.db2.gz MKWAPVMQJHMEKZ-VHSXEESVSA-N 0 2 364.276 2.223 20 5 FEBDLN Cn1cc(Br)c(=O)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000544647437 673722685 /nfs/dbraw/zinc/72/26/85/673722685.db2.gz LLONZKMMAVQUPX-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN Cc1ccc(OS(=O)(=O)c2c[nH]nc2C(F)(F)F)c([N+](=O)[O-])c1 ZINC000820781293 675387244 /nfs/dbraw/zinc/38/72/44/675387244.db2.gz OYQMYQDZJNODCV-UHFFFAOYSA-N 0 2 351.262 2.413 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1C ZINC000765990068 680862609 /nfs/dbraw/zinc/86/26/09/680862609.db2.gz KESNEPWWLMQCDR-UHFFFAOYSA-N 0 2 374.806 2.466 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000747596575 679891901 /nfs/dbraw/zinc/89/19/01/679891901.db2.gz POFWRJMFFIVLGF-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cn1C ZINC000753083711 680274000 /nfs/dbraw/zinc/27/40/00/680274000.db2.gz QXECSKCIYIYDBH-UHFFFAOYSA-N 0 2 373.774 2.174 20 5 FEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(F)F)c1 ZINC000766375730 680875177 /nfs/dbraw/zinc/87/51/77/680875177.db2.gz LJJPWKRIHGMZBF-UHFFFAOYSA-N 0 2 350.278 2.435 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccnc3)ns2)cs1 ZINC000768864244 680962363 /nfs/dbraw/zinc/96/23/63/680962363.db2.gz NIWJRTDPVXVCIU-UHFFFAOYSA-N 0 2 369.409 2.371 20 5 FEBDLN Cn1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(F)(F)F)n1 ZINC000768890439 680963791 /nfs/dbraw/zinc/96/37/91/680963791.db2.gz KLUZGUVPDMDXMV-UHFFFAOYSA-N 0 2 356.307 2.209 20 5 FEBDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000788213783 682511609 /nfs/dbraw/zinc/51/16/09/682511609.db2.gz MMWLTLVPYVMVMO-QMMMGPOBSA-N 0 2 358.401 2.263 20 5 FEBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])OCc1ccccc1Cl ZINC000796453731 683162735 /nfs/dbraw/zinc/16/27/35/683162735.db2.gz MIJIHKZELQTMLS-UHFFFAOYSA-N 0 2 364.741 2.427 20 5 FEBDLN COc1cc(N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000866283961 684088395 /nfs/dbraw/zinc/08/83/95/684088395.db2.gz HDAJVLZGZYIRGZ-ZDUSSCGKSA-N 0 2 365.283 2.390 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000042219083 540055369 /nfs/dbraw/zinc/05/53/69/540055369.db2.gz MOWQRAQRVFIGKD-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047521581 540316049 /nfs/dbraw/zinc/31/60/49/540316049.db2.gz IMBSGAKSLVNJGC-UHFFFAOYSA-N 0 2 355.759 2.148 20 5 FEBDLN Cc1nn(C)c(Br)c1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000801177643 674107033 /nfs/dbraw/zinc/10/70/33/674107033.db2.gz BCFKLLLIMJRQRY-UHFFFAOYSA-N 0 2 355.148 2.357 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(F)c(C(N)=O)c2)cc1C ZINC000060442732 541112176 /nfs/dbraw/zinc/11/21/76/541112176.db2.gz UKQNOYJARYCVJE-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000064091626 541194244 /nfs/dbraw/zinc/19/42/44/541194244.db2.gz BPFULVYAESSSDX-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN Cc1csc(N2CCCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)n1 ZINC000065761322 541259173 /nfs/dbraw/zinc/25/91/73/541259173.db2.gz NHLWWPFNBZZRHN-UHFFFAOYSA-N 0 2 362.411 2.418 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)nc1C ZINC000066250370 541295132 /nfs/dbraw/zinc/29/51/32/541295132.db2.gz NSNJRUCQMQVOGO-UHFFFAOYSA-N 0 2 363.398 2.009 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2cc(F)ccc21 ZINC000077005090 542341877 /nfs/dbraw/zinc/34/18/77/542341877.db2.gz CUVJHQVTHGLPFQ-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN C[C@@H](c1nccs1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000552153110 674191523 /nfs/dbraw/zinc/19/15/23/674191523.db2.gz FMOBHMNTGSGMMB-NSHDSACASA-N 0 2 362.411 2.276 20 5 FEBDLN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000137835803 544392887 /nfs/dbraw/zinc/39/28/87/544392887.db2.gz GZKQZUODJANJBJ-NSHDSACASA-N 0 2 362.773 2.358 20 5 FEBDLN O=C(NCc1cccc(N2CCCC2=O)c1)c1cc([N+](=O)[O-])ccc1O ZINC000181882751 327750840 /nfs/dbraw/zinc/75/08/40/327750840.db2.gz UGGHMTMWZBSJIU-UHFFFAOYSA-N 0 2 355.350 2.357 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cn(-c2ccccc2)nn1 ZINC000184872528 327886659 /nfs/dbraw/zinc/88/66/59/327886659.db2.gz KONGJWCRJOYRLS-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054151140 324757442 /nfs/dbraw/zinc/75/74/42/324757442.db2.gz SEGUNVMMFMUERA-UHFFFAOYSA-N 0 2 362.342 2.304 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 ZINC000116160879 325996349 /nfs/dbraw/zinc/99/63/49/325996349.db2.gz FMXBUORAJJGWLA-UHFFFAOYSA-N 0 2 374.806 2.282 20 5 FEBDLN Cc1cccc2c(=O)n(CCC(=O)Nc3cc([N+](=O)[O-])ccc3O)cnc12 ZINC000124916664 326462261 /nfs/dbraw/zinc/46/22/61/326462261.db2.gz GKQRBFGVNREWMZ-UHFFFAOYSA-N 0 2 368.349 2.348 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000160648057 326972544 /nfs/dbraw/zinc/97/25/44/326972544.db2.gz WVMXLDCRHDZYFJ-UHFFFAOYSA-N 0 2 361.339 2.437 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172315958 327195240 /nfs/dbraw/zinc/19/52/40/327195240.db2.gz WBNSCPTXAXLFHG-UHFFFAOYSA-N 0 2 369.424 2.487 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc([S@](C)=O)cc1 ZINC000174262758 327316068 /nfs/dbraw/zinc/31/60/68/327316068.db2.gz NWMBEGYOWPIMIV-QFIPXVFZSA-N 0 2 354.409 2.441 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000272443396 329781847 /nfs/dbraw/zinc/78/18/47/329781847.db2.gz VADJCVWOPMQWNC-LBPRGKRZSA-N 0 2 365.386 2.382 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000159343858 545944744 /nfs/dbraw/zinc/94/47/44/545944744.db2.gz RMUGWJBXMCHXBS-CHWSQXEVSA-N 0 2 363.414 2.457 20 5 FEBDLN Cc1c(CC(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cccc1[N+](=O)[O-] ZINC000178662301 546828254 /nfs/dbraw/zinc/82/82/54/546828254.db2.gz CCBGOQOHSVUGSU-UHFFFAOYSA-N 0 2 354.322 2.428 20 5 FEBDLN C[C@](NC(=O)c1cc([N+](=O)[O-])ccc1O)(C(N)=O)c1cccc(Cl)c1 ZINC000179537858 546973556 /nfs/dbraw/zinc/97/35/56/546973556.db2.gz NUMHGBGMTJYWFA-MRXNPFEDSA-N 0 2 363.757 2.084 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000181860180 547393321 /nfs/dbraw/zinc/39/33/21/547393321.db2.gz DDYFOSSCXUPASH-LBPRGKRZSA-N 0 2 367.365 2.363 20 5 FEBDLN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000182088062 547435277 /nfs/dbraw/zinc/43/52/77/547435277.db2.gz YYFSNDHBUQMLMH-HNNXBMFYSA-N 0 2 369.377 2.473 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000182172671 547448048 /nfs/dbraw/zinc/44/80/48/547448048.db2.gz ZDLHAZNUYXMGFJ-NSHDSACASA-N 0 2 357.370 2.316 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ccn(CC(F)F)n1 ZINC000484610653 561301020 /nfs/dbraw/zinc/30/10/20/561301020.db2.gz BPFOXJWWURJCAA-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)ccc1[N+](=O)[O-] ZINC000485444753 561319219 /nfs/dbraw/zinc/31/92/19/561319219.db2.gz HVBSBCOXUUYNNB-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000185866857 548047437 /nfs/dbraw/zinc/04/74/37/548047437.db2.gz OQHRQFFWVGWKHR-NSHDSACASA-N 0 2 357.370 2.316 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cc(F)ccc2O)cc1[N+](=O)[O-] ZINC000488228968 561386555 /nfs/dbraw/zinc/38/65/55/561386555.db2.gz DGMHHUFJXYIQCY-UHFFFAOYSA-N 0 2 360.294 2.388 20 5 FEBDLN CC(=O)Nc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000490404038 561432373 /nfs/dbraw/zinc/43/23/73/561432373.db2.gz YRUPIGJUDJEVGX-UHFFFAOYSA-N 0 2 373.354 2.047 20 5 FEBDLN CC[C@H](C)c1nnc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919527 550611057 /nfs/dbraw/zinc/61/10/57/550611057.db2.gz LAQYCUJXIFYFTH-IUCAKERBSA-N 0 2 371.394 2.405 20 5 FEBDLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000276919527 550611058 /nfs/dbraw/zinc/61/10/58/550611058.db2.gz LAQYCUJXIFYFTH-IUCAKERBSA-N 0 2 371.394 2.405 20 5 FEBDLN O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cccc(O)c1[N+](=O)[O-] ZINC000281078592 551061330 /nfs/dbraw/zinc/06/13/30/551061330.db2.gz CGPSOWWWBFVMQT-MRXNPFEDSA-N 0 2 371.393 2.104 20 5 FEBDLN CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286125713 551851359 /nfs/dbraw/zinc/85/13/59/551851359.db2.gz XDCWUYVEJLASEY-LLVKDONJSA-N 0 2 351.359 2.041 20 5 FEBDLN CCc1cnc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000286456752 551887575 /nfs/dbraw/zinc/88/75/75/551887575.db2.gz OMCFPJWIWVTPDK-UHFFFAOYSA-N 0 2 363.754 2.416 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)s1 ZINC000500760055 561581474 /nfs/dbraw/zinc/58/14/74/561581474.db2.gz VWQFJEYNEDNKJT-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN COc1cc(O)cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000504048231 561652359 /nfs/dbraw/zinc/65/23/59/561652359.db2.gz AGBMSZSUZSEXEN-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC000507102140 561717578 /nfs/dbraw/zinc/71/75/78/561717578.db2.gz IVKZQXMAVTYZLV-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000331355962 554250643 /nfs/dbraw/zinc/25/06/43/554250643.db2.gz RIBYQAYGOSOESI-QGZVFWFLSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000509854168 561816241 /nfs/dbraw/zinc/81/62/41/561816241.db2.gz XUDYBEHLTQZLNH-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000510044630 561823018 /nfs/dbraw/zinc/82/30/18/561823018.db2.gz WPIMMVUXZQSEHV-UHFFFAOYSA-N 0 2 368.342 2.236 20 5 FEBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000511873065 561883583 /nfs/dbraw/zinc/88/35/83/561883583.db2.gz DMYWQTQLSFLJFB-UHFFFAOYSA-N 0 2 359.317 2.029 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000367402599 556039364 /nfs/dbraw/zinc/03/93/64/556039364.db2.gz KZGDXMUMYIIFLE-AWEZNQCLSA-N 0 2 373.409 2.165 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-c2cnn(C)c2)n1 ZINC000370037203 556763528 /nfs/dbraw/zinc/76/35/28/556763528.db2.gz PUOOLCXGKKDHLI-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CNC(=O)Cn1ccc2ccc(NC(=O)c3cc(O)ccc3[N+](=O)[O-])cc21 ZINC000516795806 562058130 /nfs/dbraw/zinc/05/81/30/562058130.db2.gz FKBOXOLQGMFPFV-UHFFFAOYSA-N 0 2 368.349 2.253 20 5 FEBDLN Cn1nc(-c2ccccc2)nc1CCNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000370437999 556873235 /nfs/dbraw/zinc/87/32/35/556873235.db2.gz FGEZSZWVXZXODJ-UHFFFAOYSA-N 0 2 367.365 2.068 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC000370579361 556913442 /nfs/dbraw/zinc/91/34/42/556913442.db2.gz JNSUYBZLSDGHFB-GFCCVEGCSA-N 0 2 362.363 2.200 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@]2(CCCOC2)O1 ZINC000373702822 557741715 /nfs/dbraw/zinc/74/17/15/557741715.db2.gz QNPRTLHCHGOSBJ-CXAGYDPISA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(NC[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1)c1ccco1 ZINC000375910884 558098371 /nfs/dbraw/zinc/09/83/71/558098371.db2.gz WZKPMFBWFOLIJY-LBPRGKRZSA-N 0 2 373.365 2.176 20 5 FEBDLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424262803 559659835 /nfs/dbraw/zinc/65/98/35/559659835.db2.gz GRWBUTVWEAKCOU-OTYXRUKQSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C(=O)[O-] ZINC000424262803 559659836 /nfs/dbraw/zinc/65/98/36/559659836.db2.gz GRWBUTVWEAKCOU-OTYXRUKQSA-N 0 2 355.778 2.372 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274747 559660387 /nfs/dbraw/zinc/66/03/87/559660387.db2.gz ZJJVDGBAMPGNAD-BDJLRTHQSA-N 0 2 365.386 2.117 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274747 559660388 /nfs/dbraw/zinc/66/03/88/559660388.db2.gz ZJJVDGBAMPGNAD-BDJLRTHQSA-N 0 2 365.386 2.117 20 5 FEBDLN Cc1cc(OCC(=O)N=c2nc(-c3cccnc3)[nH]s2)ccc1[N+](=O)[O-] ZINC000430782590 559828194 /nfs/dbraw/zinc/82/81/94/559828194.db2.gz JFNXUURTAHTPRZ-UHFFFAOYSA-N 0 2 371.378 2.256 20 5 FEBDLN O=C(Nc1ccc(F)c(N2C(=O)CCC2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436710622 559949599 /nfs/dbraw/zinc/94/95/99/559949599.db2.gz WQMBBEIPAUUTIB-UHFFFAOYSA-N 0 2 373.296 2.345 20 5 FEBDLN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436717987 559949801 /nfs/dbraw/zinc/94/98/01/559949801.db2.gz VEGWKOYRYLEYEF-BLLLJJGKSA-N 0 2 372.377 2.451 20 5 FEBDLN COC[C@@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)OCCc2ccccc21 ZINC000436783734 559951789 /nfs/dbraw/zinc/95/17/89/559951789.db2.gz NDQACOGYDVDRNM-LJQANCHMSA-N 0 2 372.377 2.145 20 5 FEBDLN COc1cc(OC)c(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000436955238 559957442 /nfs/dbraw/zinc/95/74/42/559957442.db2.gz JSYGEPKDPXJCJU-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)s1 ZINC000436990189 559958840 /nfs/dbraw/zinc/95/88/40/559958840.db2.gz PJPQNZISBDRODV-UHFFFAOYSA-N 0 2 370.408 2.086 20 5 FEBDLN CS(=O)(=O)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000437518230 559965452 /nfs/dbraw/zinc/96/54/52/559965452.db2.gz WNBHJRULWGADGN-UHFFFAOYSA-N 0 2 364.379 2.140 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccccc2OC)cc([N+](=O)[O-])c1 ZINC000438716956 559982661 /nfs/dbraw/zinc/98/26/61/559982661.db2.gz IQMSSHRFWRUVLT-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3[nH]c(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000442235962 560046628 /nfs/dbraw/zinc/04/66/28/560046628.db2.gz CJHCCKVJOIYOCH-UHFFFAOYSA-N 0 2 368.396 2.358 20 5 FEBDLN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000456627701 560526437 /nfs/dbraw/zinc/52/64/37/560526437.db2.gz AGLKWUIGPBZJOG-JTQLQIEISA-N 0 2 361.320 2.257 20 5 FEBDLN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000456640059 560526834 /nfs/dbraw/zinc/52/68/34/560526834.db2.gz GGQUJTLGMYWXIR-JTQLQIEISA-N 0 2 361.320 2.257 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000456652351 560527371 /nfs/dbraw/zinc/52/73/71/560527371.db2.gz LEZNUXFKUYJYNG-XNRPHZJLSA-N 0 2 374.397 2.424 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)C1CCN(CC(F)(F)F)CC1 ZINC000456933749 560539106 /nfs/dbraw/zinc/53/91/06/560539106.db2.gz KKUHKAULOIFEQG-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000462106713 560797588 /nfs/dbraw/zinc/79/75/88/560797588.db2.gz YQQXVMZWCZCHPW-HSZRJFAPSA-N 0 2 370.408 2.142 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)ccc1[N+](=O)[O-] ZINC000462382295 560807981 /nfs/dbraw/zinc/80/79/81/560807981.db2.gz YOVHHHUDQBKRBK-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COC(=O)c1nscc1S(=O)(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000463440325 560814610 /nfs/dbraw/zinc/81/46/10/560814610.db2.gz FKIRSFPYLYLHJU-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-] ZINC000466961311 560900585 /nfs/dbraw/zinc/90/05/85/560900585.db2.gz ISYDWJXZAIVEFY-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000468343677 560927459 /nfs/dbraw/zinc/92/74/59/560927459.db2.gz IIIAZPOIWYVBMB-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COC(=O)COc1ccc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000468902885 560941793 /nfs/dbraw/zinc/94/17/93/560941793.db2.gz HOGLAIJEDUUDQY-LLVKDONJSA-N 0 2 374.349 2.343 20 5 FEBDLN Cn1c(CCNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc2c1cccc2F ZINC000469668885 560961268 /nfs/dbraw/zinc/96/12/68/560961268.db2.gz ZYZDCRUJSSMBAC-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c([N+](=O)[O-])n1 ZINC000473768507 561057356 /nfs/dbraw/zinc/05/73/56/561057356.db2.gz VQUGMUZDHSCYHX-UHFFFAOYSA-N 0 2 371.322 2.087 20 5 FEBDLN Cc1noc2ncc(S(=O)(=O)Nc3cc(F)cc([N+](=O)[O-])c3)cc12 ZINC000475790473 561105363 /nfs/dbraw/zinc/10/53/63/561105363.db2.gz NNHOKCHMHRIODO-UHFFFAOYSA-N 0 2 352.303 2.379 20 5 FEBDLN O=C(NCc1nc(-c2ccc(F)cc2)n[nH]1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000540951648 562598255 /nfs/dbraw/zinc/59/82/55/562598255.db2.gz IOOJFMFJYOYZOO-UHFFFAOYSA-N 0 2 357.301 2.155 20 5 FEBDLN O=C(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000540951648 562598256 /nfs/dbraw/zinc/59/82/56/562598256.db2.gz IOOJFMFJYOYZOO-UHFFFAOYSA-N 0 2 357.301 2.155 20 5 FEBDLN O=C([O-])c1cc(C(=O)NCCCCNc2cccc[nH+]2)cc([N+](=O)[O-])c1 ZINC000740067212 599705289 /nfs/dbraw/zinc/70/52/89/599705289.db2.gz UMMUQCCBQTXVQP-UHFFFAOYSA-N 0 2 358.354 2.310 20 5 FEBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(n2cc[nH+]c2)CC1 ZINC000740098610 600434021 /nfs/dbraw/zinc/43/40/21/600434021.db2.gz WQIHDIVDFWQDLG-UHFFFAOYSA-N 0 2 361.314 2.239 20 5 FEBDLN CC(C)(NC(=O)C(F)(F)F)c1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000809235455 674488481 /nfs/dbraw/zinc/48/84/81/674488481.db2.gz JMOLITQCWQHNAU-UHFFFAOYSA-N 0 2 359.264 2.141 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740174631 602266847 /nfs/dbraw/zinc/26/68/47/602266847.db2.gz KFVHKOAFTMBQRQ-QWHCGFSZSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740174631 602266849 /nfs/dbraw/zinc/26/68/49/602266849.db2.gz KFVHKOAFTMBQRQ-QWHCGFSZSA-N 0 2 364.402 2.352 20 5 FEBDLN CC1(C)COCC[N@@H+]1CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828077847 604263207 /nfs/dbraw/zinc/26/32/07/604263207.db2.gz AYZZWVOHYOQAKG-UHFFFAOYSA-N 0 2 357.794 2.469 20 5 FEBDLN CC1(C)COCC[N@H+]1CCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000828077847 604263210 /nfs/dbraw/zinc/26/32/10/604263210.db2.gz AYZZWVOHYOQAKG-UHFFFAOYSA-N 0 2 357.794 2.469 20 5 FEBDLN C[C@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832821 605890884 /nfs/dbraw/zinc/89/08/84/605890884.db2.gz URVPDLSUNLDOGH-VHSXEESVSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832821 605890886 /nfs/dbraw/zinc/89/08/86/605890886.db2.gz URVPDLSUNLDOGH-VHSXEESVSA-N 0 2 370.793 2.165 20 5 FEBDLN O=C(NCCc1cn2c([nH+]1)CCCC2)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000565014186 675086571 /nfs/dbraw/zinc/08/65/71/675086571.db2.gz DHIWNEXUXJJTDI-UHFFFAOYSA-N 0 2 364.789 2.459 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000174770173 672362805 /nfs/dbraw/zinc/36/28/05/672362805.db2.gz SHRKAYFHCSISSI-UHFFFAOYSA-N 0 2 354.363 2.450 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc([N+](=O)[O-])c1F ZINC000180082970 672408746 /nfs/dbraw/zinc/40/87/46/672408746.db2.gz GDDXKBUNPUITIM-UHFFFAOYSA-N 0 2 354.363 2.450 20 5 FEBDLN O=C(NC1(c2noc(C(F)F)n2)CCC1)c1ccc([N+](=O)[O-])cc1O ZINC000590436704 672581960 /nfs/dbraw/zinc/58/19/60/672581960.db2.gz DOUXUDZLNHVCMM-UHFFFAOYSA-N 0 2 354.269 2.430 20 5 FEBDLN O=C(c1c(O)cc(F)cc1F)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188539408 672592879 /nfs/dbraw/zinc/59/28/79/672592879.db2.gz JUQOJGWDXCHIHR-UHFFFAOYSA-N 0 2 350.277 2.482 20 5 FEBDLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000611741245 676052939 /nfs/dbraw/zinc/05/29/39/676052939.db2.gz XVTHLPICLZDQSV-UHFFFAOYSA-N 0 2 353.331 2.493 20 5 FEBDLN CO[C@@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C1CC1 ZINC000592352244 672790369 /nfs/dbraw/zinc/79/03/69/672790369.db2.gz WUBHHNLEQACPAP-AWEZNQCLSA-N 0 2 366.399 2.152 20 5 FEBDLN CO[C@@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C1CC1 ZINC000592352244 672790372 /nfs/dbraw/zinc/79/03/72/672790372.db2.gz WUBHHNLEQACPAP-AWEZNQCLSA-N 0 2 366.399 2.152 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1[N+](=O)[O-] ZINC000592381742 672794870 /nfs/dbraw/zinc/79/48/70/672794870.db2.gz CYNKSTHBRPIZMS-UHFFFAOYSA-N 0 2 350.400 2.180 20 5 FEBDLN Cn1nc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000612687621 676093623 /nfs/dbraw/zinc/09/36/23/676093623.db2.gz VVZGKRZGJQAMMS-UHFFFAOYSA-N 0 2 364.358 2.099 20 5 FEBDLN O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539920689 673513280 /nfs/dbraw/zinc/51/32/80/673513280.db2.gz PDVUPVDLICXAOF-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599464898 673679021 /nfs/dbraw/zinc/67/90/21/673679021.db2.gz WNIZXZMJJSWNPH-GFCCVEGCSA-N 0 2 357.407 2.029 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000599464898 673679023 /nfs/dbraw/zinc/67/90/23/673679023.db2.gz WNIZXZMJJSWNPH-GFCCVEGCSA-N 0 2 357.407 2.029 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)cc1[N+](=O)[O-] ZINC000742026881 673704188 /nfs/dbraw/zinc/70/41/88/673704188.db2.gz JQSBHNOGSMCGFT-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN COCCn1c(=O)cc(O)nc1SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746049082 673861850 /nfs/dbraw/zinc/86/18/50/673861850.db2.gz TYGAVGZFNVITEA-UHFFFAOYSA-N 0 2 371.802 2.449 20 5 FEBDLN Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000566976892 675257801 /nfs/dbraw/zinc/25/78/01/675257801.db2.gz QBKLPHDCOOSYMU-SECBINFHSA-N 0 2 350.762 2.317 20 5 FEBDLN COc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc(OC)c1 ZINC000619466319 676377986 /nfs/dbraw/zinc/37/79/86/676377986.db2.gz MQXVCUGSYCMITH-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000619507236 676382703 /nfs/dbraw/zinc/38/27/03/676382703.db2.gz RYVOMEBUHXUINP-UHFFFAOYSA-N 0 2 366.327 2.193 20 5 FEBDLN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000619868235 676397754 /nfs/dbraw/zinc/39/77/54/676397754.db2.gz CZCGGXMOXLJTMI-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1 ZINC000748207074 679941881 /nfs/dbraw/zinc/94/18/81/679941881.db2.gz CTPDTPRSMZYNTG-AWEZNQCLSA-N 0 2 365.411 2.437 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C1CC1 ZINC000769868818 680997893 /nfs/dbraw/zinc/99/78/93/680997893.db2.gz CPULIZKNTYHVIR-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc3c(cc2C)OCO3)c([N+](=O)[O-])c1 ZINC000781116098 681903294 /nfs/dbraw/zinc/90/32/94/681903294.db2.gz XXRVCAVDUNNTJS-UHFFFAOYSA-N 0 2 366.351 2.441 20 5 FEBDLN COc1cc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c(F)cc1[N+](=O)[O-] ZINC000866283960 684088201 /nfs/dbraw/zinc/08/82/01/684088201.db2.gz HDAJVLZGZYIRGZ-CYBMUJFWSA-N 0 2 365.283 2.390 20 5 FEBDLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000025146769 539749678 /nfs/dbraw/zinc/74/96/78/539749678.db2.gz YNZDMNBJTLJICL-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c([N+](=O)[O-])c1 ZINC000028241977 539828264 /nfs/dbraw/zinc/82/82/64/539828264.db2.gz QKOQBHZNJPFOKS-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN NC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000028258478 539829218 /nfs/dbraw/zinc/82/92/18/539829218.db2.gz KPJBAHCNYSPECN-UHFFFAOYSA-N 0 2 355.759 2.148 20 5 FEBDLN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031191923 539901363 /nfs/dbraw/zinc/90/13/63/539901363.db2.gz HNXIXFQNMGQENF-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)c([N+](=O)[O-])c1 ZINC000066249944 541295073 /nfs/dbraw/zinc/29/50/73/541295073.db2.gz BDIWSEBVGUSEQW-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000066574955 541339097 /nfs/dbraw/zinc/33/90/97/541339097.db2.gz LEZFRRDTTFZZIJ-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000069147854 541663115 /nfs/dbraw/zinc/66/31/15/541663115.db2.gz KBRTWPUSWQKSGT-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000055582353 205221233 /nfs/dbraw/zinc/22/12/33/205221233.db2.gz UTNSHXKCQXKFIK-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(OC)c1 ZINC000105546928 543176703 /nfs/dbraw/zinc/17/67/03/543176703.db2.gz VEVPQOAQTCELCZ-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301536 543650247 /nfs/dbraw/zinc/65/02/47/543650247.db2.gz FNSHZWSREBBYPD-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000118493699 543652395 /nfs/dbraw/zinc/65/23/95/543652395.db2.gz CFLNYPUWHALUBL-UHFFFAOYSA-N 0 2 360.717 2.386 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131021934 544174297 /nfs/dbraw/zinc/17/42/97/544174297.db2.gz ZHGWAHNXBCLOLC-CYBMUJFWSA-N 0 2 373.340 2.365 20 5 FEBDLN COc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c1 ZINC000179388716 327640339 /nfs/dbraw/zinc/64/03/39/327640339.db2.gz BIQNUFMJAIGPTE-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000187963092 328056836 /nfs/dbraw/zinc/05/68/36/328056836.db2.gz XJNGKJSEYSBSAE-NSHDSACASA-N 0 2 354.388 2.108 20 5 FEBDLN O=C(c1cc(F)c(O)c(F)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000188525448 328092888 /nfs/dbraw/zinc/09/28/88/328092888.db2.gz VZWQFJDLESRREC-UHFFFAOYSA-N 0 2 350.277 2.482 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000119832629 326203007 /nfs/dbraw/zinc/20/30/07/326203007.db2.gz KUWJBDTXNOHRPX-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(N[C@@H](C[NH+]1CCOCC1)c1ccccc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130368465 326555680 /nfs/dbraw/zinc/55/56/80/326555680.db2.gz WYNSBUCDCINFJT-INIZCTEOSA-N 0 2 371.393 2.104 20 5 FEBDLN CC(C)(C)OC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000272465158 329783412 /nfs/dbraw/zinc/78/34/12/329783412.db2.gz YHVOUSHZPSBJPS-UHFFFAOYSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OC2COC2)cc1 ZINC000275617102 330070729 /nfs/dbraw/zinc/07/07/29/330070729.db2.gz GZFOOUSHSMIUGD-UHFFFAOYSA-N 0 2 364.379 2.482 20 5 FEBDLN COc1ccccc1[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000367093631 330216040 /nfs/dbraw/zinc/21/60/40/330216040.db2.gz UORNWGYBTVZVBX-CQSZACIVSA-N 0 2 357.366 2.096 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)c1 ZINC000367139399 330221421 /nfs/dbraw/zinc/22/14/21/330221421.db2.gz XESVZRBROOSXHT-CQSZACIVSA-N 0 2 350.352 2.212 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000158597107 545875871 /nfs/dbraw/zinc/87/58/71/545875871.db2.gz MEGXVEFOVHSXLF-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000183901538 547736540 /nfs/dbraw/zinc/73/65/40/547736540.db2.gz LVGRJNUBFORJCA-HSMVNMDESA-N 0 2 351.403 2.373 20 5 FEBDLN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000185649704 548015217 /nfs/dbraw/zinc/01/52/17/548015217.db2.gz RZIRCDGKOWSPST-JOCHJYFZSA-N 0 2 354.409 2.274 20 5 FEBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cncn2)cc1 ZINC000194740785 548525097 /nfs/dbraw/zinc/52/50/97/548525097.db2.gz YWVWKMJBDHFVOV-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN CC(C)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)NCC(F)(F)F ZINC000195134262 548582958 /nfs/dbraw/zinc/58/29/58/548582958.db2.gz PGJMWRSEUFVLSL-UHFFFAOYSA-N 0 2 355.338 2.202 20 5 FEBDLN COc1ncc(C)cc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000488294044 561387578 /nfs/dbraw/zinc/38/75/78/561387578.db2.gz KLPHZAJCNQNPCI-UHFFFAOYSA-N 0 2 371.346 2.255 20 5 FEBDLN COc1cc(OC)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000488438769 561389958 /nfs/dbraw/zinc/38/99/58/561389958.db2.gz YHRIDUHMYAJODO-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cccc2c1OCO2 ZINC000490373306 561431918 /nfs/dbraw/zinc/43/19/18/561431918.db2.gz SFGVBAWZWJHWJR-UHFFFAOYSA-N 0 2 353.294 2.361 20 5 FEBDLN CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262899564 549860610 /nfs/dbraw/zinc/86/06/10/549860610.db2.gz HZPJQIKDNVKZCS-QGZVFWFLSA-N 0 2 360.370 2.400 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000263667851 549916069 /nfs/dbraw/zinc/91/60/69/549916069.db2.gz IDUXUGIAKAEKBL-LLVKDONJSA-N 0 2 365.386 2.287 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)C[C@@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000276736510 550590406 /nfs/dbraw/zinc/59/04/06/550590406.db2.gz AESYCEJKHOOTGS-LBPRGKRZSA-N 0 2 372.399 2.001 20 5 FEBDLN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000278353242 550775945 /nfs/dbraw/zinc/77/59/45/550775945.db2.gz GQOSDYVBQKHMRD-NSHDSACASA-N 0 2 369.374 2.169 20 5 FEBDLN COCc1ncc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)s1 ZINC000496057022 561492132 /nfs/dbraw/zinc/49/21/32/561492132.db2.gz XDOHPTHOQZNWCB-UHFFFAOYSA-N 0 2 360.355 2.235 20 5 FEBDLN COCc1ncsc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000496131837 561492503 /nfs/dbraw/zinc/49/25/03/561492503.db2.gz YBHHDBKUFUZFLA-UHFFFAOYSA-N 0 2 360.355 2.235 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-])c1ccccc1 ZINC000281283466 551080972 /nfs/dbraw/zinc/08/09/72/551080972.db2.gz QJCGQQQKANIITP-CQSZACIVSA-N 0 2 370.361 2.414 20 5 FEBDLN Cc1cc(NCCNC(=O)c2cccc([O-])c2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600363971 553256903 /nfs/dbraw/zinc/25/69/03/553256903.db2.gz DMKBKIZYTBLPDT-UHFFFAOYSA-N 0 2 359.386 2.364 20 5 FEBDLN COc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(OC)c1OC ZINC000505214093 561668121 /nfs/dbraw/zinc/66/81/21/561668121.db2.gz WCRQRWLTMAWBGJ-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000327900745 553791887 /nfs/dbraw/zinc/79/18/87/553791887.db2.gz XDYYDJIFAMSBEW-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN CCn1cc(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000330865021 554180606 /nfs/dbraw/zinc/18/06/06/554180606.db2.gz YSANQBJCMFYNIO-JTQLQIEISA-N 0 2 370.353 2.211 20 5 FEBDLN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366731689 555920179 /nfs/dbraw/zinc/92/01/79/555920179.db2.gz UVTKISKLALYUJE-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(O)ccc1[N+](=O)[O-] ZINC000366731689 555920180 /nfs/dbraw/zinc/92/01/80/555920180.db2.gz UVTKISKLALYUJE-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN C[C@H]1[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000367632553 556101326 /nfs/dbraw/zinc/10/13/26/556101326.db2.gz DUFLHPXRFBKYGD-BLLLJJGKSA-N 0 2 369.377 2.220 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000367675427 556111721 /nfs/dbraw/zinc/11/17/21/556111721.db2.gz PLTKRVDBAPFQRD-LLVKDONJSA-N 0 2 373.369 2.002 20 5 FEBDLN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cc([N+](=O)[O-])ccc1O ZINC000367753460 556130623 /nfs/dbraw/zinc/13/06/23/556130623.db2.gz RPWODMKNIZJVON-RISCZKNCSA-N 0 2 374.353 2.211 20 5 FEBDLN COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc(OC)c1 ZINC000515624098 562017340 /nfs/dbraw/zinc/01/73/40/562017340.db2.gz MTQSZAQHPDKWEP-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000369251620 556550033 /nfs/dbraw/zinc/55/00/33/556550033.db2.gz CKGODHBPWBWSJM-HNNXBMFYSA-N 0 2 373.340 2.317 20 5 FEBDLN COCc1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n1 ZINC000516805713 562058587 /nfs/dbraw/zinc/05/85/87/562058587.db2.gz VFOINRAYSACEHL-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc21 ZINC000371771360 557289139 /nfs/dbraw/zinc/28/91/39/557289139.db2.gz CJVRJNGZNOMQKZ-KGLIPLIRSA-N 0 2 356.334 2.432 20 5 FEBDLN C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373742905 557749553 /nfs/dbraw/zinc/74/95/53/557749553.db2.gz GDGFHZVQYUUMDH-PSTGCABASA-N 0 2 350.371 2.099 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c(F)c1 ZINC000526005041 562263274 /nfs/dbraw/zinc/26/32/74/562263274.db2.gz TXNRFOHYZDAVQW-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(Cc2ccccn2)n1 ZINC000432373320 559857612 /nfs/dbraw/zinc/85/76/12/559857612.db2.gz OUYAILKWEZNOLO-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C)c([N+](=O)[O-])c1 ZINC000435197961 559917809 /nfs/dbraw/zinc/91/78/09/559917809.db2.gz LVZVCKFSGHAWIU-UHFFFAOYSA-N 0 2 362.367 2.291 20 5 FEBDLN COC(=O)CN(CCc1ccccc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436669664 559948325 /nfs/dbraw/zinc/94/83/25/559948325.db2.gz AYDBEALONSENCQ-UHFFFAOYSA-N 0 2 358.350 2.158 20 5 FEBDLN COC(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000436673512 559948434 /nfs/dbraw/zinc/94/84/34/559948434.db2.gz RFFBIOVWRWISHF-AWEZNQCLSA-N 0 2 362.313 2.474 20 5 FEBDLN COC(=O)[C@@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436830200 559953334 /nfs/dbraw/zinc/95/33/34/559953334.db2.gz CRCPPZFEWRVXKD-KRWDZBQOSA-N 0 2 362.313 2.258 20 5 FEBDLN COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc(C(=O)OC)c1 ZINC000436869904 559954915 /nfs/dbraw/zinc/95/49/15/559954915.db2.gz LVVOOXVZQGQAGQ-UHFFFAOYSA-N 0 2 374.305 2.126 20 5 FEBDLN O=C(Nc1ccccc1)[C@H]1CSCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436953383 559957204 /nfs/dbraw/zinc/95/72/04/559957204.db2.gz OWLORSULICFLSS-CQSZACIVSA-N 0 2 373.390 2.454 20 5 FEBDLN NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436949068 559957240 /nfs/dbraw/zinc/95/72/40/559957240.db2.gz JNJOJMXCAHFHSX-UHFFFAOYSA-N 0 2 370.365 2.252 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(C)cc1 ZINC000436980994 559958346 /nfs/dbraw/zinc/95/83/46/559958346.db2.gz BCHLHDUPQRZHSB-HNNXBMFYSA-N 0 2 358.350 2.295 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)s1 ZINC000436984878 559958514 /nfs/dbraw/zinc/95/85/14/559958514.db2.gz NVAPKNFTMOKGON-UHFFFAOYSA-N 0 2 370.408 2.086 20 5 FEBDLN CCOc1cccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)n1 ZINC000436985764 559958531 /nfs/dbraw/zinc/95/85/31/559958531.db2.gz PBRXXEBCKDMDEE-UHFFFAOYSA-N 0 2 372.381 2.057 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cs1 ZINC000438786101 559983751 /nfs/dbraw/zinc/98/37/51/559983751.db2.gz QRHUYDBBGZWHJA-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN CCCCCc1nnc(NS(=O)(=O)c2cn(CC)nc2[N+](=O)[O-])s1 ZINC000443421437 560083742 /nfs/dbraw/zinc/08/37/42/560083742.db2.gz XJUVEAPNEFFEIA-UHFFFAOYSA-N 0 2 374.448 2.196 20 5 FEBDLN COc1cnccc1[C@@H](C)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000445702509 560134045 /nfs/dbraw/zinc/13/40/45/560134045.db2.gz OXKXWCPOYRKURV-SECBINFHSA-N 0 2 355.347 2.177 20 5 FEBDLN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1C ZINC000463471283 560816276 /nfs/dbraw/zinc/81/62/76/560816276.db2.gz QZQRCHDZPZLTNU-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1cccc2cccnc21 ZINC000469624473 560960019 /nfs/dbraw/zinc/96/00/19/560960019.db2.gz ZLTIXVGDIAXOSS-UHFFFAOYSA-N 0 2 366.333 2.217 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000474578957 561077350 /nfs/dbraw/zinc/07/73/50/561077350.db2.gz VLQBWQFOSXXACF-UHFFFAOYSA-N 0 2 371.328 2.361 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nnc(C(F)F)s2)c([N+](=O)[O-])c1 ZINC000533689279 562516149 /nfs/dbraw/zinc/51/61/49/562516149.db2.gz DLEZGUZSSAZRBF-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000738637711 602386776 /nfs/dbraw/zinc/38/67/76/602386776.db2.gz KJCIPRNCOKZJNU-LBPRGKRZSA-N 0 2 364.402 2.244 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@H](NC(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000833954240 605816282 /nfs/dbraw/zinc/81/62/82/605816282.db2.gz HMEBFQSXQGICEB-GJZGRUSLSA-N 0 2 359.386 2.054 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)cc1C ZINC000822259057 607154457 /nfs/dbraw/zinc/15/44/57/607154457.db2.gz LEBQOHJGQARAMX-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000560531770 674597862 /nfs/dbraw/zinc/59/78/62/674597862.db2.gz LQTNULHGBNSBNF-VIFPVBQESA-N 0 2 350.331 2.053 20 5 FEBDLN O=C(Nc1ncc(C(F)(F)F)cc1Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000817449745 675134684 /nfs/dbraw/zinc/13/46/84/675134684.db2.gz UXUUPFJSWKTKOV-IYSWYEEDSA-N 0 2 354.082 2.467 20 5 FEBDLN COCCOc1ncccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609068262 675909861 /nfs/dbraw/zinc/90/98/61/675909861.db2.gz BVSUGTRBKCRNAA-UHFFFAOYSA-N 0 2 367.383 2.124 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000581251181 671878569 /nfs/dbraw/zinc/87/85/69/671878569.db2.gz GPMJXZPZNZRZFF-LBPRGKRZSA-N 0 2 368.371 2.193 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)c1 ZINC000120641529 671931105 /nfs/dbraw/zinc/93/11/05/671931105.db2.gz VFMWGIHYZGIADS-UHFFFAOYSA-N 0 2 367.358 2.203 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccn3n2)ccc1Cl ZINC000130701807 672078538 /nfs/dbraw/zinc/07/85/38/672078538.db2.gz IHXRCGUFQSRINX-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)s1 ZINC000594488711 673091576 /nfs/dbraw/zinc/09/15/76/673091576.db2.gz UUDORXVRHTYXKP-JGVFFNPUSA-N 0 2 374.362 2.435 20 5 FEBDLN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000538871926 673463874 /nfs/dbraw/zinc/46/38/74/673463874.db2.gz BIVXDVMUBOIOOB-ZDUSSCGKSA-N 0 2 352.391 2.361 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000614272385 676167775 /nfs/dbraw/zinc/16/77/75/676167775.db2.gz LRWDXKKJORUFLL-VIFPVBQESA-N 0 2 368.342 2.240 20 5 FEBDLN Cc1nn(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F ZINC000820797199 675389388 /nfs/dbraw/zinc/38/93/88/675389388.db2.gz DMHDQQJQWRRLSQ-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c(OC)n1 ZINC000604471258 675805332 /nfs/dbraw/zinc/80/53/32/675805332.db2.gz QRYBTANOONEYLO-UHFFFAOYSA-N 0 2 373.774 2.461 20 5 FEBDLN O=C(Cc1cc[nH]c(=O)c1Br)Nc1cc([N+](=O)[O-])ccc1O ZINC000618469139 676340888 /nfs/dbraw/zinc/34/08/88/676340888.db2.gz ZLLFLEZDZJEGLV-UHFFFAOYSA-N 0 2 368.143 2.345 20 5 FEBDLN CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc2c1CCSC2 ZINC000841014106 680859727 /nfs/dbraw/zinc/85/97/27/680859727.db2.gz UTAHMONYMAZYOE-RKDXNWHRSA-N 0 2 356.425 2.318 20 5 FEBDLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2[N+](=O)[O-])cn1C ZINC000753077286 680273776 /nfs/dbraw/zinc/27/37/76/680273776.db2.gz GIQSFWOWQBPVBG-UHFFFAOYSA-N 0 2 371.346 2.050 20 5 FEBDLN CCN(CCNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC(C)(C)C ZINC000753815143 680317141 /nfs/dbraw/zinc/31/71/41/680317141.db2.gz BLDSBGVMBARISB-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nc1 ZINC000758431081 680579127 /nfs/dbraw/zinc/57/91/27/680579127.db2.gz ZRPZEGXKGMYYSM-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN CS(=O)(=O)c1ccc(F)c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000760197873 680679560 /nfs/dbraw/zinc/67/95/60/680679560.db2.gz MQRRKMDGKANPOK-UHFFFAOYSA-N 0 2 354.315 2.095 20 5 FEBDLN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1O)NC(=O)OC(C)(C)C ZINC000772663812 681107355 /nfs/dbraw/zinc/10/73/55/681107355.db2.gz KIDWVYADRLWBAL-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000773473932 681143715 /nfs/dbraw/zinc/14/37/15/681143715.db2.gz HGBUEDVHNOWGJO-SNVBAGLBSA-N 0 2 353.375 2.191 20 5 FEBDLN CC1=NC(=S)N[C@H](c2ccc(O)c([N+](=O)[O-])c2)C1C(=O)OCC(C)C ZINC000916191180 685522548 /nfs/dbraw/zinc/52/25/48/685522548.db2.gz RMLRSVCFXWYCOL-CQSZACIVSA-N 0 2 365.411 2.292 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000866283910 684088332 /nfs/dbraw/zinc/08/83/32/684088332.db2.gz FQOKTXSAVGJDPZ-NSHDSACASA-N 0 2 352.700 2.291 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2cncn2)cc1 ZINC000018160067 539647145 /nfs/dbraw/zinc/64/71/45/539647145.db2.gz PIIUGYCHUZHKII-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN CS(=O)(=O)Nc1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)ccc1F ZINC000026293294 539781937 /nfs/dbraw/zinc/78/19/37/539781937.db2.gz DBZOBWIWTROOKK-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063106021 541156767 /nfs/dbraw/zinc/15/67/67/541156767.db2.gz WSSXRFWRXAMCRW-CQSZACIVSA-N 0 2 360.366 2.087 20 5 FEBDLN Cc1cccnc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000069674209 541703597 /nfs/dbraw/zinc/70/35/97/541703597.db2.gz LFXVQGARNUFXIB-UHFFFAOYSA-N 0 2 372.200 2.862 20 5 FEBDLN O=C(OC[C@H]1CCOC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387055 674125284 /nfs/dbraw/zinc/12/52/84/674125284.db2.gz RGUBMAUPEBRURK-VIFPVBQESA-N 0 2 367.745 2.333 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000074049872 542029466 /nfs/dbraw/zinc/02/94/66/542029466.db2.gz FPIYQXIRMODLNG-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000093929272 542946343 /nfs/dbraw/zinc/94/63/43/542946343.db2.gz KVAOGAGNJIHJNB-UHFFFAOYSA-N 0 2 368.415 2.263 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2oc(=O)n(C)c2c1 ZINC000102320822 543064984 /nfs/dbraw/zinc/06/49/84/543064984.db2.gz OAMOZKZZBUWPBA-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000125343875 543876326 /nfs/dbraw/zinc/87/63/26/543876326.db2.gz PJZQUOMHLIKHRM-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1O ZINC000125343875 543876329 /nfs/dbraw/zinc/87/63/29/543876329.db2.gz PJZQUOMHLIKHRM-UHFFFAOYSA-N 0 2 353.338 2.058 20 5 FEBDLN CCn1nnnc1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000132311012 544226836 /nfs/dbraw/zinc/22/68/36/544226836.db2.gz KOYNSSLXPRIRRH-UHFFFAOYSA-N 0 2 354.326 2.226 20 5 FEBDLN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000802838397 674201379 /nfs/dbraw/zinc/20/13/79/674201379.db2.gz WNKSWTHDXXIIEB-JTQLQIEISA-N 0 2 353.375 2.191 20 5 FEBDLN CCCc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(C)n1 ZINC000179839326 327661985 /nfs/dbraw/zinc/66/19/85/327661985.db2.gz UPZCTUNAXOQUBQ-UHFFFAOYSA-N 0 2 354.388 2.090 20 5 FEBDLN O=C(NC1CCC(O)(c2cccnc2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000187570559 328033816 /nfs/dbraw/zinc/03/38/16/328033816.db2.gz QFDCJZZIEMYDBX-UHFFFAOYSA-N 0 2 357.366 2.256 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000187974149 328057522 /nfs/dbraw/zinc/05/75/22/328057522.db2.gz DDYGOXOELXTQEZ-LLVKDONJSA-N 0 2 354.388 2.108 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191799376 328282497 /nfs/dbraw/zinc/28/24/97/328282497.db2.gz YIONWRAGTTVIOG-LBPRGKRZSA-N 0 2 368.415 2.416 20 5 FEBDLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000055589952 324782233 /nfs/dbraw/zinc/78/22/33/324782233.db2.gz OIGJARJHGBYTGG-UHFFFAOYSA-N 0 2 362.314 2.337 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] ZINC000119102211 326127436 /nfs/dbraw/zinc/12/74/36/326127436.db2.gz QUTMFHRRNZTMFW-UHFFFAOYSA-N 0 2 353.381 2.009 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2ccnn2)cc1 ZINC000152577420 326710782 /nfs/dbraw/zinc/71/07/82/326710782.db2.gz BAACWOIFWZEIQD-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN COc1ccccc1N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000155568584 326793950 /nfs/dbraw/zinc/79/39/50/326793950.db2.gz AIWUBOXRBMDBJF-CYBMUJFWSA-N 0 2 357.366 2.318 20 5 FEBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000161786751 327008975 /nfs/dbraw/zinc/00/89/75/327008975.db2.gz CRVBITGWZXFYDZ-UHFFFAOYSA-N 0 2 361.177 2.190 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000171343299 327133559 /nfs/dbraw/zinc/13/35/59/327133559.db2.gz XCOQEKASDSULEO-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172315918 327195247 /nfs/dbraw/zinc/19/52/47/327195247.db2.gz SXOXSKYGNMZHFQ-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C1CC1 ZINC000265987928 329179355 /nfs/dbraw/zinc/17/93/55/329179355.db2.gz PPINKKFAZOQXTH-LBPRGKRZSA-N 0 2 365.386 2.334 20 5 FEBDLN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274763169 329977881 /nfs/dbraw/zinc/97/78/81/329977881.db2.gz NXPHQEORRIIJIN-SNVBAGLBSA-N 0 2 353.375 2.286 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000480004203 561201074 /nfs/dbraw/zinc/20/10/74/561201074.db2.gz NMYZKSMBUSTNFY-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)[nH]n1 ZINC000481851566 561243975 /nfs/dbraw/zinc/24/39/75/561243975.db2.gz ABRCJMYYGMLTBD-LBPRGKRZSA-N 0 2 352.372 2.279 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(I)c[nH]1 ZINC000180777395 547177373 /nfs/dbraw/zinc/17/73/73/547177373.db2.gz JDDJXXUHMWORSX-UHFFFAOYSA-N 0 2 373.106 2.485 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1c[nH]c(=O)c(Br)c1 ZINC000183904216 547736350 /nfs/dbraw/zinc/73/63/50/547736350.db2.gz NYZAENXOSKUPBQ-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C ZINC000485097396 561312540 /nfs/dbraw/zinc/31/25/40/561312540.db2.gz FLHWSGBVMZGXPZ-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN O=C(Nc1cc(Br)c[nH]c1=O)c1ccc([N+](=O)[O-])cc1O ZINC000186268024 548109594 /nfs/dbraw/zinc/10/95/94/548109594.db2.gz GEBZDAGDOSDJQN-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C2=O ZINC000489920410 561422458 /nfs/dbraw/zinc/42/24/58/561422458.db2.gz BUOVAXVIJZRTAO-JTQLQIEISA-N 0 2 369.333 2.232 20 5 FEBDLN Cc1cnn(-c2c(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(C)nn2C)c1 ZINC000489956970 561423384 /nfs/dbraw/zinc/42/33/84/561423384.db2.gz UCPIPFZPDQEYJD-UHFFFAOYSA-N 0 2 356.342 2.089 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000276940663 550613534 /nfs/dbraw/zinc/61/35/34/550613534.db2.gz SCEMRBYLZDZQFJ-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN CCN(CCNC(=O)c1cccc(O)c1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000280755581 551028922 /nfs/dbraw/zinc/02/89/22/551028922.db2.gz AMUUUXSDCNEENT-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN O=[N+]([O-])c1ccc(CCS(=O)(=O)N[C@H](C2CC2)C(F)(F)F)cc1 ZINC000288621577 552186891 /nfs/dbraw/zinc/18/68/91/552186891.db2.gz MNUUOPZUAYUNDD-GFCCVEGCSA-N 0 2 352.334 2.398 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc(C3CC3)n(C)n2)cc([N+](=O)[O-])c1F ZINC000290561188 552498329 /nfs/dbraw/zinc/49/83/29/552498329.db2.gz RTYZVDWZSAOWRV-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN COC(=O)c1ncc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000508084561 561750810 /nfs/dbraw/zinc/75/08/10/561750810.db2.gz MZPYXOMLVVZWLV-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN O=C(N=c1ccc(C2CC2)n[nH]1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 ZINC000609693604 554413126 /nfs/dbraw/zinc/41/31/26/554413126.db2.gz FAKWUVHJTNGWNL-LBPRGKRZSA-N 0 2 371.353 2.099 20 5 FEBDLN Cc1n[nH]c(NC(=O)[C@@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)n1 ZINC000363385294 555091875 /nfs/dbraw/zinc/09/18/75/555091875.db2.gz XGBVNXKSOWUCLW-HIFRSBDPSA-N 0 2 356.386 2.191 20 5 FEBDLN Cc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cnn1CC1CCOCC1 ZINC000364494606 555323999 /nfs/dbraw/zinc/32/39/99/555323999.db2.gz ZGPYNIPZYQEVPH-UHFFFAOYSA-N 0 2 360.370 2.484 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccnc1-c1cnn(C)c1 ZINC000364917856 555437048 /nfs/dbraw/zinc/43/70/48/555437048.db2.gz YPTYRXSTSTWPOR-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CN1Cc2cc(-c3csc(NC(=O)[C@@H]4C[C@H]4[N+](=O)[O-])n3)ccc2NC1=O ZINC000365421936 555570631 /nfs/dbraw/zinc/57/06/31/555570631.db2.gz UIZMXWDBLFQZIO-ZWNOBZJWSA-N 0 2 373.394 2.391 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCN(c2cncc(F)c2)CC1 ZINC000367696525 556117546 /nfs/dbraw/zinc/11/75/46/556117546.db2.gz HQKVWLPSKWGZQA-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000368219803 556251574 /nfs/dbraw/zinc/25/15/74/556251574.db2.gz ARIPSUKVBXEQQR-AWEZNQCLSA-N 0 2 350.371 2.101 20 5 FEBDLN CN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000368384204 556293415 /nfs/dbraw/zinc/29/34/15/556293415.db2.gz USRYOGZHQXZLGO-SUMWQHHRSA-N 0 2 355.350 2.459 20 5 FEBDLN CN1C(=O)C[C@@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1ccccc1 ZINC000368384201 556293430 /nfs/dbraw/zinc/29/34/30/556293430.db2.gz USRYOGZHQXZLGO-CXAGYDPISA-N 0 2 355.350 2.459 20 5 FEBDLN O=C(c1cc(F)c(F)c(O)c1F)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000368422836 556304906 /nfs/dbraw/zinc/30/49/06/556304906.db2.gz SQQAFTKBXCIPQV-QMMMGPOBSA-N 0 2 370.287 2.392 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000369962601 556742610 /nfs/dbraw/zinc/74/26/10/556742610.db2.gz NZIDZPADNJVOKO-ZDUSSCGKSA-N 0 2 371.349 2.249 20 5 FEBDLN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000517021126 562071829 /nfs/dbraw/zinc/07/18/29/562071829.db2.gz JYSCMWCLDNJTKC-SWLSCSKDSA-N 0 2 372.377 2.451 20 5 FEBDLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)s1 ZINC000372492698 557484830 /nfs/dbraw/zinc/48/48/30/557484830.db2.gz FNLWHWOYWOZTPV-UHFFFAOYSA-N 0 2 372.413 2.007 20 5 FEBDLN CC[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373696808 557740573 /nfs/dbraw/zinc/74/05/73/557740573.db2.gz PESPLQZOINNFCY-CXAGYDPISA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000373873302 557777782 /nfs/dbraw/zinc/77/77/82/557777782.db2.gz VOXNNJXBRRLXQE-OLZOCXBDSA-N 0 2 361.398 2.211 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000376066799 558122305 /nfs/dbraw/zinc/12/23/05/558122305.db2.gz KLZXZDKOZFHHRY-NSHDSACASA-N 0 2 357.370 2.316 20 5 FEBDLN CN(C(=O)[C@H]1CC12CCN(C(=O)c1cc(O)ccc1[N+](=O)[O-])CC2)C1CC1 ZINC000376088805 558125299 /nfs/dbraw/zinc/12/52/99/558125299.db2.gz NDRAVFMCYUDIQU-OAHLLOKOSA-N 0 2 373.409 2.164 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000376323384 558157869 /nfs/dbraw/zinc/15/78/69/558157869.db2.gz VADKPUNXLNTFER-HNNXBMFYSA-N 0 2 373.409 2.165 20 5 FEBDLN C[NH+](C)[C@@]1(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])CCOc2ccccc21 ZINC000378427660 558554574 /nfs/dbraw/zinc/55/45/74/558554574.db2.gz YDOOOGYBOJPGIG-SFHVURJKSA-N 0 2 357.366 2.479 20 5 FEBDLN CCOc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cncc(OC)c1 ZINC000410410194 558755901 /nfs/dbraw/zinc/75/59/01/558755901.db2.gz WZSZQSMKZMMBAV-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN O=C(Nc1ccc(-c2nc(=O)o[nH]2)cc1)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000525964115 562261447 /nfs/dbraw/zinc/26/14/47/562261447.db2.gz BNWPFNWRPGEWFW-UHFFFAOYSA-N 0 2 366.293 2.067 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414367699 559158878 /nfs/dbraw/zinc/15/88/78/559158878.db2.gz BAMSNLLARDAAGO-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274749 559660374 /nfs/dbraw/zinc/66/03/74/559660374.db2.gz ZJJVDGBAMPGNAD-MEDUHNTESA-N 0 2 365.386 2.117 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274749 559660375 /nfs/dbraw/zinc/66/03/75/559660375.db2.gz ZJJVDGBAMPGNAD-MEDUHNTESA-N 0 2 365.386 2.117 20 5 FEBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cccc1N1CCNC1=O ZINC000427981590 559766913 /nfs/dbraw/zinc/76/69/13/559766913.db2.gz WEHPPENFVBLTDB-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN COC(=O)[C@](C)(NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ccc(F)cc1 ZINC000428570122 559778498 /nfs/dbraw/zinc/77/84/98/559778498.db2.gz VAEQITNYPFJFOW-QGZVFWFLSA-N 0 2 362.313 2.258 20 5 FEBDLN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436562095 559945462 /nfs/dbraw/zinc/94/54/62/559945462.db2.gz JNEZGOQANFBROE-LLVKDONJSA-N 0 2 366.320 2.160 20 5 FEBDLN O=C(N[C@H]1CCN(C(=O)Nc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000436687394 559948882 /nfs/dbraw/zinc/94/88/82/559948882.db2.gz IFMGCCHDAIQDFS-ZDUSSCGKSA-N 0 2 370.365 2.337 20 5 FEBDLN O=C(NCc1ccn(Cc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436716765 559949774 /nfs/dbraw/zinc/94/97/74/559949774.db2.gz ADSDVRMVLXGJQM-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cc([N+](=O)[O-])ccc1O ZINC000436749427 559950870 /nfs/dbraw/zinc/95/08/70/559950870.db2.gz TUJDVQHMWQPEKN-LBPRGKRZSA-N 0 2 373.365 2.041 20 5 FEBDLN C[C@@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC(=O)N1Cc1ccccc1 ZINC000436782216 559951926 /nfs/dbraw/zinc/95/19/26/559951926.db2.gz MPNPHZIASWBKSL-WBMJQRKESA-N 0 2 369.377 2.220 20 5 FEBDLN COCCOCc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436826047 559953490 /nfs/dbraw/zinc/95/34/90/559953490.db2.gz JCODCPVOGDCKRX-UHFFFAOYSA-N 0 2 360.366 2.393 20 5 FEBDLN O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436870647 559954972 /nfs/dbraw/zinc/95/49/72/559954972.db2.gz QSJVNYHVCUBGDG-CRAIPNDOSA-N 0 2 360.341 2.336 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)c(F)c1 ZINC000446971216 560154581 /nfs/dbraw/zinc/15/45/81/560154581.db2.gz DAHFYHHQDCQYQI-UHFFFAOYSA-N 0 2 369.359 2.381 20 5 FEBDLN CCN1C(=O)C[C@H](C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[C@H]1c1cccnc1 ZINC000450537007 560265556 /nfs/dbraw/zinc/26/55/56/560265556.db2.gz BNSGKSMYXGMFRO-SUMWQHHRSA-N 0 2 370.365 2.244 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452950735 560378896 /nfs/dbraw/zinc/37/88/96/560378896.db2.gz YGWCUHYSQJZUCV-CRAIPNDOSA-N 0 2 360.341 2.241 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452950739 560378997 /nfs/dbraw/zinc/37/89/97/560378997.db2.gz YGWCUHYSQJZUCV-QAPCUYQASA-N 0 2 360.341 2.241 20 5 FEBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@@H]1C ZINC000456644295 560527057 /nfs/dbraw/zinc/52/70/57/560527057.db2.gz OCTBDQJUBODNGG-NWDGAFQWSA-N 0 2 369.377 2.397 20 5 FEBDLN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000456729298 560531005 /nfs/dbraw/zinc/53/10/05/560531005.db2.gz JOHVEIPZUFCGTC-JTQLQIEISA-N 0 2 361.320 2.257 20 5 FEBDLN CCOc1cccc(CN(CCO)C(=O)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000456960988 560540590 /nfs/dbraw/zinc/54/05/90/560540590.db2.gz HGTQOEXHUJVESH-UHFFFAOYSA-N 0 2 360.366 2.334 20 5 FEBDLN CCOc1cccc(CN(CCO)C(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000456963180 560540822 /nfs/dbraw/zinc/54/08/22/560540822.db2.gz JXAAZCGHSHBIQS-UHFFFAOYSA-N 0 2 360.366 2.334 20 5 FEBDLN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@@H]1O ZINC000458039189 560600578 /nfs/dbraw/zinc/60/05/78/560600578.db2.gz FXUHLPXNZIOQQP-OCCSQVGLSA-N 0 2 364.379 2.365 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)c1 ZINC000530284291 562405294 /nfs/dbraw/zinc/40/52/94/562405294.db2.gz TYDUNKHIADSGHQ-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN CS(=O)(=O)Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000534068090 562524623 /nfs/dbraw/zinc/52/46/23/562524623.db2.gz JJFINEURUUOBPF-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN Cc1ccccc1[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NC(N)=O ZINC000535517371 562560346 /nfs/dbraw/zinc/56/03/46/562560346.db2.gz XWNUVMRJULYMRD-ZDUSSCGKSA-N 0 2 358.354 2.347 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c1 ZINC000541833987 562621001 /nfs/dbraw/zinc/62/10/01/562621001.db2.gz SJWPYJHKSCLKCB-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN C[C@](O)(C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)C(F)(F)F ZINC000545957795 562631742 /nfs/dbraw/zinc/63/17/42/562631742.db2.gz MWKWZUOCFCRENQ-AWEZNQCLSA-N 0 2 362.304 2.466 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740174633 602267055 /nfs/dbraw/zinc/26/70/55/602267055.db2.gz KFVHKOAFTMBQRQ-STQMWFEESA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740174633 602267057 /nfs/dbraw/zinc/26/70/57/602267057.db2.gz KFVHKOAFTMBQRQ-STQMWFEESA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1noc([C@@H](C)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)n1 ZINC000809813422 674511349 /nfs/dbraw/zinc/51/13/49/674511349.db2.gz GNADUAZOORZEIP-RXMQYKEDSA-N 0 2 364.742 2.118 20 5 FEBDLN Cc1nn(-c2ccccc2)cc1Nc1nccc(-c2nn[nH]n2)c1[N+](=O)[O-] ZINC000826332643 609311901 /nfs/dbraw/zinc/31/19/01/609311901.db2.gz AUNGIHVKDPCSHH-UHFFFAOYSA-N 0 2 363.341 2.408 20 5 FEBDLN Cc1noc([C@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])n1 ZINC000815008372 674894615 /nfs/dbraw/zinc/89/46/15/674894615.db2.gz DAMPGVJAKIOMJE-YFKPBYRVSA-N 0 2 364.742 2.118 20 5 FEBDLN C[C@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034888 674904442 /nfs/dbraw/zinc/90/44/42/674904442.db2.gz FUHIZHCXIJDDFH-VIFPVBQESA-N 0 2 365.814 2.150 20 5 FEBDLN COC(=O)c1cncc(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000580989416 671853078 /nfs/dbraw/zinc/85/30/78/671853078.db2.gz UDEFGXBSYQKJQZ-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000126088654 672020252 /nfs/dbraw/zinc/02/02/52/672020252.db2.gz MEZMMXZKFJCMPF-UHFFFAOYSA-N 0 2 362.342 2.304 20 5 FEBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000594793000 673144708 /nfs/dbraw/zinc/14/47/08/673144708.db2.gz FYBMORVCWPUZST-DTWKUNHWSA-N 0 2 353.322 2.389 20 5 FEBDLN Cc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc1C ZINC000731055317 673299581 /nfs/dbraw/zinc/29/95/81/673299581.db2.gz DZXMHHGQWIXANE-UHFFFAOYSA-N 0 2 358.357 2.377 20 5 FEBDLN O=[N+]([O-])c1cccnc1S(=O)(=O)NCC1(C(F)(F)F)CCCC1 ZINC000599501297 673685549 /nfs/dbraw/zinc/68/55/49/673685549.db2.gz KTCMIQAHPUGQEB-UHFFFAOYSA-N 0 2 353.322 2.391 20 5 FEBDLN Cc1cc(S(=O)(=O)NC2(C(F)(F)F)CCOCC2)c([N+](=O)[O-])s1 ZINC000601962820 673900040 /nfs/dbraw/zinc/90/00/40/673900040.db2.gz PJLDQNQOMIFSRI-UHFFFAOYSA-N 0 2 374.362 2.355 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000615565800 676220052 /nfs/dbraw/zinc/22/00/52/676220052.db2.gz BYIPOFAKPXRRSR-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000619466275 676378008 /nfs/dbraw/zinc/37/80/08/676378008.db2.gz GSKLDGPCOMZIJF-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000844660899 681072599 /nfs/dbraw/zinc/07/25/99/681072599.db2.gz PBVHQANUQPRFKR-CYBMUJFWSA-N 0 2 360.388 2.077 20 5 FEBDLN CCOC(=O)[C@H](NS(=O)(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000774905217 681248546 /nfs/dbraw/zinc/24/85/46/681248546.db2.gz LGHGRLXRWRGRBZ-CYBMUJFWSA-N 0 2 370.408 2.239 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000777650083 681517227 /nfs/dbraw/zinc/51/72/27/681517227.db2.gz QZVFHWJOARORNY-UHFFFAOYSA-N 0 2 352.372 2.011 20 5 FEBDLN O=C(N[C@@H]1CCCc2cn[nH]c21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584575 681583316 /nfs/dbraw/zinc/58/33/16/681583316.db2.gz CASWRADXMQAZQM-GFCCVEGCSA-N 0 2 352.297 2.483 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cn1 ZINC000782258647 682021956 /nfs/dbraw/zinc/02/19/56/682021956.db2.gz KRGVURDSVHYBID-UHFFFAOYSA-N 0 2 369.330 2.025 20 5 FEBDLN O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])NCCc1n[nH]c(=S)o1 ZINC000789923461 682638774 /nfs/dbraw/zinc/63/87/74/682638774.db2.gz JSIYMHDSHKQINZ-UHFFFAOYSA-N 0 2 374.831 2.371 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000861551425 683434194 /nfs/dbraw/zinc/43/41/94/683434194.db2.gz BOYBQZRPDVVDTC-QMMMGPOBSA-N 0 2 351.750 2.092 20 5 FEBDLN COc1cc(N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c([N+](=O)[O-])cc1F ZINC000866284191 684088265 /nfs/dbraw/zinc/08/82/65/684088265.db2.gz LZBLXPQNXPMKTI-CYBMUJFWSA-N 0 2 365.283 2.390 20 5 FEBDLN COCC[N@H+](CCC(=O)[O-])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000901662976 690675270 /nfs/dbraw/zinc/67/52/70/690675270.db2.gz HUQJXUIIKYBPGF-UHFFFAOYSA-N 0 2 361.192 2.280 20 5 FEBDLN COCC[N@@H+](CCC(=O)[O-])Cc1c(Br)cccc1[N+](=O)[O-] ZINC000901662976 690675272 /nfs/dbraw/zinc/67/52/72/690675272.db2.gz HUQJXUIIKYBPGF-UHFFFAOYSA-N 0 2 361.192 2.280 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000055569501 540660210 /nfs/dbraw/zinc/66/02/10/540660210.db2.gz ALYQQTLZELTQOE-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000055630694 540665645 /nfs/dbraw/zinc/66/56/45/540665645.db2.gz OKDCNLXIEZBOJL-CQSZACIVSA-N 0 2 366.399 2.080 20 5 FEBDLN O=C(OC[C@@H]1CCOC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387052 674125119 /nfs/dbraw/zinc/12/51/19/674125119.db2.gz RGUBMAUPEBRURK-SECBINFHSA-N 0 2 367.745 2.333 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)ccc1[N+](=O)[O-] ZINC000093930672 542946540 /nfs/dbraw/zinc/94/65/40/542946540.db2.gz QUOGXPUGCIKMKS-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN Cn1cc(Br)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1=O ZINC000552077518 674186107 /nfs/dbraw/zinc/18/61/07/674186107.db2.gz NXWBOWFOGJJPCE-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN Cn1cnc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000181163051 327718948 /nfs/dbraw/zinc/71/89/48/327718948.db2.gz AMCBILPYUCPKFY-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN COc1ccccc1N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184575602 327873663 /nfs/dbraw/zinc/87/36/63/327873663.db2.gz GTEAWAOFMCROSF-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1C ZINC000116710561 326030396 /nfs/dbraw/zinc/03/03/96/326030396.db2.gz RNXDSCIWDOHKED-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=[N+]([O-])c1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000117739730 326068962 /nfs/dbraw/zinc/06/89/62/326068962.db2.gz MFDBHTCHMKFADE-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000119251951 326141812 /nfs/dbraw/zinc/14/18/12/326141812.db2.gz OFJTZIWUKTVSJC-UHFFFAOYSA-N 0 2 359.357 2.398 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 ZINC000132351423 326591142 /nfs/dbraw/zinc/59/11/42/326591142.db2.gz UQABIWLISDOSHS-UHFFFAOYSA-N 0 2 372.378 2.076 20 5 FEBDLN O=C(NCc1cccnc1OCC(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000135246169 326638289 /nfs/dbraw/zinc/63/82/89/326638289.db2.gz FMBKSEJFHAJMKU-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)N1Cc2ccccc2C1 ZINC000157881276 326878236 /nfs/dbraw/zinc/87/82/36/326878236.db2.gz FHWAVMRZWNXPJK-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN CCCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)[nH]n1 ZINC000159957323 326948349 /nfs/dbraw/zinc/94/83/49/326948349.db2.gz PEIISYAEFVINPZ-UHFFFAOYSA-N 0 2 354.388 2.470 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160266534 326959591 /nfs/dbraw/zinc/95/95/91/326959591.db2.gz QVPIAIASTIKEJQ-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(Cc2cscn2)CC1 ZINC000171212316 327125139 /nfs/dbraw/zinc/12/51/39/327125139.db2.gz BFBGBDUDTFSOFU-UHFFFAOYSA-N 0 2 362.411 2.105 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000264419056 329020633 /nfs/dbraw/zinc/02/06/33/329020633.db2.gz LALHAPGYARZSAT-LLVKDONJSA-N 0 2 351.359 2.040 20 5 FEBDLN CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000269083343 329484047 /nfs/dbraw/zinc/48/40/47/329484047.db2.gz WWJUUMNBKZYPKK-UHFFFAOYSA-N 0 2 362.342 2.047 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000367197040 330228555 /nfs/dbraw/zinc/22/85/55/330228555.db2.gz VTCDXTDLLJCNNU-CQSZACIVSA-N 0 2 355.350 2.004 20 5 FEBDLN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000477614855 561149396 /nfs/dbraw/zinc/14/93/96/561149396.db2.gz IGVHJBPZXJHZOK-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN O=C(CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)N1CCc2ccccc21 ZINC000157884245 545795603 /nfs/dbraw/zinc/79/56/03/545795603.db2.gz ISDPHKNEBMICRV-UHFFFAOYSA-N 0 2 369.377 2.400 20 5 FEBDLN O=C(CCn1cc(Br)cn1)Nc1cc([N+](=O)[O-])ccc1O ZINC000164594412 546151207 /nfs/dbraw/zinc/15/12/07/546151207.db2.gz CZXCYUZNCZNTRO-UHFFFAOYSA-N 0 2 355.148 2.288 20 5 FEBDLN Cn1nc([N+](=O)[O-])cc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000481873695 561244380 /nfs/dbraw/zinc/24/43/80/561244380.db2.gz YNWYAHJZTVIRON-UHFFFAOYSA-N 0 2 364.774 2.174 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2nncn2c1 ZINC000181079720 547243751 /nfs/dbraw/zinc/24/37/51/547243751.db2.gz TYMIQVAGQIIAOE-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(=O)n(-c2ccccc2)n1C ZINC000184573694 547848548 /nfs/dbraw/zinc/84/85/48/547848548.db2.gz WUJLCSBYNQQINK-UHFFFAOYSA-N 0 2 368.349 2.351 20 5 FEBDLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000486760048 561355882 /nfs/dbraw/zinc/35/58/82/561355882.db2.gz PIWHFUMCTKZCJJ-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488137718 561384230 /nfs/dbraw/zinc/38/42/30/561384230.db2.gz KKLRBQADXMLYQX-UHFFFAOYSA-N 0 2 371.378 2.500 20 5 FEBDLN NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435963 549131959 /nfs/dbraw/zinc/13/19/59/549131959.db2.gz CUOKRCGSVSUBMZ-YOEHRIQHSA-N 0 2 358.442 2.142 20 5 FEBDLN CC(C)[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000262909857 549861479 /nfs/dbraw/zinc/86/14/79/549861479.db2.gz IPZMTYWXVWNFFB-SFHVURJKSA-N 0 2 372.381 2.353 20 5 FEBDLN COc1cc(CCNC(=O)[C@@H](F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000277401073 550665907 /nfs/dbraw/zinc/66/59/07/550665907.db2.gz KZXMNAWUYSXBIN-LLVKDONJSA-N 0 2 354.256 2.171 20 5 FEBDLN COc1cc(CCNC(=O)C(F)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000277401073 550665909 /nfs/dbraw/zinc/66/59/09/550665909.db2.gz KZXMNAWUYSXBIN-LLVKDONJSA-N 0 2 354.256 2.171 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)ccc1[N+](=O)[O-] ZINC000278306711 550771101 /nfs/dbraw/zinc/77/11/01/550771101.db2.gz DWFJJWDEODFASH-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN CCCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)o1 ZINC000278351436 550776154 /nfs/dbraw/zinc/77/61/54/550776154.db2.gz IOZJMGSKVVSDJZ-UHFFFAOYSA-N 0 2 356.360 2.130 20 5 FEBDLN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280793764 551033011 /nfs/dbraw/zinc/03/30/11/551033011.db2.gz OSTPBXLNFPTBEJ-MRXNPFEDSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCCN(Cc2cscn2)CC1 ZINC000280864778 551040234 /nfs/dbraw/zinc/04/02/34/551040234.db2.gz XKHAVPFFQFSSHW-UHFFFAOYSA-N 0 2 362.411 2.105 20 5 FEBDLN O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000281841131 551146786 /nfs/dbraw/zinc/14/67/86/551146786.db2.gz LJOKJLJZUDYEHC-UGSOOPFHSA-N 0 2 370.365 2.107 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)c([N+](=O)[O-])c1 ZINC000498020680 561514015 /nfs/dbraw/zinc/51/40/15/561514015.db2.gz QOTZEUZHKWUNTN-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1noc(C(C)(C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 ZINC000284548511 551575206 /nfs/dbraw/zinc/57/52/06/551575206.db2.gz FAEWNKXIDALWRU-UHFFFAOYSA-N 0 2 360.779 2.153 20 5 FEBDLN COC[C@@]1(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)OCCc2ccccc21 ZINC000291295311 552611775 /nfs/dbraw/zinc/61/17/75/552611775.db2.gz RUMYGMYCLONWGB-LJQANCHMSA-N 0 2 372.377 2.145 20 5 FEBDLN O=C(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Nc1ccc(F)c(F)c1F ZINC000503489925 561642640 /nfs/dbraw/zinc/64/26/40/561642640.db2.gz QRKRTOLMQFSRNO-UHFFFAOYSA-N 0 2 369.255 2.086 20 5 FEBDLN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330604315 554144606 /nfs/dbraw/zinc/14/46/06/554144606.db2.gz XZHBEWOKHJGSGB-LBPRGKRZSA-N 0 2 363.414 2.313 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000509652808 561809047 /nfs/dbraw/zinc/80/90/47/561809047.db2.gz QSFPBECBAFQKSC-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000509487330 561801703 /nfs/dbraw/zinc/80/17/03/561801703.db2.gz HPNANDOLFLQLSL-OLZOCXBDSA-N 0 2 363.414 2.457 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)c([N+](=O)[O-])c1 ZINC000509560704 561805273 /nfs/dbraw/zinc/80/52/73/561805273.db2.gz XNGCUYUDEXEKBO-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN Cc1cc(=NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)[nH]nc1C ZINC000609644769 554407651 /nfs/dbraw/zinc/40/76/51/554407651.db2.gz OQKPRWAQEOEBIE-UHFFFAOYSA-N 0 2 371.353 2.328 20 5 FEBDLN C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000513568072 561943291 /nfs/dbraw/zinc/94/32/91/561943291.db2.gz KBYAFBAUUXWPOT-UHFFFAOYSA-N 0 2 359.373 2.085 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(c2cncc(F)c2)CC1 ZINC000366372040 555825108 /nfs/dbraw/zinc/82/51/08/555825108.db2.gz PIJMRRQCZFHMOT-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN CC(=O)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC12CCCCC2 ZINC000367598081 556093823 /nfs/dbraw/zinc/09/38/23/556093823.db2.gz UXENLGDXHJVICK-UHFFFAOYSA-N 0 2 361.398 2.308 20 5 FEBDLN Cc1ccc(N2CCC(NC(=O)c3cc([O-])ccc3[N+](=O)[O-])CC2)[nH+]c1 ZINC000367625163 556099663 /nfs/dbraw/zinc/09/96/63/556099663.db2.gz XBUWHCDNZJTNRU-UHFFFAOYSA-N 0 2 356.382 2.403 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000368219804 556251518 /nfs/dbraw/zinc/25/15/18/556251518.db2.gz ARIPSUKVBXEQQR-CQSZACIVSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC[C@H]2CCCO2)CC1 ZINC000369454301 556604117 /nfs/dbraw/zinc/60/41/17/556604117.db2.gz ZFPCOUZYJCVNSE-CQSZACIVSA-N 0 2 350.371 2.101 20 5 FEBDLN CN1C(=O)C[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1c1ccccc1 ZINC000373715654 557744002 /nfs/dbraw/zinc/74/40/02/557744002.db2.gz QAWOGMWLZGMWQD-KSSFIOAISA-N 0 2 369.377 2.250 20 5 FEBDLN Cc1ccc(N2CC[C@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2=O)cc1 ZINC000373999200 557804737 /nfs/dbraw/zinc/80/47/37/557804737.db2.gz AKNYCSGAALIBJD-AWEZNQCLSA-N 0 2 355.350 2.144 20 5 FEBDLN O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375650783 558062510 /nfs/dbraw/zinc/06/25/10/558062510.db2.gz FBNQVHJYNJJNFQ-LBPRGKRZSA-N 0 2 370.365 2.186 20 5 FEBDLN CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376020239 558115028 /nfs/dbraw/zinc/11/50/28/558115028.db2.gz UMPICTPTSILMIH-LSDHHAIUSA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(NCc1noc(-c2cccc(F)c2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376050756 558119900 /nfs/dbraw/zinc/11/99/00/558119900.db2.gz PKIYYUALEWCAEL-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN O=C(NCc1ccn(Cc2ccccc2)n1)c1cc(O)ccc1[N+](=O)[O-] ZINC000390376219 558611173 /nfs/dbraw/zinc/61/11/73/558611173.db2.gz RPZQGSLJBWSINI-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000412611205 559046625 /nfs/dbraw/zinc/04/66/25/559046625.db2.gz HINUMXSCLJUYLY-MEDUHNTESA-N 0 2 360.370 2.024 20 5 FEBDLN COc1cc(C[NH2+]Cc2nc(C)c(C(=O)[O-])s2)c([N+](=O)[O-])cc1O ZINC000426702046 559740555 /nfs/dbraw/zinc/74/05/55/559740555.db2.gz CYNXBKSOOVQFJQ-UHFFFAOYSA-N 0 2 353.356 2.062 20 5 FEBDLN CCn1nc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(=O)c2ccccc21 ZINC000436623481 559946913 /nfs/dbraw/zinc/94/69/13/559946913.db2.gz ZSCFDMHZIQNQPN-UHFFFAOYSA-N 0 2 354.322 2.283 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436869977 559954835 /nfs/dbraw/zinc/95/48/35/559954835.db2.gz GAXDNLNOCQISAI-OAHLLOKOSA-N 0 2 355.350 2.226 20 5 FEBDLN CC(C)c1nc([C@H]2COCCN2C(=O)c2cc([N+](=O)[O-])ccc2O)no1 ZINC000436968602 559957855 /nfs/dbraw/zinc/95/78/55/559957855.db2.gz ULVFNQUKLYRTPF-GFCCVEGCSA-N 0 2 362.342 2.021 20 5 FEBDLN COc1ccc(-c2nnc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)[nH]2)cc1 ZINC000436990397 559958736 /nfs/dbraw/zinc/95/87/36/559958736.db2.gz RKMLUPXJJDUVAY-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN COc1ccc(-c2n[nH]c(CNC(=O)c3ccc([N+](=O)[O-])cc3O)n2)cc1 ZINC000436990397 559958737 /nfs/dbraw/zinc/95/87/37/559958737.db2.gz RKMLUPXJJDUVAY-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN O=C(NCc1noc(-c2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436992688 559958757 /nfs/dbraw/zinc/95/87/57/559958757.db2.gz WJYAIRSOVGDZFQ-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507229 560232397 /nfs/dbraw/zinc/23/23/97/560232397.db2.gz STKNDOSUKRCZKN-GOSISDBHSA-N 0 2 374.485 2.361 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452472704 560365740 /nfs/dbraw/zinc/36/57/40/560365740.db2.gz BXSMICNGMSFKDT-KDOFPFPSSA-N 0 2 360.341 2.241 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1n1cccn1 ZINC000456646499 560527134 /nfs/dbraw/zinc/52/71/34/560527134.db2.gz JMTZYTNYGDHUGW-WQVCFCJDSA-N 0 2 374.397 2.424 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1n1cccn1 ZINC000456646495 560527160 /nfs/dbraw/zinc/52/71/60/560527160.db2.gz JMTZYTNYGDHUGW-APHBMKBZSA-N 0 2 374.397 2.424 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])c1 ZINC000462106084 560797495 /nfs/dbraw/zinc/79/74/95/560797495.db2.gz VUUGJWNXDYRWHV-HSZRJFAPSA-N 0 2 370.408 2.142 20 5 FEBDLN Cc1nc([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000463468187 560816280 /nfs/dbraw/zinc/81/62/80/560816280.db2.gz FBKYCCGXYCZMPB-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)cc1[N+](=O)[O-] ZINC000534059986 562524553 /nfs/dbraw/zinc/52/45/53/562524553.db2.gz JMRYTJLYGQTWRL-UHFFFAOYSA-N 0 2 351.340 2.002 20 5 FEBDLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833222346 601021330 /nfs/dbraw/zinc/02/13/30/601021330.db2.gz WXUHAMRQACRFCU-JTQLQIEISA-N 0 2 373.818 2.079 20 5 FEBDLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833222346 601021333 /nfs/dbraw/zinc/02/13/33/601021333.db2.gz WXUHAMRQACRFCU-JTQLQIEISA-N 0 2 373.818 2.079 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000739585121 601969693 /nfs/dbraw/zinc/96/96/93/601969693.db2.gz BQLKBNNVUFXGBP-CYBMUJFWSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000739585121 601969697 /nfs/dbraw/zinc/96/96/97/601969697.db2.gz BQLKBNNVUFXGBP-CYBMUJFWSA-N 0 2 361.358 2.219 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000833954362 605816547 /nfs/dbraw/zinc/81/65/47/605816547.db2.gz HURMGNGQUCNJIS-HIFRSBDPSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1ncc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)cn1 ZINC000609411301 675921759 /nfs/dbraw/zinc/92/17/59/675921759.db2.gz AIRAJULBUXOTHV-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)cc1[N+](=O)[O-] ZINC000610058907 675949177 /nfs/dbraw/zinc/94/91/77/675949177.db2.gz ZESJCJUXFFVQIW-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c1 ZINC000583025258 672056539 /nfs/dbraw/zinc/05/65/39/672056539.db2.gz TZPDFUMFIOTCQO-UHFFFAOYSA-N 0 2 351.388 2.492 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(CC3CC3)c2)cc1[N+](=O)[O-] ZINC000187511127 672570732 /nfs/dbraw/zinc/57/07/32/672570732.db2.gz MBPPHPUGVBCJIC-UHFFFAOYSA-N 0 2 370.362 2.150 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(F)cc1F ZINC000732047296 673352040 /nfs/dbraw/zinc/35/20/40/673352040.db2.gz WPNBBBFJUVXAKP-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000742029546 673704506 /nfs/dbraw/zinc/70/45/06/673704506.db2.gz IJCRUKVIFUSJSE-UHFFFAOYSA-N 0 2 370.358 2.214 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)nc2)cc([N+](=O)[O-])c1 ZINC000743266840 673754246 /nfs/dbraw/zinc/75/42/46/673754246.db2.gz USYMOYOZDFWHAM-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000617201583 676274641 /nfs/dbraw/zinc/27/46/41/676274641.db2.gz HZTPMYXWTPTDGX-UHFFFAOYSA-N 0 2 367.383 2.436 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000830784021 677060320 /nfs/dbraw/zinc/06/03/20/677060320.db2.gz DBCNHCXJCQDWPI-CYBMUJFWSA-N 0 2 363.267 2.017 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000769670320 680991057 /nfs/dbraw/zinc/99/10/57/680991057.db2.gz CXTNIHSFBCMODP-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cn1 ZINC000782257927 682021934 /nfs/dbraw/zinc/02/19/34/682021934.db2.gz AXXJTBDLXKJBEB-UHFFFAOYSA-N 0 2 369.330 2.025 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000032585290 539943656 /nfs/dbraw/zinc/94/36/56/539943656.db2.gz DMADEVJMQRBBAJ-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1Cn1cncn1 ZINC000055686617 540670839 /nfs/dbraw/zinc/67/08/39/540670839.db2.gz YCUAAHUBSOPQQD-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000066942036 541397868 /nfs/dbraw/zinc/39/78/68/541397868.db2.gz GOXUBCFTBNVZSV-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN O=C(NCc1cccc(N2CCCC2=O)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000075942046 542218317 /nfs/dbraw/zinc/21/83/17/542218317.db2.gz ZEFNDPPBSXKBFP-UHFFFAOYSA-N 0 2 355.350 2.357 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc1C(=O)OC ZINC000040945723 208277491 /nfs/dbraw/zinc/27/74/91/208277491.db2.gz YIIPJGBLHKWINO-UHFFFAOYSA-N 0 2 371.396 2.201 20 5 FEBDLN O=C(NCc1cccnc1OCC(F)F)c1cc(O)ccc1[N+](=O)[O-] ZINC000552136697 674190333 /nfs/dbraw/zinc/19/03/33/674190333.db2.gz ISKRDLNWBBINDI-UHFFFAOYSA-N 0 2 353.281 2.269 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cs1 ZINC000802722552 674193005 /nfs/dbraw/zinc/19/30/05/674193005.db2.gz BRCLFNHMJAUSAV-UHFFFAOYSA-N 0 2 351.312 2.454 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000126584409 543944690 /nfs/dbraw/zinc/94/46/90/543944690.db2.gz JUHXYPAKXRIWGR-OCCSQVGLSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130412793 544150245 /nfs/dbraw/zinc/15/02/45/544150245.db2.gz LZXBWWZULYZSOD-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000131363463 544187371 /nfs/dbraw/zinc/18/73/71/544187371.db2.gz XQVLCXITZWACCP-HNNXBMFYSA-N 0 2 355.350 2.178 20 5 FEBDLN O=C(OCc1cn[nH]c1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000803524837 674248057 /nfs/dbraw/zinc/24/80/57/674248057.db2.gz CIDABMGOIRUYNA-UHFFFAOYSA-N 0 2 363.717 2.220 20 5 FEBDLN Cc1cc(C(=O)N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)c(C)o1 ZINC000181925466 327753012 /nfs/dbraw/zinc/75/30/12/327753012.db2.gz JPWPBAPGZHRVMX-UHFFFAOYSA-N 0 2 373.365 2.108 20 5 FEBDLN COc1ccccc1N1CC[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182098946 327761129 /nfs/dbraw/zinc/76/11/29/327761129.db2.gz WFWBEIVQABKWDS-GFCCVEGCSA-N 0 2 357.366 2.318 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184601805 327874828 /nfs/dbraw/zinc/87/48/28/327874828.db2.gz IKDNEYATAGINCK-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc([N+](=O)[O-])cc3O)cn2)n1 ZINC000184670120 327878206 /nfs/dbraw/zinc/87/82/06/327878206.db2.gz CBQUEYGMJGHTRS-UHFFFAOYSA-N 0 2 367.365 2.428 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186902234 327989565 /nfs/dbraw/zinc/98/95/65/327989565.db2.gz ORSCFMGHLYICHF-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1[N+](=O)[O-] ZINC000118301390 326087476 /nfs/dbraw/zinc/08/74/76/326087476.db2.gz FXTFQSUTYBRZEU-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000134400337 326625072 /nfs/dbraw/zinc/62/50/72/326625072.db2.gz QSTPNHXEGMWYRJ-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000160621818 326971841 /nfs/dbraw/zinc/97/18/41/326971841.db2.gz QMNYCNRVDQNJLS-UHFFFAOYSA-N 0 2 362.342 2.304 20 5 FEBDLN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000175149108 327377042 /nfs/dbraw/zinc/37/70/42/327377042.db2.gz QSCYPAPCPYCKAC-HNNXBMFYSA-N 0 2 369.377 2.394 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000272399796 329777753 /nfs/dbraw/zinc/77/77/53/329777753.db2.gz MQXKFMQWVOKZSR-MAUKXSAKSA-N 0 2 372.377 2.265 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(n2nnc3c2CCCC3)CC1 ZINC000367159332 330224115 /nfs/dbraw/zinc/22/41/15/330224115.db2.gz WPYPRQVRUWUZDM-UHFFFAOYSA-N 0 2 371.397 2.248 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(Cn3cncn3)cc2)c([N+](=O)[O-])c1 ZINC000158600917 545875588 /nfs/dbraw/zinc/87/55/88/545875588.db2.gz PAZDWMVDRGDXQE-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000179490401 546964967 /nfs/dbraw/zinc/96/49/67/546964967.db2.gz ZDWOJROQGJXXAV-HNNXBMFYSA-N 0 2 355.350 2.178 20 5 FEBDLN Cc1nc(C)c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nc1C ZINC000186420267 548132799 /nfs/dbraw/zinc/13/27/99/548132799.db2.gz SSBJXAZYDMDFTF-UHFFFAOYSA-N 0 2 353.342 2.347 20 5 FEBDLN O=C(NCCNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1Cl ZINC000194746325 548526523 /nfs/dbraw/zinc/52/65/23/548526523.db2.gz JGAGQGHPBHZNIH-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)C2=O ZINC000489920411 561422404 /nfs/dbraw/zinc/42/24/04/561422404.db2.gz BUOVAXVIJZRTAO-SNVBAGLBSA-N 0 2 369.333 2.232 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000269189137 550165072 /nfs/dbraw/zinc/16/50/72/550165072.db2.gz WGVMUJYVMSUPGE-DOTOQJQBSA-N 0 2 372.377 2.265 20 5 FEBDLN CC(=O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC12CCCCC2 ZINC000272384108 550442928 /nfs/dbraw/zinc/44/29/28/550442928.db2.gz JPKKXOPOLGORHB-UHFFFAOYSA-N 0 2 361.398 2.308 20 5 FEBDLN COCC[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000272385101 550443257 /nfs/dbraw/zinc/44/32/57/550443257.db2.gz HJFAPHORILZZPG-NSHDSACASA-N 0 2 358.347 2.383 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(c2nnc3n2CCCC3)CC1 ZINC000274716232 550550645 /nfs/dbraw/zinc/55/06/45/550550645.db2.gz CFFYKXFGDBPQON-UHFFFAOYSA-N 0 2 371.397 2.248 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000274852927 550559703 /nfs/dbraw/zinc/55/97/03/550559703.db2.gz UNMBWXCYHRYWDZ-HNNXBMFYSA-N 0 2 364.398 2.491 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000278895303 550833532 /nfs/dbraw/zinc/83/35/32/550833532.db2.gz QDZDWHITPTWABE-CYBMUJFWSA-N 0 2 366.399 2.289 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cccc(O)c1[N+](=O)[O-] ZINC000280683488 551021020 /nfs/dbraw/zinc/02/10/20/551021020.db2.gz AYXORHGWDQLKOI-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)c([N+](=O)[O-])c1 ZINC000281174109 551070854 /nfs/dbraw/zinc/07/08/54/551070854.db2.gz QDFQVGLCDUONJE-UHFFFAOYSA-N 0 2 354.388 2.261 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000302898394 553741252 /nfs/dbraw/zinc/74/12/52/553741252.db2.gz NVDAGTSUQSQSLS-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN COC(=O)c1cc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000507940814 561746808 /nfs/dbraw/zinc/74/68/08/561746808.db2.gz ZVNLJCGJBKKPSB-UHFFFAOYSA-N 0 2 374.305 2.126 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508067599 561750160 /nfs/dbraw/zinc/75/01/60/561750160.db2.gz KFDWBLBJADENGM-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2c(cc1C)OCO2 ZINC000510103991 561825103 /nfs/dbraw/zinc/82/51/03/561825103.db2.gz JPUMUJTTXKNMQU-UHFFFAOYSA-N 0 2 366.351 2.441 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(C[C@H]2C(=O)N2CCCC2)CC1 ZINC000360673848 554884536 /nfs/dbraw/zinc/88/45/36/554884536.db2.gz SHIYQFWJPKBKBV-HNNXBMFYSA-N 0 2 373.409 2.165 20 5 FEBDLN CCOC(=O)c1c[nH]n(C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1=N ZINC000364304667 555288227 /nfs/dbraw/zinc/28/82/27/555288227.db2.gz BKXIWCGJFDTLSW-UHFFFAOYSA-N 0 2 359.386 2.222 20 5 FEBDLN Cn1cc(-c2ncccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cn1 ZINC000367012291 555996590 /nfs/dbraw/zinc/99/65/90/555996590.db2.gz YMSHFZOQSXWYAZ-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000367292679 556009899 /nfs/dbraw/zinc/00/98/99/556009899.db2.gz UKCBTIRXHFLVHH-LJQANCHMSA-N 0 2 356.378 2.467 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(n2nnc3c2CCCC3)CC1 ZINC000368921687 556448715 /nfs/dbraw/zinc/44/87/15/556448715.db2.gz RMYZSJUVSJSVEI-UHFFFAOYSA-N 0 2 371.397 2.248 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC[C@@H]2CCCO2)CC1 ZINC000369454300 556603939 /nfs/dbraw/zinc/60/39/39/556603939.db2.gz ZFPCOUZYJCVNSE-AWEZNQCLSA-N 0 2 350.371 2.101 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000516618404 562050796 /nfs/dbraw/zinc/05/07/96/562050796.db2.gz CYIYFSFVDJKELS-UHFFFAOYSA-N 0 2 356.385 2.133 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(-c2cnn(C)c2)n1 ZINC000370035482 556762768 /nfs/dbraw/zinc/76/27/68/556762768.db2.gz HDGMFIOIXATTQA-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1ccc(N2CC[C@@H](NC(=O)c3cccc(O)c3[N+](=O)[O-])C2=O)cc1 ZINC000373999202 557804806 /nfs/dbraw/zinc/80/48/06/557804806.db2.gz AKNYCSGAALIBJD-CQSZACIVSA-N 0 2 355.350 2.144 20 5 FEBDLN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000375899397 558096061 /nfs/dbraw/zinc/09/60/61/558096061.db2.gz BSPVTYHZCRRZRQ-OLZOCXBDSA-N 0 2 354.366 2.494 20 5 FEBDLN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376020199 558114989 /nfs/dbraw/zinc/11/49/89/558114989.db2.gz UMPICTPTSILMIH-HUUCEWRRSA-N 0 2 361.398 2.306 20 5 FEBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cnc2c(c1)COCC2 ZINC000378469568 558564730 /nfs/dbraw/zinc/56/47/30/558564730.db2.gz CQSNSUVOLVGQDQ-UHFFFAOYSA-N 0 2 353.331 2.002 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c(C)cc1[N+](=O)[O-] ZINC000414454542 559164927 /nfs/dbraw/zinc/16/49/27/559164927.db2.gz OAIKHWXYOBNPKM-LLVKDONJSA-N 0 2 368.371 2.247 20 5 FEBDLN COC(=O)[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)c(C)c1 ZINC000436805509 559952551 /nfs/dbraw/zinc/95/25/51/559952551.db2.gz FCSWWEFVVOZEHP-HNNXBMFYSA-N 0 2 362.313 2.392 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1O ZINC000436818197 559953015 /nfs/dbraw/zinc/95/30/15/559953015.db2.gz FARWTNKFXYIBPG-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436864040 559954766 /nfs/dbraw/zinc/95/47/66/559954766.db2.gz WTCBUZMWNZWSHU-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN O=C(NCCNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(Cl)cc1 ZINC000436860851 559954788 /nfs/dbraw/zinc/95/47/88/559954788.db2.gz QIQYEBHDNHYMDV-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436867613 559954950 /nfs/dbraw/zinc/95/49/50/559954950.db2.gz DLRQYOILDKFQSM-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN NC(=O)c1cc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])cc3O)n2)c[nH]1 ZINC000436875143 559955133 /nfs/dbraw/zinc/95/51/33/559955133.db2.gz WSQDRIIVQZWIMT-UHFFFAOYSA-N 0 2 373.350 2.103 20 5 FEBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1OC ZINC000436951384 559957198 /nfs/dbraw/zinc/95/71/98/559957198.db2.gz RNFAWFGQQUWPBS-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436961454 559957624 /nfs/dbraw/zinc/95/76/24/559957624.db2.gz UMYRKJAZSUOTEJ-CQSZACIVSA-N 0 2 362.313 2.474 20 5 FEBDLN O=C(NC1CC1)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436963361 559957674 /nfs/dbraw/zinc/95/76/74/559957674.db2.gz KLJJQFYNYSUBFE-UHFFFAOYSA-N 0 2 355.350 2.123 20 5 FEBDLN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc([N+](=O)[O-])ccc1O ZINC000436965278 559957676 /nfs/dbraw/zinc/95/76/76/559957676.db2.gz IVANMGDEOFVBRA-UHFFFAOYSA-N 0 2 361.398 2.211 20 5 FEBDLN Cc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c(N2CCOCC2)c1 ZINC000436971217 559957822 /nfs/dbraw/zinc/95/78/22/559957822.db2.gz HUEFHSWQLMYMFS-UHFFFAOYSA-N 0 2 371.393 2.375 20 5 FEBDLN CCOc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)n1 ZINC000436969476 559957977 /nfs/dbraw/zinc/95/79/77/559957977.db2.gz YYGMUNCHZKXRAS-UHFFFAOYSA-N 0 2 372.381 2.057 20 5 FEBDLN COc1cccc(N2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2)c1 ZINC000436990034 559958745 /nfs/dbraw/zinc/95/87/45/559958745.db2.gz QGXNPFUQBSEPOS-LBPRGKRZSA-N 0 2 357.366 2.318 20 5 FEBDLN O=[N+]([O-])c1ccc([C@H]2SCCN2S(=O)(=O)NCC(F)(F)F)cc1 ZINC000443041797 560067299 /nfs/dbraw/zinc/06/72/99/560067299.db2.gz BIFLNNDDDPYMSV-SNVBAGLBSA-N 0 2 371.362 2.039 20 5 FEBDLN CCn1cc(S(=O)(=O)[N-]c2ccc(-c3[nH]cc[nH+]3)cc2)c([N+](=O)[O-])n1 ZINC000443416970 560083635 /nfs/dbraw/zinc/08/36/35/560083635.db2.gz LNPKYRJAOOMKMQ-UHFFFAOYSA-N 0 2 362.371 2.002 20 5 FEBDLN CC[C@H](C)[C@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(F)(F)F ZINC000443929624 560096442 /nfs/dbraw/zinc/09/64/42/560096442.db2.gz QFYALKCJIXXHNM-CBAPKCEASA-N 0 2 358.342 2.067 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452472706 560365779 /nfs/dbraw/zinc/36/57/79/560365779.db2.gz BXSMICNGMSFKDT-RDTXWAMCSA-N 0 2 360.341 2.241 20 5 FEBDLN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000456634897 560526769 /nfs/dbraw/zinc/52/67/69/560526769.db2.gz DIDCHNQONFPGJK-SNVBAGLBSA-N 0 2 361.320 2.257 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1n1cccn1 ZINC000456676388 560528450 /nfs/dbraw/zinc/52/84/50/560528450.db2.gz VFQHQEBWTQXBGC-IMJJTQAJSA-N 0 2 374.397 2.424 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1c1ccccc1 ZINC000456927921 560538712 /nfs/dbraw/zinc/53/87/12/560538712.db2.gz CYEMOSBDOBBWJT-HZPDHXFCSA-N 0 2 370.361 2.329 20 5 FEBDLN O=C(NC[C@@H](c1ccccc1)N1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469521041 560957073 /nfs/dbraw/zinc/95/70/73/560957073.db2.gz UTFPTCBNMFUQNZ-SFHVURJKSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469565459 560958457 /nfs/dbraw/zinc/95/84/57/560958457.db2.gz PKRNDJHEDFJSMF-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C)cnc2OC)c([N+](=O)[O-])c1 ZINC000476395644 561118333 /nfs/dbraw/zinc/11/83/33/561118333.db2.gz GFZVAZYDSDLMCD-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1NS(C)(=O)=O ZINC000534804237 562542763 /nfs/dbraw/zinc/54/27/63/562542763.db2.gz UOBADEMTSZWALX-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN CN(C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739661224 602538787 /nfs/dbraw/zinc/53/87/87/602538787.db2.gz OFWWRTKXQRTKGC-SNVBAGLBSA-N 0 2 370.793 2.118 20 5 FEBDLN CN(C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739661224 602538788 /nfs/dbraw/zinc/53/87/88/602538788.db2.gz OFWWRTKXQRTKGC-SNVBAGLBSA-N 0 2 370.793 2.118 20 5 FEBDLN O=C([O-])N1CCC[C@H](COC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740717629 602744579 /nfs/dbraw/zinc/74/45/79/602744579.db2.gz PFVHEGQYHOLGBM-LBPRGKRZSA-N 0 2 374.353 2.327 20 5 FEBDLN CCN(CC1CC[NH+](CC(=O)Nc2ccccc2[N+](=O)[O-])CC1)C(=O)[O-] ZINC000827093730 603539882 /nfs/dbraw/zinc/53/98/82/603539882.db2.gz UALLXACZVPZXBO-UHFFFAOYSA-N 0 2 364.402 2.245 20 5 FEBDLN O=C([O-])N1CC[C@@H]([N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)C1 ZINC000834083724 605773407 /nfs/dbraw/zinc/77/34/07/605773407.db2.gz KGTYRZSOQWVYHX-CQSZACIVSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@@H]([N@@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C2CC2)C1 ZINC000834083724 605773409 /nfs/dbraw/zinc/77/34/09/605773409.db2.gz KGTYRZSOQWVYHX-CQSZACIVSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@@H]([N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)C1 ZINC000834081772 605781973 /nfs/dbraw/zinc/78/19/73/605781973.db2.gz AENWRVPSKBBIJB-CQSZACIVSA-N 0 2 373.369 2.362 20 5 FEBDLN O=C([O-])N1CC[C@@H]([N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C2CC2)C1 ZINC000834081772 605781977 /nfs/dbraw/zinc/78/19/77/605781977.db2.gz AENWRVPSKBBIJB-CQSZACIVSA-N 0 2 373.369 2.362 20 5 FEBDLN CCC[C@H](CCCS(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000565697077 675143754 /nfs/dbraw/zinc/14/37/54/675143754.db2.gz USQKYUDHIVPTQF-LLVKDONJSA-N 0 2 358.416 2.480 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000609494574 675923488 /nfs/dbraw/zinc/92/34/88/675923488.db2.gz BPKHGVMHHDAVRR-HSZRJFAPSA-N 0 2 370.408 2.142 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000611165259 676021997 /nfs/dbraw/zinc/02/19/97/676021997.db2.gz FYQAAHCEEZQTEV-ZDUSSCGKSA-N 0 2 365.411 2.331 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1nnn(C2CC2)c1C(F)(F)F ZINC000611294800 676030431 /nfs/dbraw/zinc/03/04/31/676030431.db2.gz QTIGFAISCGVRSU-UHFFFAOYSA-N 0 2 357.248 2.498 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(n1)OCCO2 ZINC000594726739 673124315 /nfs/dbraw/zinc/12/43/15/673124315.db2.gz INRVTTNJVFRXRW-UHFFFAOYSA-N 0 2 365.367 2.124 20 5 FEBDLN COc1cc(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596226939 673369733 /nfs/dbraw/zinc/36/97/33/673369733.db2.gz SSKLKZVKGBPCDN-QMMMGPOBSA-N 0 2 353.766 2.465 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cn1 ZINC000536701105 673377205 /nfs/dbraw/zinc/37/72/05/673377205.db2.gz PUOFPYXHXMNDDS-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])cn1 ZINC000543867484 673675324 /nfs/dbraw/zinc/67/53/24/673675324.db2.gz UMTWJWFZXGPOQD-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000753820764 680317736 /nfs/dbraw/zinc/31/77/36/680317736.db2.gz UIBRZZPRBBUGAX-SNVBAGLBSA-N 0 2 351.359 2.040 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nc1 ZINC000758426107 680578864 /nfs/dbraw/zinc/57/88/64/680578864.db2.gz ROWPSJCNIHIASR-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN CC(C)(C)OC(=O)N1CC(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1 ZINC000760197799 680679523 /nfs/dbraw/zinc/67/95/23/680679523.db2.gz ISNMBDJJHGBWSM-UHFFFAOYSA-N 0 2 351.359 2.496 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000782260421 682021592 /nfs/dbraw/zinc/02/15/92/682021592.db2.gz CCLSRQBYJXEKPO-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN COC(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000007052331 539446108 /nfs/dbraw/zinc/44/61/08/539446108.db2.gz DUPYOOHIJYPXIU-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000016101108 539627666 /nfs/dbraw/zinc/62/76/66/539627666.db2.gz HEFCINCGQKOZJP-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000018121707 539646715 /nfs/dbraw/zinc/64/67/15/539646715.db2.gz CJDULEPZZCWAGK-UHFFFAOYSA-N 0 2 371.393 2.137 20 5 FEBDLN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1cccs1 ZINC000025086740 539748248 /nfs/dbraw/zinc/74/82/48/539748248.db2.gz VVYQYQGXIJZJIQ-JTQLQIEISA-N 0 2 350.352 2.396 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000042219527 540055501 /nfs/dbraw/zinc/05/55/01/540055501.db2.gz FLYXWMCPNJEZFI-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000042665508 540073332 /nfs/dbraw/zinc/07/33/32/540073332.db2.gz GVLAQVYRVXZPNJ-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c([N+](=O)[O-])c1 ZINC000063850282 541188531 /nfs/dbraw/zinc/18/85/31/541188531.db2.gz FAWNQIACCMXRGQ-UHFFFAOYSA-N 0 2 366.399 2.492 20 5 FEBDLN CC(C)(C)n1cnc(=NC(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)[nH]1 ZINC000541316888 541184908 /nfs/dbraw/zinc/18/49/08/541184908.db2.gz MIZHNCAXUUHZLS-UHFFFAOYSA-N 0 2 355.358 2.379 20 5 FEBDLN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@@H]1C[C@@H]1[N+](=O)[O-] ZINC000076396397 542272664 /nfs/dbraw/zinc/27/26/64/542272664.db2.gz ZMTQGDBOCRILHG-OCCSQVGLSA-N 0 2 358.423 2.305 20 5 FEBDLN COCc1nc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cs1 ZINC000103201152 543097277 /nfs/dbraw/zinc/09/72/77/543097277.db2.gz XDJQWHDGWVSVTD-UHFFFAOYSA-N 0 2 360.355 2.235 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ncccc2Cl)CC1 ZINC000179483471 327645744 /nfs/dbraw/zinc/64/57/44/327645744.db2.gz KRPXPIBDLKKYDZ-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN C[C@@H](c1nccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000187522597 328031467 /nfs/dbraw/zinc/03/14/67/328031467.db2.gz UOGUWKIXYVEJDP-NSHDSACASA-N 0 2 362.411 2.276 20 5 FEBDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1c(C)ccc(C)c1[N+](=O)[O-] ZINC000189273801 328138489 /nfs/dbraw/zinc/13/84/89/328138489.db2.gz ROPAOHMULJAZKJ-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C(Nc1cc(Br)c[nH]c1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067937428 324889628 /nfs/dbraw/zinc/88/96/28/324889628.db2.gz MRFICJMNOZIPPG-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000089531817 325321012 /nfs/dbraw/zinc/32/10/12/325321012.db2.gz LIGBPISQCSMMFJ-OZVIIMIRSA-N 0 2 351.403 2.373 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1O)N1CCCc2ccccc21 ZINC000157661477 326871609 /nfs/dbraw/zinc/87/16/09/326871609.db2.gz CUBVNWNVSVWFFU-UHFFFAOYSA-N 0 2 355.350 2.010 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3ccccn3n2)c(Cl)c1 ZINC000163322379 327048724 /nfs/dbraw/zinc/04/87/24/327048724.db2.gz HZOZCRSKHGGMQT-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000171343594 327133478 /nfs/dbraw/zinc/13/34/78/327133478.db2.gz RUOGNOBFHXEXDR-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@@H](C(=O)[O-])C1 ZINC000262988806 328906226 /nfs/dbraw/zinc/90/62/26/328906226.db2.gz LGIKWHLCIBROIC-XHDPSFHLSA-N 0 2 358.354 2.106 20 5 FEBDLN C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263119563 328917287 /nfs/dbraw/zinc/91/72/87/328917287.db2.gz FCBFLXIQTIGCSH-DGCLKSJQSA-N 0 2 358.354 2.106 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)c([N+](=O)[O-])c1 ZINC000267686979 329350095 /nfs/dbraw/zinc/35/00/95/329350095.db2.gz QULLAAFWDZHSPT-UHFFFAOYSA-N 0 2 358.401 2.379 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000271579936 329705025 /nfs/dbraw/zinc/70/50/25/329705025.db2.gz RWTVJRCSIQRDOF-CYBMUJFWSA-N 0 2 370.365 2.186 20 5 FEBDLN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271646777 329711248 /nfs/dbraw/zinc/71/12/48/329711248.db2.gz ZARPSKOAWKRATH-LLVKDONJSA-N 0 2 353.400 2.187 20 5 FEBDLN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000157660003 545766462 /nfs/dbraw/zinc/76/64/62/545766462.db2.gz LUTPGDSPPBQEMD-INIZCTEOSA-N 0 2 369.377 2.394 20 5 FEBDLN CCOC(=O)c1sc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1C ZINC000478387068 561165606 /nfs/dbraw/zinc/16/56/06/561165606.db2.gz RLGPKGQHWPWGEO-UHFFFAOYSA-N 0 2 351.340 2.494 20 5 FEBDLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc([N+](=O)[O-])cnc2C)n1 ZINC000171024697 546186602 /nfs/dbraw/zinc/18/66/02/546186602.db2.gz DDZBOCDBZNSGBC-UHFFFAOYSA-N 0 2 354.326 2.344 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)c1[N+](=O)[O-] ZINC000480196086 561204699 /nfs/dbraw/zinc/20/46/99/561204699.db2.gz WTQAZINJLJQSGF-UHFFFAOYSA-N 0 2 361.379 2.256 20 5 FEBDLN COc1ccc(N2CC(=O)C(C(=O)NCc3cccc([N+](=O)[O-])c3)=N2)cc1 ZINC000180985668 547225136 /nfs/dbraw/zinc/22/51/36/547225136.db2.gz GPDIWMZMNZQJHT-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 ZINC000181361131 547300195 /nfs/dbraw/zinc/30/01/95/547300195.db2.gz SPKGRWQUHYAJFK-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000183254122 547627796 /nfs/dbraw/zinc/62/77/96/547627796.db2.gz NIYZMQXIKVFKAP-UHFFFAOYSA-N 0 2 357.301 2.401 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000183895054 547735154 /nfs/dbraw/zinc/73/51/54/547735154.db2.gz KHOXZDDRXKCOMT-UHFFFAOYSA-N 0 2 352.306 2.099 20 5 FEBDLN CC(C)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000183901496 547736527 /nfs/dbraw/zinc/73/65/27/547736527.db2.gz LVGRJNUBFORJCA-OZVIIMIRSA-N 0 2 351.403 2.373 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000194745889 548526079 /nfs/dbraw/zinc/52/60/79/548526079.db2.gz LFQAFCWEOICEDD-UHFFFAOYSA-N 0 2 363.355 2.279 20 5 FEBDLN COC(=O)CCc1csc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000489070718 561402664 /nfs/dbraw/zinc/40/26/64/561402664.db2.gz INSIIEPPLUYQLJ-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273213318 550489835 /nfs/dbraw/zinc/48/98/35/550489835.db2.gz NWCKVWSGVRFPMN-BXKDBHETSA-N 0 2 353.400 2.187 20 5 FEBDLN O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273336525 550494699 /nfs/dbraw/zinc/49/46/99/550494699.db2.gz KAHDOCUBXOIPTF-UHFFFAOYSA-N 0 2 362.367 2.065 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000274920665 550565160 /nfs/dbraw/zinc/56/51/60/550565160.db2.gz JFLLVMCHJMGLCW-NVXWUHKLSA-N 0 2 372.377 2.265 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H]2CCCCO2)c(C)c([N+](=O)[O-])c1 ZINC000276736495 550590367 /nfs/dbraw/zinc/59/03/67/550590367.db2.gz AESYCEJKHOOTGS-GFCCVEGCSA-N 0 2 372.399 2.001 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)(C)C)o1 ZINC000278292719 550769533 /nfs/dbraw/zinc/76/95/33/550769533.db2.gz CTRJPMWLBFGMSV-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000278353238 550776073 /nfs/dbraw/zinc/77/60/73/550776073.db2.gz GQOSDYVBQKHMRD-LLVKDONJSA-N 0 2 369.374 2.169 20 5 FEBDLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280106594 550961541 /nfs/dbraw/zinc/96/15/41/550961541.db2.gz OPRZKOZUZAOTOP-LLVKDONJSA-N 0 2 366.399 2.023 20 5 FEBDLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000280871206 551041118 /nfs/dbraw/zinc/04/11/18/551041118.db2.gz XWXYPZBZSDMKTC-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN C[C@H](c1cccnc1)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280871206 551041119 /nfs/dbraw/zinc/04/11/19/551041119.db2.gz XWXYPZBZSDMKTC-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN CC(=O)Nc1cccc(OCCNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000496412798 561493887 /nfs/dbraw/zinc/49/38/87/561493887.db2.gz RRRGPEWKDVRBNL-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(CO)(c2ccccc2)CC1 ZINC000293742620 552851985 /nfs/dbraw/zinc/85/19/85/552851985.db2.gz BESOSEAOLIGTCI-UHFFFAOYSA-N 0 2 356.378 2.467 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(CO)(c2ccccc2)CC1 ZINC000293874102 552864117 /nfs/dbraw/zinc/86/41/17/552864117.db2.gz KHFNXTIMCTYGDO-UHFFFAOYSA-N 0 2 356.378 2.467 20 5 FEBDLN Cc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)nc(C(C)C)[nH+]1 ZINC000600363710 553257097 /nfs/dbraw/zinc/25/70/97/553257097.db2.gz ANDRZKJDSASDCU-UHFFFAOYSA-N 0 2 359.386 2.364 20 5 FEBDLN COc1ccc(OC)c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000327792181 553791611 /nfs/dbraw/zinc/79/16/11/553791611.db2.gz CXQNWJKWCYICQC-UHFFFAOYSA-N 0 2 370.358 2.230 20 5 FEBDLN CCn1cc(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)c([N+](=O)[O-])n1 ZINC000330865022 554180979 /nfs/dbraw/zinc/18/09/79/554180979.db2.gz YSANQBJCMFYNIO-SNVBAGLBSA-N 0 2 370.353 2.211 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000367705806 556119514 /nfs/dbraw/zinc/11/95/14/556119514.db2.gz HRZKWGYGEVNUIY-LBPRGKRZSA-N 0 2 362.363 2.200 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCCO)cc2)cc1C ZINC000518916780 562121032 /nfs/dbraw/zinc/12/10/32/562121032.db2.gz VFZSRFNDHSXEEE-UHFFFAOYSA-N 0 2 366.395 2.384 20 5 FEBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000373735429 557747777 /nfs/dbraw/zinc/74/77/77/557747777.db2.gz HEIPOGDLLHALBK-QFSBIZTOSA-N 0 2 350.371 2.099 20 5 FEBDLN CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@]2(CCCOC2)O1 ZINC000373826256 557767452 /nfs/dbraw/zinc/76/74/52/557767452.db2.gz XBUILRCBLKBFHK-KRWDZBQOSA-N 0 2 350.371 2.101 20 5 FEBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000374044692 557813472 /nfs/dbraw/zinc/81/34/72/557813472.db2.gz JJNKBVCLSDTMNH-AWEZNQCLSA-N 0 2 373.340 2.317 20 5 FEBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000412322837 559027616 /nfs/dbraw/zinc/02/76/16/559027616.db2.gz GGWGXHXHQSLGAQ-KGLIPLIRSA-N 0 2 373.413 2.393 20 5 FEBDLN CCc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 ZINC000416954509 559340128 /nfs/dbraw/zinc/34/01/28/559340128.db2.gz LLTPBIRSSBGVIC-UHFFFAOYSA-N 0 2 369.355 2.041 20 5 FEBDLN COCCOCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436641139 559947663 /nfs/dbraw/zinc/94/76/63/559947663.db2.gz TYFZGBHECSKXPU-UHFFFAOYSA-N 0 2 360.366 2.393 20 5 FEBDLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1O ZINC000436820639 559953027 /nfs/dbraw/zinc/95/30/27/559953027.db2.gz IABJBCQRZAEUNP-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436951018 559957397 /nfs/dbraw/zinc/95/73/97/559957397.db2.gz OYMSCURJFMJIMJ-UHFFFAOYSA-N 0 2 366.333 2.158 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436960818 559957488 /nfs/dbraw/zinc/95/74/88/559957488.db2.gz ROHAARNOKMMZAJ-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000436964780 559957749 /nfs/dbraw/zinc/95/77/49/559957749.db2.gz QUAIPPZZXWRCRE-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)c([N+](=O)[O-])n1 ZINC000446785968 560151702 /nfs/dbraw/zinc/15/17/02/560151702.db2.gz SDLAYOISAHNXOH-UHFFFAOYSA-N 0 2 370.391 2.043 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452472519 560365735 /nfs/dbraw/zinc/36/57/35/560365735.db2.gz DZQJNNQEVZRATR-QAPCUYQASA-N 0 2 360.341 2.241 20 5 FEBDLN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1O ZINC000458038102 560600349 /nfs/dbraw/zinc/60/03/49/560600349.db2.gz CJOCDTBOXCPOPR-OCCSQVGLSA-N 0 2 364.379 2.365 20 5 FEBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000466338927 560884523 /nfs/dbraw/zinc/88/45/23/560884523.db2.gz YCYHPKMCCCHADX-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000468863043 560940624 /nfs/dbraw/zinc/94/06/24/560940624.db2.gz GNZPNBKVATXIGP-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN O=[N+]([O-])c1cc(F)cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000475786216 561105201 /nfs/dbraw/zinc/10/52/01/561105201.db2.gz CCWHKDJVIVMNLD-UHFFFAOYSA-N 0 2 370.362 2.083 20 5 FEBDLN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000536894918 562582119 /nfs/dbraw/zinc/58/21/19/562582119.db2.gz YLPJSONCDOWFMO-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000557044886 674433757 /nfs/dbraw/zinc/43/37/57/674433757.db2.gz KJZOXSOXMJEFJE-KRWDZBQOSA-N 0 2 350.371 2.352 20 5 FEBDLN Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047862 601974369 /nfs/dbraw/zinc/97/43/69/601974369.db2.gz WVTLLJLNILBOIC-STQMWFEESA-N 0 2 364.402 2.304 20 5 FEBDLN Cc1c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047862 601974371 /nfs/dbraw/zinc/97/43/71/601974371.db2.gz WVTLLJLNILBOIC-STQMWFEESA-N 0 2 364.402 2.304 20 5 FEBDLN Cc1c(NC(=O)[C@H](C)[NH+]2CCC(N(C)C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000738201395 602532218 /nfs/dbraw/zinc/53/22/18/602532218.db2.gz CRNYJOMCVQKIKM-LBPRGKRZSA-N 0 2 364.402 2.304 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000830138083 603555322 /nfs/dbraw/zinc/55/53/22/603555322.db2.gz KJJYQGKMFSDAAK-SWLSCSKDSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000830138083 603555324 /nfs/dbraw/zinc/55/53/24/603555324.db2.gz KJJYQGKMFSDAAK-SWLSCSKDSA-N 0 2 364.402 2.352 20 5 FEBDLN C[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1[NH+]1CCOCC1 ZINC000828488405 604270941 /nfs/dbraw/zinc/27/09/41/604270941.db2.gz UXIUGPSWWPLGFV-ZUZCIYMTSA-N 0 2 369.805 2.103 20 5 FEBDLN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221897 675195370 /nfs/dbraw/zinc/19/53/70/675195370.db2.gz QXMRIBGXZGZGGS-NXEZZACHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221897 675195373 /nfs/dbraw/zinc/19/53/73/675195373.db2.gz QXMRIBGXZGZGGS-NXEZZACHSA-N 0 2 355.778 2.372 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCCO)cc2)c([N+](=O)[O-])c1 ZINC000609511866 675924041 /nfs/dbraw/zinc/92/40/41/675924041.db2.gz OBEZZBISUHLAMM-UHFFFAOYSA-N 0 2 352.368 2.075 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609657945 675931154 /nfs/dbraw/zinc/93/11/54/675931154.db2.gz WDVQMFCRZNYGHE-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NCc1cccs1 ZINC000592866188 672848493 /nfs/dbraw/zinc/84/84/93/672848493.db2.gz CYSXVOKDNCEYOQ-CYBMUJFWSA-N 0 2 363.395 2.187 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(n2)OCCO3)cc1[N+](=O)[O-] ZINC000594728111 673124743 /nfs/dbraw/zinc/12/47/43/673124743.db2.gz UCHFXAAYKTXZDE-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN COCCn1c(=O)cc(O)nc1SCc1cc([N+](=O)[O-])ccc1Cl ZINC000735488480 673494334 /nfs/dbraw/zinc/49/43/34/673494334.db2.gz PLQINGJZVUBWRP-UHFFFAOYSA-N 0 2 371.802 2.449 20 5 FEBDLN CCc1cnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])s1 ZINC000743047844 673747878 /nfs/dbraw/zinc/74/78/78/673747878.db2.gz DJDLTAMIROYGTC-UHFFFAOYSA-N 0 2 358.357 2.323 20 5 FEBDLN COCCn1c(=O)cc(O)nc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000768510725 680948775 /nfs/dbraw/zinc/94/87/75/680948775.db2.gz CABPAZXOVZLBHT-UHFFFAOYSA-N 0 2 371.802 2.449 20 5 FEBDLN O=C(Nc1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000768858461 680961938 /nfs/dbraw/zinc/96/19/38/680961938.db2.gz OKKQINXVRFJEEL-UHFFFAOYSA-N 0 2 368.396 2.201 20 5 FEBDLN CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000770857037 681029834 /nfs/dbraw/zinc/02/98/34/681029834.db2.gz OYVCMALIVGAXNW-MQSIBISMSA-N 0 2 365.411 2.497 20 5 FEBDLN Cc1c(F)ccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000847092104 681332200 /nfs/dbraw/zinc/33/22/00/681332200.db2.gz QMZKWFAYIOQDHT-SECBINFHSA-N 0 2 350.306 2.151 20 5 FEBDLN COc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)nc1 ZINC000799185752 683434668 /nfs/dbraw/zinc/43/46/68/683434668.db2.gz SCWQYRMEEIUSIQ-UHFFFAOYSA-N 0 2 358.763 2.156 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000866284270 684088211 /nfs/dbraw/zinc/08/82/11/684088211.db2.gz NPGDIVVICKGDHO-NSHDSACASA-N 0 2 352.700 2.291 20 5 FEBDLN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000031144163 539898907 /nfs/dbraw/zinc/89/89/07/539898907.db2.gz BYLBNIHKENZTKG-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055622846 540664278 /nfs/dbraw/zinc/66/42/78/540664278.db2.gz IZIOGBCHQFWTQO-UHFFFAOYSA-N 0 2 363.395 2.454 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)cc1[N+](=O)[O-] ZINC000063850181 541188312 /nfs/dbraw/zinc/18/83/12/541188312.db2.gz GMMVNZKDMIPVDY-UHFFFAOYSA-N 0 2 366.399 2.492 20 5 FEBDLN COC(=O)C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000064651622 541214763 /nfs/dbraw/zinc/21/47/63/541214763.db2.gz DLNMOWPHDALOLO-ZDUSSCGKSA-N 0 2 362.313 2.474 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000080327200 542584372 /nfs/dbraw/zinc/58/43/72/542584372.db2.gz JKRRWHWHDCJITI-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 ZINC000153777498 544821502 /nfs/dbraw/zinc/82/15/02/544821502.db2.gz ZWEMSZLKLFYJIJ-UHFFFAOYSA-N 0 2 350.312 2.347 20 5 FEBDLN O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000179452661 327644283 /nfs/dbraw/zinc/64/42/83/327644283.db2.gz MKWHTKVEPCGHGX-INIZCTEOSA-N 0 2 369.377 2.394 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1[N+](=O)[O-] ZINC000189245212 328137086 /nfs/dbraw/zinc/13/70/86/328137086.db2.gz PBTCTEULMSUUOJ-UHFFFAOYSA-N 0 2 363.351 2.447 20 5 FEBDLN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000101669304 325476558 /nfs/dbraw/zinc/47/65/58/325476558.db2.gz JVAHJLDLAHKOLJ-GFCCVEGCSA-N 0 2 363.414 2.313 20 5 FEBDLN Cc1nc(N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)sc1C ZINC000153119484 326724414 /nfs/dbraw/zinc/72/44/14/326724414.db2.gz QTWOFYVXIBLRDI-UHFFFAOYSA-N 0 2 362.411 2.336 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000157869810 326877976 /nfs/dbraw/zinc/87/79/76/326877976.db2.gz PBAUMDSNCIOPNK-OAHLLOKOSA-N 0 2 355.350 2.178 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174883642 327357815 /nfs/dbraw/zinc/35/78/15/327357815.db2.gz KPZKFQSLRLCJPQ-SFHVURJKSA-N 0 2 362.474 2.205 20 5 FEBDLN CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000248487420 328722287 /nfs/dbraw/zinc/72/22/87/328722287.db2.gz LVGRJNUBFORJCA-BFQNTYOBSA-N 0 2 351.403 2.373 20 5 FEBDLN C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000262984315 328905911 /nfs/dbraw/zinc/90/59/11/328905911.db2.gz LFFOECDEBQDISO-KRWDZBQOSA-N 0 2 358.354 2.107 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1[N+](=O)[O-] ZINC000267634452 329345287 /nfs/dbraw/zinc/34/52/87/329345287.db2.gz IDTOTPOCNAOJLB-UHFFFAOYSA-N 0 2 372.428 2.454 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000268740014 329451416 /nfs/dbraw/zinc/45/14/16/329451416.db2.gz QISGOTXOGRZOJR-GFCCVEGCSA-N 0 2 365.386 2.382 20 5 FEBDLN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000155524945 545536707 /nfs/dbraw/zinc/53/67/07/545536707.db2.gz WJDVCCSTVWTKNU-UHFFFAOYSA-N 0 2 358.137 2.408 20 5 FEBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000158636516 545879392 /nfs/dbraw/zinc/87/93/92/545879392.db2.gz DSRQWJNARLKSTQ-UHFFFAOYSA-N 0 2 363.395 2.454 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(OCCO)cc2)c1[N+](=O)[O-] ZINC000480197788 561204647 /nfs/dbraw/zinc/20/46/47/561204647.db2.gz MRAMFFTZAWOLTJ-UHFFFAOYSA-N 0 2 366.395 2.384 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000179456586 546957676 /nfs/dbraw/zinc/95/76/76/546957676.db2.gz LIZXVEZBPGHFOQ-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN COc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1O ZINC000484175419 561292920 /nfs/dbraw/zinc/29/29/20/561292920.db2.gz QLOSZXRQSQJECW-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2n[nH]c3ccc(F)cc32)cc1[N+](=O)[O-] ZINC000484439083 561297882 /nfs/dbraw/zinc/29/78/82/561297882.db2.gz DZRTXZYYJFAJJI-UHFFFAOYSA-N 0 2 366.330 2.420 20 5 FEBDLN CC(C)[C@H](C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184505950 547838242 /nfs/dbraw/zinc/83/82/42/547838242.db2.gz VKVDJJWMUJWYEX-LBPRGKRZSA-N 0 2 363.414 2.313 20 5 FEBDLN O=c1ccc([N+](=O)[O-])cn1CCSc1n[nH]c(Cc2ccccc2)n1 ZINC000194600521 548504074 /nfs/dbraw/zinc/50/40/74/548504074.db2.gz QUHZPVMORLAXIF-UHFFFAOYSA-N 0 2 357.395 2.258 20 5 FEBDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000488454877 561390141 /nfs/dbraw/zinc/39/01/41/561390141.db2.gz DRNRTZTWZGBFAK-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN CC(C)[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000248487421 549449405 /nfs/dbraw/zinc/44/94/05/549449405.db2.gz LVGRJNUBFORJCA-XHBSWPGZSA-N 0 2 351.403 2.373 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000274848637 550559340 /nfs/dbraw/zinc/55/93/40/550559340.db2.gz ALKOUEAOOREBDA-ZDUSSCGKSA-N 0 2 370.365 2.186 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000274865901 550560795 /nfs/dbraw/zinc/56/07/95/550560795.db2.gz WNYCBHSYCSBZNT-HNNXBMFYSA-N 0 2 370.361 2.414 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nnc(CC(C)(C)C)o1 ZINC000278390170 550780121 /nfs/dbraw/zinc/78/01/21/550780121.db2.gz MUAPCTUHFUHVBV-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN O=C(CC1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1)N1CCCC1 ZINC000280867689 551040622 /nfs/dbraw/zinc/04/06/22/551040622.db2.gz DXDOVHKRULCBAC-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n(C)n1 ZINC000290490880 552487602 /nfs/dbraw/zinc/48/76/02/552487602.db2.gz JDZPAXLLOOUDOM-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN CCCNC(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000506313144 561695410 /nfs/dbraw/zinc/69/54/10/561695410.db2.gz UDEQZKZZQHDGFN-UHFFFAOYSA-N 0 2 357.366 2.370 20 5 FEBDLN Cc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)c([N+](=O)[O-])c1 ZINC000508082509 561750894 /nfs/dbraw/zinc/75/08/94/561750894.db2.gz HRZCDQQBUGYTSS-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509576978 561805947 /nfs/dbraw/zinc/80/59/47/561805947.db2.gz JGGSJPZRSXSZBL-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000510000176 561821255 /nfs/dbraw/zinc/82/12/55/561821255.db2.gz ZJPXCOWZDDZMCZ-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN CO[C@@H](C)c1nc(=NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s[n-]1 ZINC000511106152 561857190 /nfs/dbraw/zinc/85/71/90/561857190.db2.gz NAAWINVWWXMJEL-VIFPVBQESA-N 0 2 374.382 2.014 20 5 FEBDLN CN(C(=O)[C@@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)CC2)C1CC1 ZINC000363695598 555166361 /nfs/dbraw/zinc/16/63/61/555166361.db2.gz OGLHNVMQIMQQGG-HNNXBMFYSA-N 0 2 373.409 2.164 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2oc(=O)n3C)cc1[N+](=O)[O-] ZINC000512735110 561913640 /nfs/dbraw/zinc/91/36/40/561913640.db2.gz WDEMRJOHDAAIGM-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN Cc1cn(-c2cccnc2)nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000367011213 555996540 /nfs/dbraw/zinc/99/65/40/555996540.db2.gz QIUMBWIKZUYHGK-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000368454772 556314540 /nfs/dbraw/zinc/31/45/40/556314540.db2.gz MCAAOCRUGBLBMP-MRXNPFEDSA-N 0 2 373.340 2.317 20 5 FEBDLN Cc1ccc(N2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2=O)cc1 ZINC000368456318 556315147 /nfs/dbraw/zinc/31/51/47/556315147.db2.gz ZCEBKGYQOLWCBI-OAHLLOKOSA-N 0 2 355.350 2.144 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-n2cncn2)c(F)c1 ZINC000516333419 562040080 /nfs/dbraw/zinc/04/00/80/562040080.db2.gz DTXYPPGTJFSDHU-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccccn2)CC1 ZINC000370418705 556867652 /nfs/dbraw/zinc/86/76/52/556867652.db2.gz NDQRMPTWCYTZHU-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1=O ZINC000373261677 557660891 /nfs/dbraw/zinc/66/08/91/557660891.db2.gz XHOOELLSFPMLCE-NSHDSACASA-N 0 2 371.349 2.443 20 5 FEBDLN CC[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@]2(CCCOC2)O1 ZINC000373697246 557740540 /nfs/dbraw/zinc/74/05/40/557740540.db2.gz QHJFHIJABIIZHA-GUYCJALGSA-N 0 2 350.371 2.101 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1c1ccccc1 ZINC000374100145 557823295 /nfs/dbraw/zinc/82/32/95/557823295.db2.gz CYEMOSBDOBBWJT-JKSUJKDBSA-N 0 2 370.361 2.329 20 5 FEBDLN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000376280378 558151409 /nfs/dbraw/zinc/15/14/09/558151409.db2.gz WVRBKDNOFYRWKN-RISCZKNCSA-N 0 2 374.353 2.211 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000376322693 558157922 /nfs/dbraw/zinc/15/79/22/558157922.db2.gz RFWCQPTTZYQMFP-NSHDSACASA-N 0 2 373.369 2.002 20 5 FEBDLN CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377733993 558408131 /nfs/dbraw/zinc/40/81/31/558408131.db2.gz DTCJOUUSKSIAKG-UONOGXRCSA-N 0 2 361.398 2.306 20 5 FEBDLN O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000377880624 558440747 /nfs/dbraw/zinc/44/07/47/558440747.db2.gz UYHJTDXDWMCKPS-UHFFFAOYSA-N 0 2 366.765 2.483 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000392937254 558619590 /nfs/dbraw/zinc/61/95/90/558619590.db2.gz NFFAYAHPXIBGIW-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1cc(OCC(=O)N=c2nc(C(C)(C)C)[nH]s2)ccc1[N+](=O)[O-] ZINC000430535439 559821870 /nfs/dbraw/zinc/82/18/70/559821870.db2.gz APXHVTWPOINQGM-UHFFFAOYSA-N 0 2 350.400 2.492 20 5 FEBDLN COC(=O)COc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c(C)c1 ZINC000436626815 559947065 /nfs/dbraw/zinc/94/70/65/559947065.db2.gz LJOOWYSQNYAYOK-UHFFFAOYSA-N 0 2 360.322 2.413 20 5 FEBDLN COC(=O)c1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000436625965 559947201 /nfs/dbraw/zinc/94/72/01/559947201.db2.gz GPMBFNGGSMXERG-UHFFFAOYSA-N 0 2 374.305 2.126 20 5 FEBDLN C[C@H]1[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC(=O)N1Cc1ccccc1 ZINC000436782213 559951838 /nfs/dbraw/zinc/95/18/38/559951838.db2.gz MPNPHZIASWBKSL-BLLLJJGKSA-N 0 2 369.377 2.220 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436928006 559956694 /nfs/dbraw/zinc/95/66/94/559956694.db2.gz AZGBOEXYVYXCOO-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(Nc1ccccc1)[C@@H]1CSCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436947228 559957266 /nfs/dbraw/zinc/95/72/66/559957266.db2.gz FXXKLNLAKFSQFK-AWEZNQCLSA-N 0 2 373.390 2.454 20 5 FEBDLN Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)c(N2CCOCC2)c1 ZINC000436989473 559958701 /nfs/dbraw/zinc/95/87/01/559958701.db2.gz MDEQXLRDVZRRFA-UHFFFAOYSA-N 0 2 371.393 2.375 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)cc1[N+](=O)[O-] ZINC000442626346 560053628 /nfs/dbraw/zinc/05/36/28/560053628.db2.gz VVTKSWYVXDHQLQ-UHFFFAOYSA-N 0 2 356.429 2.275 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c(O)c1 ZINC000442840402 560059320 /nfs/dbraw/zinc/05/93/20/560059320.db2.gz DKKXBAJZMOXXJS-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000446431704 560145896 /nfs/dbraw/zinc/14/58/96/560145896.db2.gz QDBIZJKWSGATDX-KRWDZBQOSA-N 0 2 350.371 2.352 20 5 FEBDLN CC(C)Oc1ccc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])nn1 ZINC000446963932 560154390 /nfs/dbraw/zinc/15/43/90/560154390.db2.gz DUTYBNOJORZYFW-UHFFFAOYSA-N 0 2 352.372 2.114 20 5 FEBDLN O=c1[nH]nc(CNc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])[nH]1 ZINC000447685123 560167064 /nfs/dbraw/zinc/16/70/64/560167064.db2.gz IAIKULNDIIGSBI-UHFFFAOYSA-N 0 2 354.195 2.080 20 5 FEBDLN CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000449496145 560231844 /nfs/dbraw/zinc/23/18/44/560231844.db2.gz ISVMFBBNSHCFMM-IBGZPJMESA-N 0 2 374.485 2.361 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1[C@H]1CCOC1 ZINC000451100680 560287147 /nfs/dbraw/zinc/28/71/47/560287147.db2.gz WNABZDROWLIYKQ-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452950737 560378906 /nfs/dbraw/zinc/37/89/06/560378906.db2.gz YGWCUHYSQJZUCV-MAUKXSAKSA-N 0 2 360.341 2.241 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)[C@H]1n1cccn1 ZINC000456622899 560526140 /nfs/dbraw/zinc/52/61/40/560526140.db2.gz BINKVPVUXGTPQY-NUEKZKHPSA-N 0 2 374.397 2.424 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@H]1c1ccccc1 ZINC000456968153 560541144 /nfs/dbraw/zinc/54/11/44/560541144.db2.gz WXOOMYNNMWAOBY-HUUCEWRRSA-N 0 2 370.361 2.329 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@H]1c1ccccc1 ZINC000456968137 560541150 /nfs/dbraw/zinc/54/11/50/560541150.db2.gz WWCHYZZMOHNQPT-HOTGVXAUSA-N 0 2 370.361 2.329 20 5 FEBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000456968972 560541155 /nfs/dbraw/zinc/54/11/55/560541155.db2.gz QUOQRTDACQQIQV-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)ccc1F ZINC000463467239 560816210 /nfs/dbraw/zinc/81/62/10/560816210.db2.gz AOBLAXZSIGCWEG-UHFFFAOYSA-N 0 2 368.346 2.197 20 5 FEBDLN CN(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000464417044 560841125 /nfs/dbraw/zinc/84/11/25/560841125.db2.gz ASVIBLFFNLMNEB-UHFFFAOYSA-N 0 2 373.394 2.405 20 5 FEBDLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000467765263 560916736 /nfs/dbraw/zinc/91/67/36/560916736.db2.gz CCDRLDGNQKXRPY-UHFFFAOYSA-N 0 2 369.330 2.199 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000468375312 560928286 /nfs/dbraw/zinc/92/82/86/560928286.db2.gz YELYFKVAZJJELU-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN COC(=O)[C@@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccsc1 ZINC000468864957 560940871 /nfs/dbraw/zinc/94/08/71/560940871.db2.gz HBEJCQDVZYRTDA-LBPRGKRZSA-N 0 2 370.408 2.157 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000469888784 560968115 /nfs/dbraw/zinc/96/81/15/560968115.db2.gz LZIGUDMKHBTYEH-LLVKDONJSA-N 0 2 360.322 2.007 20 5 FEBDLN COC(=O)[C@](C)(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000470881428 560992833 /nfs/dbraw/zinc/99/28/33/560992833.db2.gz ATDUUBYUTBATRQ-GOSISDBHSA-N 0 2 358.350 2.161 20 5 FEBDLN COc1cccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000476810233 561128891 /nfs/dbraw/zinc/12/88/91/561128891.db2.gz UNIBXCJCWLPSHG-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(O)cc([N+](=O)[O-])c2)c1 ZINC000477118695 561137167 /nfs/dbraw/zinc/13/71/67/561137167.db2.gz IDQKYAVBJZKCNQ-UHFFFAOYSA-N 0 2 366.351 2.052 20 5 FEBDLN O=C(NCCc1csc(N2CCCC2)n1)c1cccc(O)c1[N+](=O)[O-] ZINC000569097698 568275029 /nfs/dbraw/zinc/27/50/29/568275029.db2.gz UAPXASKEMVOTGQ-UHFFFAOYSA-N 0 2 362.411 2.330 20 5 FEBDLN Cc1oc(C[N@@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-] ZINC000738966818 600430588 /nfs/dbraw/zinc/43/05/88/600430588.db2.gz JETUFKZAPKBEFG-MRXNPFEDSA-N 0 2 373.365 2.432 20 5 FEBDLN Cc1oc(C[N@H+](C)[C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)cc1C(=O)[O-] ZINC000738966818 600430591 /nfs/dbraw/zinc/43/05/91/600430591.db2.gz JETUFKZAPKBEFG-MRXNPFEDSA-N 0 2 373.365 2.432 20 5 FEBDLN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832819 605890245 /nfs/dbraw/zinc/89/02/45/605890245.db2.gz URVPDLSUNLDOGH-NXEZZACHSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[C@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832819 605890249 /nfs/dbraw/zinc/89/02/49/605890249.db2.gz URVPDLSUNLDOGH-NXEZZACHSA-N 0 2 370.793 2.165 20 5 FEBDLN CCc1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000821496801 607153781 /nfs/dbraw/zinc/15/37/81/607153781.db2.gz JOYGXWKYBNSKNW-UHFFFAOYSA-N 0 2 374.382 2.138 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cs1 ZINC000120038868 671915304 /nfs/dbraw/zinc/91/53/04/671915304.db2.gz NZUUOKQNIYYZCB-UHFFFAOYSA-N 0 2 369.409 2.371 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000172894810 672345612 /nfs/dbraw/zinc/34/56/12/672345612.db2.gz IQRJYVLDVHECJV-UHFFFAOYSA-N 0 2 364.305 2.305 20 5 FEBDLN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000586804104 672435858 /nfs/dbraw/zinc/43/58/58/672435858.db2.gz JRDFLPPGYDLYDV-NSHDSACASA-N 0 2 350.371 2.352 20 5 FEBDLN O=C(NC[C@H](CO)c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000588786157 672481135 /nfs/dbraw/zinc/48/11/35/672481135.db2.gz CGNLMRCIJGFJIA-LLVKDONJSA-N 0 2 350.758 2.460 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C(F)(F)F)nn1C ZINC000596046368 673353075 /nfs/dbraw/zinc/35/30/75/673353075.db2.gz QQNQGFPNSNZVLZ-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cccc3c2OCCO3)ccc1[N+](=O)[O-] ZINC000536105040 673361298 /nfs/dbraw/zinc/36/12/98/673361298.db2.gz ZSPPQHZRCGULPJ-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)cc1[N+](=O)[O-] ZINC000742028442 673704345 /nfs/dbraw/zinc/70/43/45/673704345.db2.gz LUAPEHMUOJRYSL-UHFFFAOYSA-N 0 2 365.342 2.087 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(C)s2)c([N+](=O)[O-])c1 ZINC000603492505 675799797 /nfs/dbraw/zinc/79/97/97/675799797.db2.gz HMBYVBIQLYOVAG-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN COc1cc(-c2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)cc(Br)c1O ZINC000842498384 680950902 /nfs/dbraw/zinc/95/09/02/680950902.db2.gz YADMRTRHBBDPKN-HTRCEHHLSA-N 0 2 356.132 2.346 20 5 FEBDLN COc1cc(-c2noc([C@@H]3CC3[N+](=O)[O-])n2)cc(Br)c1O ZINC000842498384 680950904 /nfs/dbraw/zinc/95/09/04/680950904.db2.gz YADMRTRHBBDPKN-HTRCEHHLSA-N 0 2 356.132 2.346 20 5 FEBDLN O=C(Cc1noc([C@@H]2C[C@H]2[N+](=O)[O-])n1)Nc1cccc(C(F)(F)F)c1 ZINC000842499355 680951098 /nfs/dbraw/zinc/95/10/98/680951098.db2.gz ZQZSKFGZQZTEQS-NXEZZACHSA-N 0 2 356.260 2.402 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000777932136 681544918 /nfs/dbraw/zinc/54/49/18/681544918.db2.gz BCLUVYHGYMHLLE-UHFFFAOYSA-N 0 2 371.346 2.266 20 5 FEBDLN Cc1nnc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)s1 ZINC000795919292 683108355 /nfs/dbraw/zinc/10/83/55/683108355.db2.gz PTIIZWSTKQALFC-UHFFFAOYSA-N 0 2 366.783 2.026 20 5 FEBDLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000006316556 539425096 /nfs/dbraw/zinc/42/50/96/539425096.db2.gz GNLKASSKKQDQJS-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)c([N+](=O)[O-])c1 ZINC000028195757 539827836 /nfs/dbraw/zinc/82/78/36/539827836.db2.gz MPUBMDQHXSTBHI-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN O=C(c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000031252024 539902783 /nfs/dbraw/zinc/90/27/83/539902783.db2.gz VAJXQCVBSYZOIH-UHFFFAOYSA-N 0 2 369.377 2.289 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000055589023 540661287 /nfs/dbraw/zinc/66/12/87/540661287.db2.gz FJZYHDJDVGJWLG-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000057121877 540770028 /nfs/dbraw/zinc/77/00/28/540770028.db2.gz YBZQMOVTTDPOGM-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060441677 541112602 /nfs/dbraw/zinc/11/26/02/541112602.db2.gz BVPZHEYFMQSCIX-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)cc1C ZINC000066586282 541341503 /nfs/dbraw/zinc/34/15/03/541341503.db2.gz FQRDJNYPXUOZGQ-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000067857600 541521185 /nfs/dbraw/zinc/52/11/85/541521185.db2.gz WSSXRFWRXAMCRW-AWEZNQCLSA-N 0 2 360.366 2.087 20 5 FEBDLN O=C(NCc1ccccc1N1CCOCC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000068466284 541595857 /nfs/dbraw/zinc/59/58/57/541595857.db2.gz RPLVLEWRTKITKK-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN CC(C)(O)CCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387548 674125170 /nfs/dbraw/zinc/12/51/70/674125170.db2.gz ZFZKBNMBUOGIAA-UHFFFAOYSA-N 0 2 369.761 2.457 20 5 FEBDLN Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2)[nH]1 ZINC000103282049 543100463 /nfs/dbraw/zinc/10/04/63/543100463.db2.gz DLGSOHWVTXLZHA-HNNXBMFYSA-N 0 2 353.338 2.246 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000152660483 544680302 /nfs/dbraw/zinc/68/03/02/544680302.db2.gz IBATUZOYAFKXBE-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN CC(C)(C)c1ccc(NC(=O)CC2SC(=N)NC2=O)cc1[N+](=O)[O-] ZINC000803615995 674251515 /nfs/dbraw/zinc/25/15/15/674251515.db2.gz JWIDEIPSGQIZGO-NSHDSACASA-N 0 2 350.400 2.387 20 5 FEBDLN O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179415270 327641823 /nfs/dbraw/zinc/64/18/23/327641823.db2.gz SDEIJVNCRABKNI-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000191796875 328282451 /nfs/dbraw/zinc/28/24/51/328282451.db2.gz PPDQBRIIHFTMBX-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC(F)(F)C(F)F ZINC000192134486 328301668 /nfs/dbraw/zinc/30/16/68/328301668.db2.gz RCHUVWYGBSAFGP-UHFFFAOYSA-N 0 2 350.677 2.427 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000080327265 325128045 /nfs/dbraw/zinc/12/80/45/325128045.db2.gz SZKNDZPKBFJHRC-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1C ZINC000080327476 325128544 /nfs/dbraw/zinc/12/85/44/325128544.db2.gz JHXXDVYPABFQJT-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(C(N)=O)c(C)c2)cc1[N+](=O)[O-] ZINC000119144037 326131328 /nfs/dbraw/zinc/13/13/28/326131328.db2.gz NNEKMZBVRJARIE-UHFFFAOYSA-N 0 2 355.397 2.173 20 5 FEBDLN NC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000131262419 326571325 /nfs/dbraw/zinc/57/13/25/326571325.db2.gz JQPARORHTUUGJQ-UHFFFAOYSA-N 0 2 369.786 2.077 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2cc(F)ccc21 ZINC000157846231 326877092 /nfs/dbraw/zinc/87/70/92/326877092.db2.gz JLPJJABGXSNRKI-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN COCCn1ccc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)n1 ZINC000158806479 326908168 /nfs/dbraw/zinc/90/81/68/326908168.db2.gz JGCGXRYYMAGFOM-UHFFFAOYSA-N 0 2 374.806 2.200 20 5 FEBDLN CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nnc2n1CCCCC2 ZINC000272473653 329784137 /nfs/dbraw/zinc/78/41/37/329784137.db2.gz ZPIWMFVAUOCOTG-CYBMUJFWSA-N 0 2 359.386 2.499 20 5 FEBDLN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273159843 329841823 /nfs/dbraw/zinc/84/18/23/329841823.db2.gz BEODIUMKRSWMGN-JTQLQIEISA-N 0 2 351.359 2.040 20 5 FEBDLN O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000331801233 330201972 /nfs/dbraw/zinc/20/19/72/330201972.db2.gz IPCOYZQQAVOMPP-HNNXBMFYSA-N 0 2 361.398 2.354 20 5 FEBDLN O=C(NCc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1O ZINC000181917543 547405301 /nfs/dbraw/zinc/40/53/01/547405301.db2.gz YDDSBTDNQXEAQN-UHFFFAOYSA-N 0 2 357.366 2.067 20 5 FEBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-n2ccnn2)cc1 ZINC000182160146 547446319 /nfs/dbraw/zinc/44/63/19/547446319.db2.gz OGDQZVSBZLCODF-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN Cc1ncc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])cn1 ZINC000484994943 561310091 /nfs/dbraw/zinc/31/00/91/561310091.db2.gz RUBQNQLXHCWOKS-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000262868156 549857819 /nfs/dbraw/zinc/85/78/19/549857819.db2.gz FWRLSMBQUVOUAX-ZENOOKHLSA-N 0 2 370.365 2.106 20 5 FEBDLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000274361264 550534450 /nfs/dbraw/zinc/53/44/50/550534450.db2.gz NINPSWYIPVYUFQ-GFCCVEGCSA-N 0 2 350.371 2.494 20 5 FEBDLN CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC12CCCCC2 ZINC000274866854 550560643 /nfs/dbraw/zinc/56/06/43/550560643.db2.gz YNNXYQYPTLKNNH-UHFFFAOYSA-N 0 2 361.398 2.308 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000274920655 550564704 /nfs/dbraw/zinc/56/47/04/550564704.db2.gz JFLLVMCHJMGLCW-DOTOQJQBSA-N 0 2 372.377 2.265 20 5 FEBDLN O=C1C[C@@H](c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CN1CC1CCC1 ZINC000277912479 550728142 /nfs/dbraw/zinc/72/81/42/550728142.db2.gz MKNYLQOGUBEDFU-GFCCVEGCSA-N 0 2 358.354 2.466 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)o1 ZINC000278455911 550788392 /nfs/dbraw/zinc/78/83/92/550788392.db2.gz YUADZIDWEINBIJ-LLVKDONJSA-N 0 2 368.371 2.193 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000284963010 551677807 /nfs/dbraw/zinc/67/78/07/551677807.db2.gz DLYILJWEBSZUOH-UHFFFAOYSA-N 0 2 370.362 2.076 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc([N+](=O)[O-])c1F ZINC000285071899 551700380 /nfs/dbraw/zinc/70/03/80/551700380.db2.gz LTGGYRVBBYYEJH-UHFFFAOYSA-N 0 2 354.363 2.376 20 5 FEBDLN CCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286107485 551849760 /nfs/dbraw/zinc/84/97/60/551849760.db2.gz VZHOJOZUBRZUTK-GFCCVEGCSA-N 0 2 351.359 2.041 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(CO)(c2ccccc2)CC1 ZINC000293813647 552858941 /nfs/dbraw/zinc/85/89/41/552858941.db2.gz HBBDMOSORWAFBZ-UHFFFAOYSA-N 0 2 356.378 2.467 20 5 FEBDLN COc1cc(OC)c(OC)cc1CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000503695740 561647067 /nfs/dbraw/zinc/64/70/67/561647067.db2.gz IXZZGPWZSNIYHN-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN COc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c(OC)c1 ZINC000328051317 553792954 /nfs/dbraw/zinc/79/29/54/553792954.db2.gz SDWHWBGIUKFIHC-UHFFFAOYSA-N 0 2 370.358 2.230 20 5 FEBDLN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000368410002 556299661 /nfs/dbraw/zinc/29/96/61/556299661.db2.gz IXTQTPFHLJLDLP-ZDUSSCGKSA-N 0 2 361.354 2.337 20 5 FEBDLN Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000372239883 557418800 /nfs/dbraw/zinc/41/88/00/557418800.db2.gz DLIQTCCNEMOOMA-AWEZNQCLSA-N 0 2 370.365 2.247 20 5 FEBDLN O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000373153931 557640078 /nfs/dbraw/zinc/64/00/78/557640078.db2.gz NKORIZLCECPERK-LLVKDONJSA-N 0 2 362.367 2.000 20 5 FEBDLN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C[C@H](C)O2 ZINC000373735427 557747758 /nfs/dbraw/zinc/74/77/58/557747758.db2.gz HEIPOGDLLHALBK-PEBVRCNWSA-N 0 2 350.371 2.099 20 5 FEBDLN CN(C(=O)c1cccc(O)c1[N+](=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000374044693 557813385 /nfs/dbraw/zinc/81/33/85/557813385.db2.gz JJNKBVCLSDTMNH-CQSZACIVSA-N 0 2 373.340 2.317 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000375681414 558066950 /nfs/dbraw/zinc/06/69/50/558066950.db2.gz VWYBCLDLIFJECP-CYBMUJFWSA-N 0 2 361.398 2.165 20 5 FEBDLN COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000376091320 558125792 /nfs/dbraw/zinc/12/57/92/558125792.db2.gz IUQKTRFTSXCXSD-HIFRSBDPSA-N 0 2 356.334 2.432 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000377477257 558347233 /nfs/dbraw/zinc/34/72/33/558347233.db2.gz STZRGWATROMNLC-CQSZACIVSA-N 0 2 361.398 2.165 20 5 FEBDLN COCCOc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000523728174 562218663 /nfs/dbraw/zinc/21/86/63/562218663.db2.gz IIDVTECKQCGSJI-UHFFFAOYSA-N 0 2 367.383 2.124 20 5 FEBDLN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000421232100 559532459 /nfs/dbraw/zinc/53/24/59/559532459.db2.gz KGHPFAMBZNVMMN-AWEZNQCLSA-N 0 2 365.411 2.298 20 5 FEBDLN COC(=O)c1cccc2nc(NCc3cc(OC)c(O)c([N+](=O)[O-])c3)[nH]c21 ZINC000428337635 559773637 /nfs/dbraw/zinc/77/36/37/559773637.db2.gz NICLHAOETSJACT-UHFFFAOYSA-N 0 2 372.337 2.006 20 5 FEBDLN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000428370246 559774073 /nfs/dbraw/zinc/77/40/73/559774073.db2.gz OTQRQDYRYPLCNK-SNVBAGLBSA-N 0 2 368.353 2.280 20 5 FEBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1N1CCNC1=O ZINC000436822312 559953217 /nfs/dbraw/zinc/95/32/17/559953217.db2.gz OJYGYXFCXPIYKH-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN COc1cc(OC)cc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436887781 559955512 /nfs/dbraw/zinc/95/55/12/559955512.db2.gz KQULBQLUYPZLNY-UHFFFAOYSA-N 0 2 362.338 2.126 20 5 FEBDLN CCOC(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436918755 559956517 /nfs/dbraw/zinc/95/65/17/559956517.db2.gz IUEGMCACXVQJKL-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])cc1O)NC(=O)CC2 ZINC000436940070 559957096 /nfs/dbraw/zinc/95/70/96/559957096.db2.gz SZEBOEUICAZEHK-UHFFFAOYSA-N 0 2 357.322 2.446 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000436971395 559957799 /nfs/dbraw/zinc/95/77/99/559957799.db2.gz ONONRVLPDJYICK-CHWSQXEVSA-N 0 2 352.412 2.427 20 5 FEBDLN COc1cccc(N2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000436971100 559957895 /nfs/dbraw/zinc/95/78/95/559957895.db2.gz NQUQPOPFMKGFEV-LBPRGKRZSA-N 0 2 357.366 2.318 20 5 FEBDLN CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1nnc2ccccn21 ZINC000436969393 559957934 /nfs/dbraw/zinc/95/79/34/559957934.db2.gz XZRNYRRMULLGLN-HNNXBMFYSA-N 0 2 355.354 2.470 20 5 FEBDLN O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1cc([N+](=O)[O-])ccc1O ZINC000436974210 559958065 /nfs/dbraw/zinc/95/80/65/559958065.db2.gz XBZJHGRYRYGNCN-HIFRSBDPSA-N 0 2 366.320 2.268 20 5 FEBDLN CCO[C@H](C)c1noc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)n1 ZINC000436980430 559958230 /nfs/dbraw/zinc/95/82/30/559958230.db2.gz NKVZYUPXLKNKOO-SECBINFHSA-N 0 2 350.331 2.053 20 5 FEBDLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442248857 560046777 /nfs/dbraw/zinc/04/67/77/560046777.db2.gz IEHAMXKPFKTAPC-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc[nH]c(=O)c1Br ZINC000446427062 560145806 /nfs/dbraw/zinc/14/58/06/560145806.db2.gz ZAEZZYLNBXXNIN-UHFFFAOYSA-N 0 2 354.116 2.416 20 5 FEBDLN C[C@@H]1CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)C1 ZINC000448710773 560195901 /nfs/dbraw/zinc/19/59/01/560195901.db2.gz VBCNGHVDEOFPNO-CQSZACIVSA-N 0 2 357.414 2.242 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cnn1[C@H]1CCOC1 ZINC000451100778 560287090 /nfs/dbraw/zinc/28/70/90/560287090.db2.gz XORLYQMIFQNGMC-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000457251208 560558375 /nfs/dbraw/zinc/55/83/75/560558375.db2.gz ZUEPTUBAZPLVFK-KRWDZBQOSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cnn1-c1ccccn1 ZINC000462070800 560795103 /nfs/dbraw/zinc/79/51/03/560795103.db2.gz INEMWYSKPPAUAX-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN COc1cc(F)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1OC ZINC000467768431 560916813 /nfs/dbraw/zinc/91/68/13/560916813.db2.gz IUMLFGMTKXGFCF-UHFFFAOYSA-N 0 2 372.330 2.258 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2ccc(C(C)=O)cn2)ccc1[N+](=O)[O-] ZINC000534792596 562542440 /nfs/dbraw/zinc/54/24/40/562542440.db2.gz GTHMFANOVMGNLS-UHFFFAOYSA-N 0 2 351.340 2.002 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C2CC2)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000808581973 674464058 /nfs/dbraw/zinc/46/40/58/674464058.db2.gz NSQLLTSIEVCXRW-JTQLQIEISA-N 0 2 369.277 2.122 20 5 FEBDLN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])CC2 ZINC000739279373 600300325 /nfs/dbraw/zinc/30/03/25/600300325.db2.gz WCWRMSGRFFNQKU-NSHDSACASA-N 0 2 367.789 2.373 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1ccc([N+](=O)[O-])cc1 ZINC000833954819 605816409 /nfs/dbraw/zinc/81/64/09/605816409.db2.gz NFCVLZYUJZZHME-DZGCQCFKSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(N2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000822270933 606723527 /nfs/dbraw/zinc/72/35/27/606723527.db2.gz DWPPPPKHBYHLGR-UHFFFAOYSA-N 0 2 365.397 2.410 20 5 FEBDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000560554127 674599086 /nfs/dbraw/zinc/59/90/86/674599086.db2.gz UPXGBLJNULMJDT-UHFFFAOYSA-N 0 2 367.412 2.356 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1[N+](=O)[O-] ZINC000564314882 674994094 /nfs/dbraw/zinc/99/40/94/674994094.db2.gz CYHSSRRPBIQLTR-UHFFFAOYSA-N 0 2 358.351 2.321 20 5 FEBDLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000564972918 675083862 /nfs/dbraw/zinc/08/38/62/675083862.db2.gz NADVJWAZQBIXOB-LLVKDONJSA-N 0 2 366.399 2.023 20 5 FEBDLN O=C1NCc2c1cccc2NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000570519271 670726370 /nfs/dbraw/zinc/72/63/70/670726370.db2.gz SUYQMEITIQRICC-UHFFFAOYSA-N 0 2 367.770 2.292 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1[N+](=O)[O-] ZINC000172884250 672345455 /nfs/dbraw/zinc/34/54/55/672345455.db2.gz WPIVSWPTSBEKDE-UHFFFAOYSA-N 0 2 367.314 2.278 20 5 FEBDLN CCOC(=O)c1sc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])nc1C ZINC000586794600 672435298 /nfs/dbraw/zinc/43/52/98/672435298.db2.gz VUZJREZPUDQKPL-UHFFFAOYSA-N 0 2 365.367 2.172 20 5 FEBDLN CO[C@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(C)C ZINC000592351827 672790615 /nfs/dbraw/zinc/79/06/15/672790615.db2.gz CLNRDQWZHJWYFH-CQSZACIVSA-N 0 2 368.415 2.398 20 5 FEBDLN CO[C@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C(C)C ZINC000592351827 672790617 /nfs/dbraw/zinc/79/06/17/672790617.db2.gz CLNRDQWZHJWYFH-CQSZACIVSA-N 0 2 368.415 2.398 20 5 FEBDLN Cc1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)cn1 ZINC000728510061 673202266 /nfs/dbraw/zinc/20/22/66/673202266.db2.gz WIJQKKIZWQCBSP-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN CCOC(=O)c1ccc(S(=O)(=O)Cc2onc(C)c2[N+](=O)[O-])c(F)c1 ZINC000596022235 673349322 /nfs/dbraw/zinc/34/93/22/673349322.db2.gz SORBAWLIDLAICW-UHFFFAOYSA-N 0 2 372.330 2.181 20 5 FEBDLN Cc1sc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1CS(C)(=O)=O ZINC000536188261 673363429 /nfs/dbraw/zinc/36/34/29/673363429.db2.gz VFEZCXGFRBPGEU-UHFFFAOYSA-N 0 2 370.408 2.467 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000597491618 673482317 /nfs/dbraw/zinc/48/23/17/673482317.db2.gz PCMCWBGQGFFYQY-UWVGGRQHSA-N 0 2 364.276 2.223 20 5 FEBDLN COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000614014657 676156878 /nfs/dbraw/zinc/15/68/78/676156878.db2.gz MCJSLMUZMHQFED-LLVKDONJSA-N 0 2 350.371 2.352 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(OC)n1 ZINC000604471270 675805386 /nfs/dbraw/zinc/80/53/86/675805386.db2.gz RWFDWRGDDJWNSJ-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C2CC2)s1 ZINC000619507132 676382462 /nfs/dbraw/zinc/38/24/62/676382462.db2.gz GTWIAYNBDITYOB-UHFFFAOYSA-N 0 2 356.385 2.133 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)ccc1Cl ZINC000749999078 680094090 /nfs/dbraw/zinc/09/40/90/680094090.db2.gz ZXWCWKYOGBPVOG-UHFFFAOYSA-N 0 2 353.747 2.320 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)ccc1Cl ZINC000749999078 680094093 /nfs/dbraw/zinc/09/40/93/680094093.db2.gz ZXWCWKYOGBPVOG-UHFFFAOYSA-N 0 2 353.747 2.320 20 5 FEBDLN CC(=O)N1CCc2c1cccc2NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768886742 680963486 /nfs/dbraw/zinc/96/34/86/680963486.db2.gz LYPLUTVHXVAKEF-UHFFFAOYSA-N 0 2 367.408 2.366 20 5 FEBDLN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000843876476 681023500 /nfs/dbraw/zinc/02/35/00/681023500.db2.gz ZZZOZTSIHKSDOP-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN CC(C)OC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000772983707 681121087 /nfs/dbraw/zinc/12/10/87/681121087.db2.gz LFQMXXVGRMAWRZ-UHFFFAOYSA-N 0 2 351.359 2.040 20 5 FEBDLN O=C(OCCCNC(=O)C(F)(F)F)c1cc(F)c(F)cc1[N+](=O)[O-] ZINC000774938793 681254203 /nfs/dbraw/zinc/25/42/03/681254203.db2.gz DYUQTMKPVOJEQM-UHFFFAOYSA-N 0 2 356.203 2.098 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1OC ZINC000794608687 682983744 /nfs/dbraw/zinc/98/37/44/682983744.db2.gz MAEBUNMTZYCREP-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN C[C@@H](CCNC(=O)c1cc(O)ccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000795919297 683108346 /nfs/dbraw/zinc/10/83/46/683108346.db2.gz PUUBLFXLJCYDPN-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000025229763 539751483 /nfs/dbraw/zinc/75/14/83/539751483.db2.gz YBDBPBSOAPOFBH-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000047211472 540297234 /nfs/dbraw/zinc/29/72/34/540297234.db2.gz HKKYOIGRUXXGDV-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(O)c([N+](=O)[O-])c3)nc2c1 ZINC000048877883 540375854 /nfs/dbraw/zinc/37/58/54/540375854.db2.gz SVHMPMJBKFNAJQ-UHFFFAOYSA-N 0 2 362.367 2.094 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)cc1C ZINC000063878059 541190842 /nfs/dbraw/zinc/19/08/42/541190842.db2.gz VAJDAAONVGTQQA-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1 ZINC000066247148 541294615 /nfs/dbraw/zinc/29/46/15/541294615.db2.gz CKHPNKNEPBBSRH-UHFFFAOYSA-N 0 2 357.369 2.029 20 5 FEBDLN COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(F)F ZINC000033936311 208103606 /nfs/dbraw/zinc/10/36/06/208103606.db2.gz YGPHUDAUJMWLOL-RQOWECAXSA-N 0 2 355.253 2.164 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000105427268 543173686 /nfs/dbraw/zinc/17/36/86/543173686.db2.gz FIEJRTJWEBILRW-UHFFFAOYSA-N 0 2 358.379 2.094 20 5 FEBDLN O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130442511 544151152 /nfs/dbraw/zinc/15/11/52/544151152.db2.gz FPFVFAIPXZXJPW-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)c3ccc4c(c3)CCO4)c2c1 ZINC000135521009 544350223 /nfs/dbraw/zinc/35/02/23/544350223.db2.gz UHUGAKSZCRQHDI-UHFFFAOYSA-N 0 2 360.351 2.207 20 5 FEBDLN NC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(Cl)c1 ZINC000187760382 328044426 /nfs/dbraw/zinc/04/44/26/328044426.db2.gz LWXJLCZCQYSAQW-CYBMUJFWSA-N 0 2 363.757 2.300 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000047521904 324637242 /nfs/dbraw/zinc/63/72/42/324637242.db2.gz ITWHQRSCPRHHQO-UHFFFAOYSA-N 0 2 369.786 2.409 20 5 FEBDLN Cc1c[nH]c(=O)n1-c1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000064054148 324870780 /nfs/dbraw/zinc/87/07/80/324870780.db2.gz YZNNXCKFASCKAN-UHFFFAOYSA-N 0 2 354.322 2.340 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2ccc(F)cc21 ZINC000117978348 326075817 /nfs/dbraw/zinc/07/58/17/326075817.db2.gz PGODDBVIEBWITG-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)cc21 ZINC000119064273 326123139 /nfs/dbraw/zinc/12/31/39/326123139.db2.gz KWEKKNLRNXJSJU-UHFFFAOYSA-N 0 2 368.349 2.253 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000133638934 326612372 /nfs/dbraw/zinc/61/23/72/326612372.db2.gz MAGHNUTXUBDTQM-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166074077 327080657 /nfs/dbraw/zinc/08/06/57/327080657.db2.gz JSCLPKXSUVRJDO-UHFFFAOYSA-N 0 2 355.350 2.158 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000171343460 327133593 /nfs/dbraw/zinc/13/35/93/327133593.db2.gz FDJUDDDRZBMCCK-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN CN(Cc1[nH+]ccn1CC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000269265923 329502185 /nfs/dbraw/zinc/50/21/85/329502185.db2.gz LUORATSCQSNAAG-UHFFFAOYSA-N 0 2 358.276 2.331 20 5 FEBDLN CC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC12CCCCC2 ZINC000270896103 329642601 /nfs/dbraw/zinc/64/26/01/329642601.db2.gz QATNCTMYOSZVOE-UHFFFAOYSA-N 0 2 361.398 2.308 20 5 FEBDLN CCOC(=O)C(C)(C)n1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cn1 ZINC000273346265 329857397 /nfs/dbraw/zinc/85/73/97/329857397.db2.gz SAHZYNBFKOPSTK-UHFFFAOYSA-N 0 2 362.342 2.047 20 5 FEBDLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179433756 546953243 /nfs/dbraw/zinc/95/32/43/546953243.db2.gz BSCJKRKNWBLNAS-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000179437346 546953857 /nfs/dbraw/zinc/95/38/57/546953857.db2.gz ZFPPSCZJGAMMFG-OAHLLOKOSA-N 0 2 355.350 2.004 20 5 FEBDLN CCCc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n(C)n1 ZINC000179839483 547020075 /nfs/dbraw/zinc/02/00/75/547020075.db2.gz VRCGTFYIESYHKF-UHFFFAOYSA-N 0 2 354.388 2.090 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2F)C1 ZINC000483440493 561277154 /nfs/dbraw/zinc/27/71/54/561277154.db2.gz GUZCIBWWSIPXOJ-JTQLQIEISA-N 0 2 359.313 2.431 20 5 FEBDLN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000183907437 547737812 /nfs/dbraw/zinc/73/78/12/547737812.db2.gz AWLSHKHTFFXULO-KRWDZBQOSA-N 0 2 357.366 2.140 20 5 FEBDLN O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000183907437 547737814 /nfs/dbraw/zinc/73/78/14/547737814.db2.gz AWLSHKHTFFXULO-KRWDZBQOSA-N 0 2 357.366 2.140 20 5 FEBDLN Cc1cc(=O)c(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)c2n1CCC2 ZINC000485368793 561317600 /nfs/dbraw/zinc/31/76/00/561317600.db2.gz VIIVGOQAZWRETK-UHFFFAOYSA-N 0 2 354.322 2.434 20 5 FEBDLN CCOc1c(OC)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000486052840 561336893 /nfs/dbraw/zinc/33/68/93/561336893.db2.gz PERBOLBFVVBLOT-WAYWQWQTSA-N 0 2 363.326 2.382 20 5 FEBDLN CC(C)CN(CCC(=O)[O-])C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000236755167 548778257 /nfs/dbraw/zinc/77/82/57/548778257.db2.gz ARRDIDBRYPKHSX-UHFFFAOYSA-N 0 2 360.370 2.353 20 5 FEBDLN C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263119573 549879173 /nfs/dbraw/zinc/87/91/73/549879173.db2.gz FCBFLXIQTIGCSH-YPMHNXCESA-N 0 2 358.354 2.106 20 5 FEBDLN O=C(C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000272350206 550439973 /nfs/dbraw/zinc/43/99/73/550439973.db2.gz CHFXEQQQVBTNSO-OAHLLOKOSA-N 0 2 370.361 2.414 20 5 FEBDLN CC(C)(NC(=O)C(F)(F)F)C(=O)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000277391589 550664874 /nfs/dbraw/zinc/66/48/74/550664874.db2.gz DHXQLDSCCVNIAG-UHFFFAOYSA-N 0 2 359.304 2.331 20 5 FEBDLN CC(C)(C)OC(=O)NCCc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000277935564 550730777 /nfs/dbraw/zinc/73/07/77/550730777.db2.gz NTKUCTNGXIEZKW-UHFFFAOYSA-N 0 2 350.331 2.418 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000278359536 550777027 /nfs/dbraw/zinc/77/70/27/550777027.db2.gz JMQZWGUAWOJWCP-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccc(O)c1[N+](=O)[O-] ZINC000280954383 551048807 /nfs/dbraw/zinc/04/88/07/551048807.db2.gz MRYNONTVZVLZAW-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000291364183 552618858 /nfs/dbraw/zinc/61/88/58/552618858.db2.gz VPMQFLUQIFIUSZ-SECBINFHSA-N 0 2 350.331 2.099 20 5 FEBDLN CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000299172968 553525313 /nfs/dbraw/zinc/52/53/13/553525313.db2.gz YVPDQRMMVLYTAT-UHFFFAOYSA-N 0 2 365.386 2.430 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000324430079 553772606 /nfs/dbraw/zinc/77/26/06/553772606.db2.gz PWNZHMCPMXSPCP-UHFFFAOYSA-N 0 2 372.834 2.499 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000325534116 553776711 /nfs/dbraw/zinc/77/67/11/553776711.db2.gz ACFXRVFGOABUNY-UHFFFAOYSA-N 0 2 354.388 2.425 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1[N+](=O)[O-] ZINC000325534116 553776714 /nfs/dbraw/zinc/77/67/14/553776714.db2.gz ACFXRVFGOABUNY-UHFFFAOYSA-N 0 2 354.388 2.425 20 5 FEBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnoc2C)cc([N+](=O)[O-])c1C ZINC000507021076 561714297 /nfs/dbraw/zinc/71/42/97/561714297.db2.gz LPCSCKPZYGWTNN-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN COCc1cnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000508082219 561750601 /nfs/dbraw/zinc/75/06/01/561750601.db2.gz GAJKMKCJSFJXML-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000330725873 554163670 /nfs/dbraw/zinc/16/36/70/554163670.db2.gz ZQXXYMUSQFNTTF-GFCCVEGCSA-N 0 2 363.414 2.315 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(Cn3cc(Br)cn3)no2)cc1O ZINC000350647251 554804106 /nfs/dbraw/zinc/80/41/06/554804106.db2.gz ROMXRGTZVKVECX-UHFFFAOYSA-N 0 2 366.131 2.358 20 5 FEBDLN Cc1n[nH]c(NC(=O)[C@H]2Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]23)n1 ZINC000363385296 555091509 /nfs/dbraw/zinc/09/15/09/555091509.db2.gz XGBVNXKSOWUCLW-ZFWWWQNUSA-N 0 2 356.386 2.191 20 5 FEBDLN Cc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cnn1CC1CCOCC1 ZINC000363735482 555175030 /nfs/dbraw/zinc/17/50/30/555175030.db2.gz KEBZTRORBFAQBY-UHFFFAOYSA-N 0 2 360.370 2.484 20 5 FEBDLN Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000363827584 555194883 /nfs/dbraw/zinc/19/48/83/555194883.db2.gz MBJQOXJJBCJSTH-UHFFFAOYSA-N 0 2 357.301 2.581 20 5 FEBDLN CN1Cc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2NC1=O ZINC000364369513 555300586 /nfs/dbraw/zinc/30/05/86/555300586.db2.gz PGFGSQSXQRLNFP-UHFFFAOYSA-N 0 2 362.367 2.373 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000365374959 555557075 /nfs/dbraw/zinc/55/70/75/555557075.db2.gz CSNLFFCNUNVEIL-UHFFFAOYSA-N 0 2 356.260 2.241 20 5 FEBDLN O=C(NC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1)c1ccco1 ZINC000367274373 556005196 /nfs/dbraw/zinc/00/51/96/556005196.db2.gz LYJDRCVOAOFCPH-GFCCVEGCSA-N 0 2 373.365 2.176 20 5 FEBDLN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000367696699 556117290 /nfs/dbraw/zinc/11/72/90/556117290.db2.gz IWARUSSDLLSVBS-JTQLQIEISA-N 0 2 362.773 2.358 20 5 FEBDLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000514878915 561984822 /nfs/dbraw/zinc/98/48/22/561984822.db2.gz PHFRATQFGFQTJI-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2)n1C ZINC000368961273 556460208 /nfs/dbraw/zinc/46/02/08/556460208.db2.gz WCAZPFNFIWGQMB-INIZCTEOSA-N 0 2 367.365 2.257 20 5 FEBDLN CN(C(=O)[C@H]1CC12CCN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)CC2)C1CC1 ZINC000371418173 557180289 /nfs/dbraw/zinc/18/02/89/557180289.db2.gz MVHLYAOAFCIEJG-CQSZACIVSA-N 0 2 373.409 2.164 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCO[C@@H](COc2ccccc2)C1 ZINC000517952550 562101401 /nfs/dbraw/zinc/10/14/01/562101401.db2.gz SWFGSKLQINSHEG-OAHLLOKOSA-N 0 2 358.350 2.220 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1-c1nc[nH]n1 ZINC000373086721 557625687 /nfs/dbraw/zinc/62/56/87/557625687.db2.gz DVRAGAMMRVRPII-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(C(=O)N2CCCCC2)CC1 ZINC000378379235 558544089 /nfs/dbraw/zinc/54/40/89/558544089.db2.gz SBNMEYAAPNYOQK-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000392177187 558616078 /nfs/dbraw/zinc/61/60/78/558616078.db2.gz VRPNUNPNLKKKDP-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000421232103 559532542 /nfs/dbraw/zinc/53/25/42/559532542.db2.gz KGHPFAMBZNVMMN-CQSZACIVSA-N 0 2 365.411 2.298 20 5 FEBDLN CCn1cc(-c2nn(C)cc2C(=O)Nc2cc([N+](=O)[O-])ccc2O)cn1 ZINC000427629374 559759199 /nfs/dbraw/zinc/75/91/99/559759199.db2.gz MIIFTIJLZSKFJJ-UHFFFAOYSA-N 0 2 356.342 2.170 20 5 FEBDLN COCC(=O)N1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)ccc21 ZINC000428307604 559773255 /nfs/dbraw/zinc/77/32/55/559773255.db2.gz VPKZFHDTQIFKLV-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN COC(=O)[C@](C)(NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436830204 559953421 /nfs/dbraw/zinc/95/34/21/559953421.db2.gz CRCPPZFEWRVXKD-QGZVFWFLSA-N 0 2 362.313 2.258 20 5 FEBDLN Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3O)n2)c1 ZINC000436826734 559953466 /nfs/dbraw/zinc/95/34/66/559953466.db2.gz LRAPZBCDKTUQEU-SNVBAGLBSA-N 0 2 368.353 2.280 20 5 FEBDLN NC(=O)c1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C2CC2)c(F)c1 ZINC000436843929 559953995 /nfs/dbraw/zinc/95/39/95/559953995.db2.gz BQLHNWSDMMAOBG-UHFFFAOYSA-N 0 2 373.340 2.343 20 5 FEBDLN CN(C)C(=O)C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436967648 559957914 /nfs/dbraw/zinc/95/79/14/559957914.db2.gz QXHPWPSZYJHCSN-HNNXBMFYSA-N 0 2 357.366 2.250 20 5 FEBDLN CCOC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(O)c1 ZINC000436994047 559959075 /nfs/dbraw/zinc/95/90/75/559959075.db2.gz ABWKCWPATUAOTM-HNNXBMFYSA-N 0 2 360.322 2.040 20 5 FEBDLN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000443036058 560067031 /nfs/dbraw/zinc/06/70/31/560067031.db2.gz WHMFVLAVLMWXGH-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1 ZINC000456943999 560539531 /nfs/dbraw/zinc/53/95/31/560539531.db2.gz WWRLLRKIZCQAHZ-UHFFFAOYSA-N 0 2 361.320 2.399 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000456975342 560541641 /nfs/dbraw/zinc/54/16/41/560541641.db2.gz HMHFOMJZBGRKMV-HUUCEWRRSA-N 0 2 370.361 2.329 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000456975341 560541690 /nfs/dbraw/zinc/54/16/90/560541690.db2.gz HMHFOMJZBGRKMV-GJZGRUSLSA-N 0 2 370.361 2.329 20 5 FEBDLN COc1cccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)c1 ZINC000468863036 560940695 /nfs/dbraw/zinc/94/06/95/560940695.db2.gz GXGRLMCXCCHJDW-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN COc1ccccc1N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000468932207 560942753 /nfs/dbraw/zinc/94/27/53/560942753.db2.gz LXBQYGZHMYFGBH-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN CNC(=O)c1cc2cc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000475826464 561106356 /nfs/dbraw/zinc/10/63/56/561106356.db2.gz CJNWJFKLCUCUOQ-UHFFFAOYSA-N 0 2 374.378 2.237 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000569028482 568275812 /nfs/dbraw/zinc/27/58/12/568275812.db2.gz KXALPJSGOFPXMV-QMMMGPOBSA-N 0 2 351.750 2.092 20 5 FEBDLN CCOc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1 ZINC000737203534 599784247 /nfs/dbraw/zinc/78/42/47/599784247.db2.gz OEMZIRLMIBDXGD-KRWDZBQOSA-N 0 2 373.365 2.348 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738633169 601961656 /nfs/dbraw/zinc/96/16/56/601961656.db2.gz WRWPSSNCCXVWRG-UWVGGRQHSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738633169 601961657 /nfs/dbraw/zinc/96/16/57/601961657.db2.gz WRWPSSNCCXVWRG-UWVGGRQHSA-N 0 2 370.793 2.165 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000739585783 601968067 /nfs/dbraw/zinc/96/80/67/601968067.db2.gz DXHKZVFBDVLBPO-CYBMUJFWSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000739585783 601968068 /nfs/dbraw/zinc/96/80/68/601968068.db2.gz DXHKZVFBDVLBPO-CYBMUJFWSA-N 0 2 361.358 2.219 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739181255 602794470 /nfs/dbraw/zinc/79/44/70/602794470.db2.gz RJLNVZZAXMNKFQ-JOYOIKCWSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@H]1NC(=O)[O-] ZINC000739181255 602794471 /nfs/dbraw/zinc/79/44/71/602794471.db2.gz RJLNVZZAXMNKFQ-JOYOIKCWSA-N 0 2 370.793 2.165 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830432124 603716100 /nfs/dbraw/zinc/71/61/00/603716100.db2.gz ABCNOIJBKAVJLI-DOMZBBRYSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)[O-] ZINC000830432124 603716103 /nfs/dbraw/zinc/71/61/03/603716103.db2.gz ABCNOIJBKAVJLI-DOMZBBRYSA-N 0 2 364.402 2.210 20 5 FEBDLN C[C@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[C@H](C)[NH+]1CCOCC1 ZINC000827767463 604263276 /nfs/dbraw/zinc/26/32/76/604263276.db2.gz APNJKVFRBWNMMJ-UWVGGRQHSA-N 0 2 357.794 2.468 20 5 FEBDLN O=C([O-])[C@H](O)C1CC[NH+](Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 ZINC000833770938 604762864 /nfs/dbraw/zinc/76/28/64/604762864.db2.gz RPKLJPPZMZEQIE-CYBMUJFWSA-N 0 2 373.203 2.015 20 5 FEBDLN C[C@@H](Cc1noc(-c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)n1)N(C)C(=O)[O-] ZINC000825035608 605299683 /nfs/dbraw/zinc/29/96/83/605299683.db2.gz BXAAOTODNRGRJN-JTQLQIEISA-N 0 2 372.341 2.371 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCN1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833955587 605817152 /nfs/dbraw/zinc/81/71/52/605817152.db2.gz SBKGVKUXYMEKRK-HUUCEWRRSA-N 0 2 359.386 2.150 20 5 FEBDLN O=[N+]([O-])c1ccc(NCCc2nc3ccc(F)cc3[nH]2)c(-c2nn[nH]n2)c1 ZINC000823640015 606439417 /nfs/dbraw/zinc/43/94/17/606439417.db2.gz PIXPSCUXIWXRSE-UHFFFAOYSA-N 0 2 368.332 2.445 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000572437842 671001539 /nfs/dbraw/zinc/00/15/39/671001539.db2.gz UPCRSMOHAFKBMF-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN COCCOc1ncccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000609068403 675909799 /nfs/dbraw/zinc/90/97/99/675909799.db2.gz GICGROOUYNVDAS-UHFFFAOYSA-N 0 2 367.383 2.124 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000588817380 672484099 /nfs/dbraw/zinc/48/40/99/672484099.db2.gz HRGNLBSXQHTXFM-UHFFFAOYSA-N 0 2 351.750 2.092 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2ccc(C)c([N+](=O)[O-])c2)coc1C(=O)N(C)C ZINC000592350292 672789774 /nfs/dbraw/zinc/78/97/74/672789774.db2.gz IDNAZGDUVQBBME-UHFFFAOYSA-N 0 2 367.383 2.307 20 5 FEBDLN CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)NCc1cccs1 ZINC000592866189 672848577 /nfs/dbraw/zinc/84/85/77/672848577.db2.gz CYSXVOKDNCEYOQ-ZDUSSCGKSA-N 0 2 363.395 2.187 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCOC3)c([N+](=O)[O-])c1 ZINC000594696292 673117477 /nfs/dbraw/zinc/11/74/77/673117477.db2.gz FYDBSWDBLFNCMO-UHFFFAOYSA-N 0 2 364.379 2.477 20 5 FEBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 ZINC000614271660 676167859 /nfs/dbraw/zinc/16/78/59/676167859.db2.gz APMKXRJUTJOYFW-JTQLQIEISA-N 0 2 364.379 2.446 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)ccc1[N+](=O)[O-] ZINC000600667690 673789852 /nfs/dbraw/zinc/78/98/52/673789852.db2.gz GUQNKTXPIVSTPC-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN Cc1nnc([C@H](C)NS(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])s1 ZINC000546076330 673790552 /nfs/dbraw/zinc/79/05/52/673790552.db2.gz YKCIRZBHHRXHKW-LURJTMIESA-N 0 2 362.820 2.448 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000548450968 673959711 /nfs/dbraw/zinc/95/97/11/673959711.db2.gz UJFRUBOLUGKHAN-OLZOCXBDSA-N 0 2 352.412 2.427 20 5 FEBDLN COC(=O)c1sccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466466 676377976 /nfs/dbraw/zinc/37/79/76/676377976.db2.gz NFLRJAGOFCSANX-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1Cl ZINC000839757864 680777154 /nfs/dbraw/zinc/77/71/54/680777154.db2.gz FPYNKICZYTWAPG-VIFPVBQESA-N 0 2 365.777 2.400 20 5 FEBDLN CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000753825839 680318204 /nfs/dbraw/zinc/31/82/04/680318204.db2.gz QPAQGPVTEVUXQL-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768862364 680962108 /nfs/dbraw/zinc/96/21/08/680962108.db2.gz WCRJOHHMFAFYLA-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC000776200677 681371562 /nfs/dbraw/zinc/37/15/62/681371562.db2.gz XHGIVHPEEPSBDD-UHFFFAOYSA-N 0 2 361.295 2.466 20 5 FEBDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000788216310 682512093 /nfs/dbraw/zinc/51/20/93/682512093.db2.gz HPYIANXOKKNEFV-QMMMGPOBSA-N 0 2 358.401 2.263 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(NC(N)=O)c1 ZINC000055580798 540660606 /nfs/dbraw/zinc/66/06/06/540660606.db2.gz SQJSKLUZDCITCR-UHFFFAOYSA-N 0 2 350.356 2.195 20 5 FEBDLN O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)[C@H]1C[C@@H]1[N+](=O)[O-] ZINC000076396399 542273080 /nfs/dbraw/zinc/27/30/80/542273080.db2.gz ZMTQGDBOCRILHG-JSGCOSHPSA-N 0 2 358.423 2.305 20 5 FEBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000093930959 542946119 /nfs/dbraw/zinc/94/61/19/542946119.db2.gz OZMDIGKBVZBMBN-UHFFFAOYSA-N 0 2 354.388 2.319 20 5 FEBDLN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000115313506 543559440 /nfs/dbraw/zinc/55/94/40/543559440.db2.gz MSFZCYJDHPGXBP-JOCHJYFZSA-N 0 2 354.409 2.274 20 5 FEBDLN COCCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 ZINC000116160464 543601834 /nfs/dbraw/zinc/60/18/34/543601834.db2.gz CKSIRHRODQHXQC-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN Cc1c(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cccc1[N+](=O)[O-] ZINC000119479309 543668169 /nfs/dbraw/zinc/66/81/69/543668169.db2.gz CAPOHGXAOKLFFR-UHFFFAOYSA-N 0 2 354.322 2.428 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000131615004 544198442 /nfs/dbraw/zinc/19/84/42/544198442.db2.gz IGPVPYWHMZRMIT-ZDUSSCGKSA-N 0 2 360.395 2.058 20 5 FEBDLN O=C(N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc([N+](=O)[O-])ccc1O ZINC000182100670 327761070 /nfs/dbraw/zinc/76/10/70/327761070.db2.gz ZATRUIKMXSZYKM-SNVBAGLBSA-N 0 2 362.773 2.358 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000187962434 328056921 /nfs/dbraw/zinc/05/69/21/328056921.db2.gz JSGXNTUSDBAQBX-LLVKDONJSA-N 0 2 354.388 2.108 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 ZINC000187973378 328057507 /nfs/dbraw/zinc/05/75/07/328057507.db2.gz DQDHRTUDKQJYGF-LBPRGKRZSA-N 0 2 368.415 2.416 20 5 FEBDLN CCN(Cc1ccccc1)C(=O)CNC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063810386 324867825 /nfs/dbraw/zinc/86/78/25/324867825.db2.gz ZNEDLJCJWDNKLP-UHFFFAOYSA-N 0 2 357.366 2.079 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3oc(=O)n(C)c3c2)cc1[N+](=O)[O-] ZINC000119106180 326127583 /nfs/dbraw/zinc/12/75/83/326127583.db2.gz AXEIKMAFOAXHMR-UHFFFAOYSA-N 0 2 369.380 2.210 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000133805099 326615136 /nfs/dbraw/zinc/61/51/36/326615136.db2.gz JJAZUXBCGYOKDS-ZDUSSCGKSA-N 0 2 367.365 2.363 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000159344162 326928061 /nfs/dbraw/zinc/92/80/61/326928061.db2.gz RMUGWJBXMCHXBS-OLZOCXBDSA-N 0 2 363.414 2.457 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1C ZINC000161548239 327002422 /nfs/dbraw/zinc/00/24/22/327002422.db2.gz SNXUMSRWPALWQU-UHFFFAOYSA-N 0 2 363.351 2.447 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)c1C ZINC000162777035 327034360 /nfs/dbraw/zinc/03/43/60/327034360.db2.gz YAAYMCVORJHKNK-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166148157 327080599 /nfs/dbraw/zinc/08/05/99/327080599.db2.gz RUFAYLCAYIMCGU-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN O=C(NCCc1ccc([N+](=O)[O-])cc1)C1=NN(c2ccccc2)CC1=O ZINC000175621754 327402785 /nfs/dbraw/zinc/40/27/85/327402785.db2.gz UUTDXIBHBIKJLL-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CCn1nc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C1CC1 ZINC000267483798 329332102 /nfs/dbraw/zinc/33/21/02/329332102.db2.gz UVQMVZBHPBSNPS-UHFFFAOYSA-N 0 2 366.399 2.498 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2-n2ccnn2)c([N+](=O)[O-])c1 ZINC000158641965 545880650 /nfs/dbraw/zinc/88/06/50/545880650.db2.gz ASBBBVNVLXWWSS-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000181361852 547300352 /nfs/dbraw/zinc/30/03/52/547300352.db2.gz GOHNVPIYVQWLND-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN C[C@H](c1nccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000185694260 548021217 /nfs/dbraw/zinc/02/12/17/548021217.db2.gz ZLNKWNINFZXVIY-LLVKDONJSA-N 0 2 362.411 2.276 20 5 FEBDLN NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000246435953 549132512 /nfs/dbraw/zinc/13/25/12/549132512.db2.gz CUOKRCGSVSUBMZ-WMLDXEAASA-N 0 2 358.442 2.142 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)cc1[N+](=O)[O-] ZINC000278110255 550750253 /nfs/dbraw/zinc/75/02/53/550750253.db2.gz ACYQURMUGZHWEQ-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(OCCCO)cc1 ZINC000285037010 551694417 /nfs/dbraw/zinc/69/44/17/551694417.db2.gz JJVRGLHOYQICPX-UHFFFAOYSA-N 0 2 366.395 2.465 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCC(F)(F)Br ZINC000288565883 552176242 /nfs/dbraw/zinc/17/62/42/552176242.db2.gz KDPIDZAYIHCRJK-UHFFFAOYSA-N 0 2 359.148 2.002 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000295340272 552990692 /nfs/dbraw/zinc/99/06/92/552990692.db2.gz NASZFUGGWOZRTI-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN Cc1cc(NCCNC(=O)c2cc([O-])ccc2[N+](=O)[O-])nc(C(C)C)[nH+]1 ZINC000600367211 553257265 /nfs/dbraw/zinc/25/72/65/553257265.db2.gz PWCFHFRFHXELMW-UHFFFAOYSA-N 0 2 359.386 2.364 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])ccc1C(N)=O ZINC000504967081 561664845 /nfs/dbraw/zinc/66/48/45/561664845.db2.gz JWSGWTIUUMNSTF-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN CCOC(=O)COc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000505361913 561670000 /nfs/dbraw/zinc/67/00/00/561670000.db2.gz IRDYUOVVBZTNIC-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3)c([N+](=O)[O-])c1 ZINC000507027498 561714555 /nfs/dbraw/zinc/71/45/55/561714555.db2.gz UWTHLQHXDSVSRA-UHFFFAOYSA-N 0 2 350.352 2.434 20 5 FEBDLN O=C(NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000508142267 561753253 /nfs/dbraw/zinc/75/32/53/561753253.db2.gz MPNITOXRYWRRFX-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN Cn1cc(-c2ncccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1 ZINC000364889650 555426733 /nfs/dbraw/zinc/42/67/33/555426733.db2.gz CTNZXDGGYNWQKG-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN O=C(CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)Nc1cccc2cccnc21 ZINC000512550903 561909056 /nfs/dbraw/zinc/90/90/56/561909056.db2.gz OHVCFQKRTKSTMX-UHFFFAOYSA-N 0 2 366.333 2.217 20 5 FEBDLN Cc1n[nH]c(C2CC[NH+]([C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365108037 555486861 /nfs/dbraw/zinc/48/68/61/555486861.db2.gz AKDGYYAWDUCBNV-LLVKDONJSA-N 0 2 358.402 2.228 20 5 FEBDLN O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365424426 555571849 /nfs/dbraw/zinc/57/18/49/555571849.db2.gz XXUZRACPYAWQHW-UHFFFAOYSA-N 0 2 366.761 2.148 20 5 FEBDLN Cc1c(NC(=O)c2cccc(O)c2[N+](=O)[O-])cccc1N1CN=NC1=O ZINC000366316786 555810159 /nfs/dbraw/zinc/81/01/59/555810159.db2.gz TTWRAOCHDRSCDG-UHFFFAOYSA-N 0 2 355.310 2.147 20 5 FEBDLN COc1ccccc1C[NH+]1CCN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC000515655131 562018602 /nfs/dbraw/zinc/01/86/02/562018602.db2.gz FBBQWGMJDYRVPQ-UHFFFAOYSA-N 0 2 372.381 2.019 20 5 FEBDLN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000517021124 562071821 /nfs/dbraw/zinc/07/18/21/562071821.db2.gz JYSCMWCLDNJTKC-DOMZBBRYSA-N 0 2 372.377 2.451 20 5 FEBDLN O=C(NC1CC[NH+](Cc2cscn2)CC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000371821957 557303134 /nfs/dbraw/zinc/30/31/34/557303134.db2.gz FVLVARSRTFHGKI-UHFFFAOYSA-N 0 2 362.411 2.151 20 5 FEBDLN O=C(Nc1cccnc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000372320159 557438468 /nfs/dbraw/zinc/43/84/68/557438468.db2.gz KTVSTKCKBMPICW-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000520913212 562166114 /nfs/dbraw/zinc/16/61/14/562166114.db2.gz GYROSJDZXMAUAT-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN COc1ccccc1[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)CCN1 ZINC000374373760 557873976 /nfs/dbraw/zinc/87/39/76/557873976.db2.gz UAMFAEQFIBQVCE-HNNXBMFYSA-N 0 2 357.366 2.096 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000378563966 558584260 /nfs/dbraw/zinc/58/42/60/558584260.db2.gz YNHMLCUCBMBMTJ-CQSZACIVSA-N 0 2 371.349 2.249 20 5 FEBDLN CCCc1[nH]nc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1[N+](=O)[O-] ZINC000525964129 562261325 /nfs/dbraw/zinc/26/13/25/562261325.db2.gz GVDYONGEFRPRSM-UHFFFAOYSA-N 0 2 358.314 2.278 20 5 FEBDLN CCOC(=O)CC1(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000414380757 559160054 /nfs/dbraw/zinc/16/00/54/559160054.db2.gz HFFOANFIAMPAAH-UHFFFAOYSA-N 0 2 372.399 2.221 20 5 FEBDLN COc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(Cl)cc1C(N)=O ZINC000436732944 559950380 /nfs/dbraw/zinc/95/03/80/559950380.db2.gz VJLSOSQJCUDNFN-UHFFFAOYSA-N 0 2 365.729 2.314 20 5 FEBDLN CN(CCn1cc(Br)cn1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436785001 559951966 /nfs/dbraw/zinc/95/19/66/559951966.db2.gz NMCTVJPELRTKNI-UHFFFAOYSA-N 0 2 369.175 2.032 20 5 FEBDLN O=C(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436870652 559954827 /nfs/dbraw/zinc/95/48/27/559954827.db2.gz QSJVNYHVCUBGDG-QAPCUYQASA-N 0 2 360.341 2.336 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000436903942 559955984 /nfs/dbraw/zinc/95/59/84/559955984.db2.gz XSSLSXLBDHUMPT-CQSZACIVSA-N 0 2 362.313 2.126 20 5 FEBDLN CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000436904399 559956096 /nfs/dbraw/zinc/95/60/96/559956096.db2.gz PZGBHHOLGRFKLR-GFCCVEGCSA-N 0 2 362.342 2.021 20 5 FEBDLN CNC(=O)CCOc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436958822 559957455 /nfs/dbraw/zinc/95/74/55/559957455.db2.gz DDGUJLLAFBPCJL-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1S(C)(=O)=O ZINC000436971607 559957790 /nfs/dbraw/zinc/95/77/90/559957790.db2.gz KHOSPRHZWSUFPZ-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000438373397 559978152 /nfs/dbraw/zinc/97/81/52/559978152.db2.gz CXSKETQBAABTNK-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C(=O)N1CCC(C(F)(F)F)CC1 ZINC000444333207 560109880 /nfs/dbraw/zinc/10/98/80/560109880.db2.gz WDMQHEHAZQDKMV-UHFFFAOYSA-N 0 2 361.276 2.040 20 5 FEBDLN O=[N+]([O-])c1ccc([C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 ZINC000451851846 560332399 /nfs/dbraw/zinc/33/23/99/560332399.db2.gz NCICRCLZPUNUOC-NSHDSACASA-N 0 2 367.349 2.171 20 5 FEBDLN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])C1 ZINC000456640060 560526873 /nfs/dbraw/zinc/52/68/73/560526873.db2.gz GGQUJTLGMYWXIR-SNVBAGLBSA-N 0 2 361.320 2.257 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)cn1 ZINC000463441180 560814719 /nfs/dbraw/zinc/81/47/19/560814719.db2.gz BOBYCIWDKUBCDD-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)cn1 ZINC000463529743 560817954 /nfs/dbraw/zinc/81/79/54/560817954.db2.gz ZUQGIWBROQKRSF-UHFFFAOYSA-N 0 2 360.351 2.347 20 5 FEBDLN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466977399 560900764 /nfs/dbraw/zinc/90/07/64/560900764.db2.gz PTUOUPTZQMLVJY-UHFFFAOYSA-N 0 2 369.424 2.434 20 5 FEBDLN Cc1cc(=NC(=O)N2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)[nH]nc1C ZINC000467475057 560910752 /nfs/dbraw/zinc/91/07/52/560910752.db2.gz KXHBTGDQZMESGX-UHFFFAOYSA-N 0 2 371.397 3.077 20 5 FEBDLN O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469699345 560961845 /nfs/dbraw/zinc/96/18/45/560961845.db2.gz FJASQGMVUIPZSC-UHFFFAOYSA-N 0 2 356.338 2.472 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(CC(C)C)n[nH]1 ZINC000472427831 561026173 /nfs/dbraw/zinc/02/61/73/561026173.db2.gz DLNZUVADHRRDEA-UHFFFAOYSA-N 0 2 354.388 2.326 20 5 FEBDLN O=C(CNC(=O)N1CCc2ccccc2C1)Nc1cc([N+](=O)[O-])ccc1O ZINC000534803051 562542719 /nfs/dbraw/zinc/54/27/19/562542719.db2.gz MSPNADDVDSBWCW-UHFFFAOYSA-N 0 2 370.365 2.007 20 5 FEBDLN O=C([O-])c1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000540671400 562590859 /nfs/dbraw/zinc/59/08/59/562590859.db2.gz ZNRGEBGBTKXMHI-UHFFFAOYSA-N 0 2 366.333 2.409 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000541290814 562608193 /nfs/dbraw/zinc/60/81/93/562608193.db2.gz OQCFCGZOXNPAOP-UHFFFAOYSA-N 0 2 353.404 2.305 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000542016768 562625656 /nfs/dbraw/zinc/62/56/56/562625656.db2.gz PBMWGTPHDCXOCP-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN Cc1cc(N2CCN(c3cc[nH+]c(C)n3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568869357 568238656 /nfs/dbraw/zinc/23/86/56/568238656.db2.gz YGBCGZSGWUOXSZ-UHFFFAOYSA-N 0 2 357.370 2.026 20 5 FEBDLN CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000569930353 568437855 /nfs/dbraw/zinc/43/78/55/568437855.db2.gz JSFMETCOYGZJAO-ZDUSSCGKSA-N 0 2 373.413 2.393 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1COC2=O ZINC000808128288 674443290 /nfs/dbraw/zinc/44/32/90/674443290.db2.gz NIUKBSSSNORNSY-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN CC(C)C[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000262204080 600916482 /nfs/dbraw/zinc/91/64/82/600916482.db2.gz RDMYBWUTMADZSK-CYBMUJFWSA-N 0 2 360.370 2.257 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738633171 601961125 /nfs/dbraw/zinc/96/11/25/601961125.db2.gz WRWPSSNCCXVWRG-VHSXEESVSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738633171 601961129 /nfs/dbraw/zinc/96/11/29/601961129.db2.gz WRWPSSNCCXVWRG-VHSXEESVSA-N 0 2 370.793 2.165 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740153325 602266296 /nfs/dbraw/zinc/26/62/96/602266296.db2.gz QXOKLHYGXWMPGO-DOMZBBRYSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)[O-] ZINC000740153325 602266298 /nfs/dbraw/zinc/26/62/98/602266298.db2.gz QXOKLHYGXWMPGO-DOMZBBRYSA-N 0 2 364.402 2.352 20 5 FEBDLN O=C([O-])Nc1ccc(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)cn1 ZINC000834259549 605535808 /nfs/dbraw/zinc/53/58/08/605535808.db2.gz CRTXWPOZAMSYPA-UHFFFAOYSA-N 0 2 357.370 2.402 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@H](NC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833956188 605817291 /nfs/dbraw/zinc/81/72/91/605817291.db2.gz XUEBBSOIKQQRCQ-LSDHHAIUSA-N 0 2 359.386 2.054 20 5 FEBDLN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000565697078 675143760 /nfs/dbraw/zinc/14/37/60/675143760.db2.gz USQKYUDHIVPTQF-NSHDSACASA-N 0 2 358.416 2.480 20 5 FEBDLN O=C(NC[C@@H](CO)c1ccc(Cl)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000588786160 672481260 /nfs/dbraw/zinc/48/12/60/672481260.db2.gz CGNLMRCIJGFJIA-NSHDSACASA-N 0 2 350.758 2.460 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)s1 ZINC000594488710 673091681 /nfs/dbraw/zinc/09/16/81/673091681.db2.gz UUDORXVRHTYXKP-HTQZYQBOSA-N 0 2 374.362 2.435 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCOC2 ZINC000594697434 673118175 /nfs/dbraw/zinc/11/81/75/673118175.db2.gz XBIPVWCYLJYIRO-UHFFFAOYSA-N 0 2 364.379 2.477 20 5 FEBDLN Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000734848472 673474602 /nfs/dbraw/zinc/47/46/02/673474602.db2.gz OSGQZSRHSMUARH-ZDUSSCGKSA-N 0 2 366.374 2.188 20 5 FEBDLN O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000542518623 673588180 /nfs/dbraw/zinc/58/81/80/673588180.db2.gz XVQSVMFWUNFBBD-UHFFFAOYSA-N 0 2 359.363 2.378 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)c(OC)n1 ZINC000598714190 673602296 /nfs/dbraw/zinc/60/22/96/673602296.db2.gz QZHCOZWZHXRPAI-UHFFFAOYSA-N 0 2 367.383 2.425 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c(C)o1 ZINC000542930670 673615943 /nfs/dbraw/zinc/61/59/43/673615943.db2.gz SOXFHNRAQZTMIV-UHFFFAOYSA-N 0 2 370.339 2.092 20 5 FEBDLN O=C1CCc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3)c(F)cc2N1 ZINC000542931527 673615978 /nfs/dbraw/zinc/61/59/78/673615978.db2.gz DMOITWJVPMEUPZ-UHFFFAOYSA-N 0 2 365.342 2.419 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1OCCO ZINC000542983191 673619216 /nfs/dbraw/zinc/61/92/16/673619216.db2.gz PPQRRNVATSSIPF-UHFFFAOYSA-N 0 2 352.368 2.075 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1OC ZINC000619466278 676377989 /nfs/dbraw/zinc/37/79/89/676377989.db2.gz HKSDAPNLRNTINP-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839841221 680782589 /nfs/dbraw/zinc/78/25/89/680782589.db2.gz LJLNHKFADHTOKH-NXEZZACHSA-N 0 2 354.775 2.374 20 5 FEBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1n[nH]c(=S)o1 ZINC000841422190 680880003 /nfs/dbraw/zinc/88/00/03/680880003.db2.gz APYAWPADQMPXSQ-LLVKDONJSA-N 0 2 350.400 2.194 20 5 FEBDLN O=C(NCCc1n[nH]c(=S)o1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000841426091 680880532 /nfs/dbraw/zinc/88/05/32/680880532.db2.gz GXUUMGWIJZDJGP-UHFFFAOYSA-N 0 2 362.289 2.258 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(C)s2)cc1[N+](=O)[O-] ZINC000777645269 681516545 /nfs/dbraw/zinc/51/65/45/681516545.db2.gz PREFVTGZEYAKKO-UHFFFAOYSA-N 0 2 372.384 2.339 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc2c(cc1C)OCO2 ZINC000781113470 681902935 /nfs/dbraw/zinc/90/29/35/681902935.db2.gz BZWUBNNVRIRASS-UHFFFAOYSA-N 0 2 366.351 2.441 20 5 FEBDLN CCC[N@@H+]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820920 682147715 /nfs/dbraw/zinc/14/77/15/682147715.db2.gz KUVQJEGMGXSSHZ-VIFPVBQESA-N 0 2 365.814 2.150 20 5 FEBDLN CCC[N@H+]1CC[C@H]([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)C1 ZINC000851820920 682147716 /nfs/dbraw/zinc/14/77/16/682147716.db2.gz KUVQJEGMGXSSHZ-VIFPVBQESA-N 0 2 365.814 2.150 20 5 FEBDLN CCOC(=O)N[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC000788281978 682516839 /nfs/dbraw/zinc/51/68/39/682516839.db2.gz OPFHBPUODNMRTC-NSHDSACASA-N 0 2 353.375 2.191 20 5 FEBDLN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000788304049 682519133 /nfs/dbraw/zinc/51/91/33/682519133.db2.gz YJIJFMINGZJELV-JTQLQIEISA-N 0 2 351.359 2.040 20 5 FEBDLN O=[N+]([O-])c1ccc[nH]c1=NNS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000790069570 682654123 /nfs/dbraw/zinc/65/41/23/682654123.db2.gz VHRPODNMJBDKRW-UHFFFAOYSA-N 0 2 364.717 2.227 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)n1 ZINC000921297672 683414998 /nfs/dbraw/zinc/41/49/98/683414998.db2.gz OUSNYTXRVPBVIY-UHFFFAOYSA-N 0 2 373.774 2.461 20 5 FEBDLN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2cncc(F)c2)c(C)c1[N+](=O)[O-] ZINC000799185355 683435075 /nfs/dbraw/zinc/43/50/75/683435075.db2.gz AGHYKDUOVYGQMG-UHFFFAOYSA-N 0 2 370.318 2.455 20 5 FEBDLN Cc1nc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)cs1 ZINC000031260758 539903428 /nfs/dbraw/zinc/90/34/28/539903428.db2.gz MHPLSQXHPFKUHZ-UHFFFAOYSA-N 0 2 362.411 2.023 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000055545958 540658130 /nfs/dbraw/zinc/65/81/30/540658130.db2.gz SVUUXYNQHOPKCL-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(NC(N)=O)cc1 ZINC000055580552 540660462 /nfs/dbraw/zinc/66/04/62/540660462.db2.gz NBMRTMPBNRHKMW-UHFFFAOYSA-N 0 2 350.356 2.195 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000055630693 540665488 /nfs/dbraw/zinc/66/54/88/540665488.db2.gz OKDCNLXIEZBOJL-AWEZNQCLSA-N 0 2 366.399 2.080 20 5 FEBDLN Cc1occc1C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000067178706 541429524 /nfs/dbraw/zinc/42/95/24/541429524.db2.gz RMZNMKUZVBDEIX-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN CO[C@@H](C)COC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386941 674125140 /nfs/dbraw/zinc/12/51/40/674125140.db2.gz PYNBTYSSEYSLPZ-QMMMGPOBSA-N 0 2 355.734 2.331 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnc2N(C)C)cc1C ZINC000105565632 543176819 /nfs/dbraw/zinc/17/68/19/543176819.db2.gz DNTGINHHLMEVTD-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1cc(-c2cccnc2)n[nH]1 ZINC000154104048 544865098 /nfs/dbraw/zinc/86/50/98/544865098.db2.gz DDKSBSCXOYARNL-UHFFFAOYSA-N 0 2 373.394 2.364 20 5 FEBDLN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000182164486 327763604 /nfs/dbraw/zinc/76/36/04/327763604.db2.gz UNLMGCPISNWCQR-AWEZNQCLSA-N 0 2 369.377 2.079 20 5 FEBDLN O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000185412527 327915040 /nfs/dbraw/zinc/91/50/40/327915040.db2.gz MQZGWNAYIWYTDI-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN Cc1ccc(CN2CC[C@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000192292207 328311611 /nfs/dbraw/zinc/31/16/11/328311611.db2.gz RLXRJKDYULIYCJ-INIZCTEOSA-N 0 2 369.377 2.140 20 5 FEBDLN CNC(=O)Cn1ccc2ccc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)cc21 ZINC000174113106 327307070 /nfs/dbraw/zinc/30/70/70/327307070.db2.gz RYIMVDRHSYKUEX-UHFFFAOYSA-N 0 2 368.349 2.253 20 5 FEBDLN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000157615351 545762030 /nfs/dbraw/zinc/76/20/30/545762030.db2.gz DWUQEXZIAOPOKB-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000478553887 561169456 /nfs/dbraw/zinc/16/94/56/561169456.db2.gz VMFANNVGROXDBV-UHFFFAOYSA-N 0 2 354.326 2.092 20 5 FEBDLN CC(C)CCSc1ccc(C(=O)NCc2n[nH]c(=O)[nH]2)cc1[N+](=O)[O-] ZINC000480490044 561210355 /nfs/dbraw/zinc/21/03/55/561210355.db2.gz FRKYJTHYNWGMTN-UHFFFAOYSA-N 0 2 365.415 2.487 20 5 FEBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000481917868 561245487 /nfs/dbraw/zinc/24/54/87/561245487.db2.gz HZICRLAHIRBQTK-UHFFFAOYSA-N 0 2 350.352 2.346 20 5 FEBDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000493250063 561455190 /nfs/dbraw/zinc/45/51/90/561455190.db2.gz CUSDUJHSRYRQTM-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN CC(C)COC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000273227310 550490536 /nfs/dbraw/zinc/49/05/36/550490536.db2.gz NYFLOUPCHBMDTF-UHFFFAOYSA-N 0 2 365.386 2.241 20 5 FEBDLN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274740915 550551352 /nfs/dbraw/zinc/55/13/52/550551352.db2.gz FOCUBRXZSBHSRA-NSHDSACASA-N 0 2 350.371 2.494 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c(Cl)c1 ZINC000278392095 550780587 /nfs/dbraw/zinc/78/05/87/550780587.db2.gz MYPYIOVIBAZEAE-SECBINFHSA-N 0 2 374.762 2.284 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C(C)C)nc2)c([N+](=O)[O-])c1 ZINC000279912109 550942282 /nfs/dbraw/zinc/94/22/82/550942282.db2.gz SDGWQOWZHVPTEY-UHFFFAOYSA-N 0 2 352.372 2.318 20 5 FEBDLN CN(C(=O)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1)c1ccccc1 ZINC000281847291 551147931 /nfs/dbraw/zinc/14/79/31/551147931.db2.gz PUMHBUHKYCPCCE-ZDUSSCGKSA-N 0 2 369.377 2.426 20 5 FEBDLN CN(C)C(=O)Nc1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000498878469 561536641 /nfs/dbraw/zinc/53/66/41/561536641.db2.gz AQEKRTHFZRFOQW-UHFFFAOYSA-N 0 2 358.354 2.324 20 5 FEBDLN CCOc1c(OC)cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000287248261 551981050 /nfs/dbraw/zinc/98/10/50/551981050.db2.gz PERBOLBFVVBLOT-AATRIKPKSA-N 0 2 363.326 2.382 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(Cc2ccc([N+](=O)[O-])cn2)no1 ZINC000290212152 552443292 /nfs/dbraw/zinc/44/32/92/552443292.db2.gz YRIONJXKUDDFPJ-NSHDSACASA-N 0 2 373.291 2.339 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000290581175 552501780 /nfs/dbraw/zinc/50/17/80/552501780.db2.gz VTLDUNLGNQIHPF-UHFFFAOYSA-N 0 2 360.342 2.420 20 5 FEBDLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000293752140 552852987 /nfs/dbraw/zinc/85/29/87/552852987.db2.gz SNVSUMJSEDDGCO-TXEJJXNPSA-N 0 2 363.414 2.408 20 5 FEBDLN Cc1c(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)nnn1C(C)C ZINC000295382611 552996955 /nfs/dbraw/zinc/99/69/55/552996955.db2.gz XTGBFLWJFJLQOX-UHFFFAOYSA-N 0 2 356.346 2.113 20 5 FEBDLN Cn1cc(Br)c(=O)c(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000504868417 561663328 /nfs/dbraw/zinc/66/33/28/561663328.db2.gz ZTIVBXNCBVUAQO-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc2c(c1)NC(=O)CO2 ZINC000505355277 561670020 /nfs/dbraw/zinc/67/00/20/561670020.db2.gz GMXXAUJYRXNACQ-VIFPVBQESA-N 0 2 357.322 2.122 20 5 FEBDLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505617117 561675485 /nfs/dbraw/zinc/67/54/85/561675485.db2.gz YQUGFHQPUYEOEX-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CNC(=O)Nc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000507619303 561735443 /nfs/dbraw/zinc/73/54/43/561735443.db2.gz GDNKFFKEPHDWMB-UHFFFAOYSA-N 0 2 368.346 2.286 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCCN(c2ncccc2F)CC1 ZINC000364769720 555397530 /nfs/dbraw/zinc/39/75/30/555397530.db2.gz KUJXWKNXMJCNRZ-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN COc1ccc2c(c1)[C@@](O)(CNC(=O)c1cc(O)ccc1[N+](=O)[O-])CCC2 ZINC000367549363 556079830 /nfs/dbraw/zinc/07/98/30/556079830.db2.gz GMWHBBKJXOHURL-IBGZPJMESA-N 0 2 372.377 2.263 20 5 FEBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cccc1N1CN=NC1=O ZINC000368246635 556257776 /nfs/dbraw/zinc/25/77/76/556257776.db2.gz VPDPAVVDVSJDJN-UHFFFAOYSA-N 0 2 355.310 2.147 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(C)c1-c1ccccn1 ZINC000368444800 556311201 /nfs/dbraw/zinc/31/12/01/556311201.db2.gz DTNPHCAUVHPCRU-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cn1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(-c2ccccn2)n1 ZINC000371213034 557108955 /nfs/dbraw/zinc/10/89/55/557108955.db2.gz PSQLDQWOJWHMPK-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN Cn1cc(-c2ncccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000372734198 557549629 /nfs/dbraw/zinc/54/96/29/557549629.db2.gz AXAHNPVGMLXBPF-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000374928893 557952632 /nfs/dbraw/zinc/95/26/32/557952632.db2.gz KFDOCWUHAHCVLU-UHFFFAOYSA-N 0 2 365.386 2.383 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000375481278 558035205 /nfs/dbraw/zinc/03/52/05/558035205.db2.gz FMJSTQJPKZWJEA-UHFFFAOYSA-N 0 2 359.294 2.112 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375579303 558051878 /nfs/dbraw/zinc/05/18/78/558051878.db2.gz UWYNYCRGQQNEEZ-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN O=C(NC1CC(O)(Cc2cccc(F)c2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000376063526 558121519 /nfs/dbraw/zinc/12/15/19/558121519.db2.gz BJWTUYYSEGNFRR-UHFFFAOYSA-N 0 2 360.341 2.306 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000376097583 558126845 /nfs/dbraw/zinc/12/68/45/558126845.db2.gz ZMXXBCOOBDKSAJ-SFHVURJKSA-N 0 2 353.334 2.036 20 5 FEBDLN CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000377733994 558408074 /nfs/dbraw/zinc/40/80/74/558408074.db2.gz DTCJOUUSKSIAKG-ZIAGYGMSSA-N 0 2 361.398 2.306 20 5 FEBDLN COc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)[nH]c2cc1OC ZINC000524292363 562226646 /nfs/dbraw/zinc/22/66/46/562226646.db2.gz HEJMEVYQZLOPHW-UHFFFAOYSA-N 0 2 358.310 2.446 20 5 FEBDLN CCOc1cc(N2CCN(c3cccc(C(=O)[O-])[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000416413322 559311199 /nfs/dbraw/zinc/31/11/99/559311199.db2.gz CCSQYSPNCNMHFU-UHFFFAOYSA-N 0 2 372.381 2.413 20 5 FEBDLN COc1ccc(-c2nnc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)[nH]2)cc1 ZINC000428040798 559768255 /nfs/dbraw/zinc/76/82/55/559768255.db2.gz XXIVZGDJTJUVMF-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)n2)cc1 ZINC000428040798 559768256 /nfs/dbraw/zinc/76/82/56/559768256.db2.gz XXIVZGDJTJUVMF-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN COc1ccc(-c2nc(CNC(=O)c3cc(O)cc([N+](=O)[O-])c3)n[nH]2)cc1 ZINC000428040798 559768257 /nfs/dbraw/zinc/76/82/57/559768257.db2.gz XXIVZGDJTJUVMF-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000430114691 559813438 /nfs/dbraw/zinc/81/34/38/559813438.db2.gz DOAYPZGQYZTPJL-KBXCAEBGSA-N 0 2 360.341 2.336 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(F)c(-c2nnc[nH]2)c1 ZINC000436479796 559942532 /nfs/dbraw/zinc/94/25/32/559942532.db2.gz VMUPXUWPRNEZLL-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000436666303 559948298 /nfs/dbraw/zinc/94/82/98/559948298.db2.gz QJXLTQWCVSBRON-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN Cn1[nH]c(=O)c2c1nc(C1CC1)cc2C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436703691 559949481 /nfs/dbraw/zinc/94/94/81/559949481.db2.gz MOSSHNULNXLQAD-UHFFFAOYSA-N 0 2 369.337 2.417 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ncc(Br)cn1 ZINC000436710551 559949593 /nfs/dbraw/zinc/94/95/93/559949593.db2.gz VWJSHEHUZUKLPP-ZETCQYMHSA-N 0 2 367.159 2.344 20 5 FEBDLN COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436714311 559949803 /nfs/dbraw/zinc/94/98/03/559949803.db2.gz HVLWFDSQVVXFCY-DOMZBBRYSA-N 0 2 372.377 2.451 20 5 FEBDLN COC(=O)COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436900584 559955907 /nfs/dbraw/zinc/95/59/07/559955907.db2.gz CUDVDEPCZBRFKY-UHFFFAOYSA-N 0 2 360.322 2.129 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)nnc1-c1ccccc1 ZINC000436936420 559956835 /nfs/dbraw/zinc/95/68/35/559956835.db2.gz FOWUVJWIZRUVHB-UHFFFAOYSA-N 0 2 367.365 2.068 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(OCC(=O)N(C)C)c1 ZINC000436958054 559957436 /nfs/dbraw/zinc/95/74/36/559957436.db2.gz CWRXDVJOSDUSKE-UHFFFAOYSA-N 0 2 373.365 2.328 20 5 FEBDLN CCOC(=O)[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436970383 559957890 /nfs/dbraw/zinc/95/78/90/559957890.db2.gz DGGCSDJYUGQXIF-HNNXBMFYSA-N 0 2 358.350 2.377 20 5 FEBDLN COC(=O)c1cccc2[nH]c(NC(=O)c3ccc([N+](=O)[O-])cc3O)nc21 ZINC000437007073 559959328 /nfs/dbraw/zinc/95/93/28/559959328.db2.gz YZDGMOYSNMFUBV-UHFFFAOYSA-N 0 2 356.294 2.216 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000442319275 560049157 /nfs/dbraw/zinc/04/91/57/560049157.db2.gz CLYDMMWJCASCFP-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000443042897 560067533 /nfs/dbraw/zinc/06/75/33/560067533.db2.gz ZLPDDENOYVZBLY-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000443159790 560073091 /nfs/dbraw/zinc/07/30/91/560073091.db2.gz VKVDGVHWQKEDQB-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1cnn(C)c1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000451094452 560286642 /nfs/dbraw/zinc/28/66/42/560286642.db2.gz HSMVCKWIFHOUFX-UHFFFAOYSA-N 0 2 353.404 2.258 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccnc1NC(C)=O ZINC000466961976 560900523 /nfs/dbraw/zinc/90/05/23/560900523.db2.gz RRMFPIWMHXQTDF-UHFFFAOYSA-N 0 2 364.383 2.311 20 5 FEBDLN COc1cc2c(cc1NC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)CC2 ZINC000468656493 560935244 /nfs/dbraw/zinc/93/52/44/560935244.db2.gz WROZRXCEWRXDRV-UHFFFAOYSA-N 0 2 357.322 2.446 20 5 FEBDLN COC(=O)c1ccsc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000476140322 561111928 /nfs/dbraw/zinc/11/19/28/561111928.db2.gz GBFGBBAVTVWNNY-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593745891 601017565 /nfs/dbraw/zinc/01/75/65/601017565.db2.gz CIJXLYVDYYGSOL-GFCCVEGCSA-N 0 2 364.383 2.037 20 5 FEBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000593745891 601017568 /nfs/dbraw/zinc/01/75/68/601017568.db2.gz CIJXLYVDYYGSOL-GFCCVEGCSA-N 0 2 364.383 2.037 20 5 FEBDLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833222347 601021054 /nfs/dbraw/zinc/02/10/54/601021054.db2.gz WXUHAMRQACRFCU-SNVBAGLBSA-N 0 2 373.818 2.079 20 5 FEBDLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833222347 601021057 /nfs/dbraw/zinc/02/10/57/601021057.db2.gz WXUHAMRQACRFCU-SNVBAGLBSA-N 0 2 373.818 2.079 20 5 FEBDLN Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047859 601973517 /nfs/dbraw/zinc/97/35/17/601973517.db2.gz WVTLLJLNILBOIC-CHWSQXEVSA-N 0 2 364.402 2.304 20 5 FEBDLN Cc1c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)cccc1[N+](=O)[O-] ZINC000740047859 601973519 /nfs/dbraw/zinc/97/35/19/601973519.db2.gz WVTLLJLNILBOIC-CHWSQXEVSA-N 0 2 364.402 2.304 20 5 FEBDLN O=C([O-])NC[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740623050 602046512 /nfs/dbraw/zinc/04/65/12/602046512.db2.gz KPLSGJYVGJGQIR-ZDUSSCGKSA-N 0 2 361.358 2.267 20 5 FEBDLN O=C([O-])NC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000740623050 602046517 /nfs/dbraw/zinc/04/65/17/602046517.db2.gz KPLSGJYVGJGQIR-ZDUSSCGKSA-N 0 2 361.358 2.267 20 5 FEBDLN C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000828284825 602348607 /nfs/dbraw/zinc/34/86/07/602348607.db2.gz IHFMBINGYGHQPP-IAQYHMDHSA-N 0 2 358.354 2.213 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739177714 602777859 /nfs/dbraw/zinc/77/78/59/602777859.db2.gz HOFZYRRPCRHGNI-ONGXEEELSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739177714 602777860 /nfs/dbraw/zinc/77/78/60/602777860.db2.gz HOFZYRRPCRHGNI-ONGXEEELSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179678 602794607 /nfs/dbraw/zinc/79/46/07/602794607.db2.gz NDHLUAGIEDIJAP-KOLCDFICSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@@H]1NC(=O)[O-] ZINC000739179678 602794608 /nfs/dbraw/zinc/79/46/08/602794608.db2.gz NDHLUAGIEDIJAP-KOLCDFICSA-N 0 2 370.793 2.165 20 5 FEBDLN Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1[N+](=O)[O-] ZINC000109204908 670838543 /nfs/dbraw/zinc/83/85/43/670838543.db2.gz PUPBMUIVNFCYGK-UHFFFAOYSA-N 0 2 359.367 2.164 20 5 FEBDLN COc1ccc(S(=O)(=O)[N-]c2ccc3[nH+]c(C)cn3c2)c([N+](=O)[O-])c1 ZINC000610032645 675948156 /nfs/dbraw/zinc/94/81/56/675948156.db2.gz QFAMFYWAMKBKGS-UHFFFAOYSA-N 0 2 362.367 2.360 20 5 FEBDLN Cc1nn(C)c2ncc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc12 ZINC000120144519 671918439 /nfs/dbraw/zinc/91/84/39/671918439.db2.gz OTPXLAGKGTXUFJ-UHFFFAOYSA-N 0 2 353.385 2.047 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000585723490 672227360 /nfs/dbraw/zinc/22/73/60/672227360.db2.gz UVBKUAVEFRDOOP-UHFFFAOYSA-N 0 2 363.395 2.350 20 5 FEBDLN CCOC(=O)CC[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000586800674 672435447 /nfs/dbraw/zinc/43/54/47/672435447.db2.gz ZUHYICRAAFKLAP-GFCCVEGCSA-N 0 2 350.371 2.496 20 5 FEBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)NCC(F)(F)F ZINC000588946961 672495435 /nfs/dbraw/zinc/49/54/35/672495435.db2.gz NCINCGSBCQCULD-UHFFFAOYSA-N 0 2 363.111 2.198 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC000611294667 676030473 /nfs/dbraw/zinc/03/04/73/676030473.db2.gz QVCQFMNRJAYLCY-UHFFFAOYSA-N 0 2 362.363 2.245 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2cc(COC)ccn2)cc1[N+](=O)[O-] ZINC000593289286 672904656 /nfs/dbraw/zinc/90/46/56/672904656.db2.gz UOBXFZSHEPFMFW-UHFFFAOYSA-N 0 2 351.384 2.499 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000597442610 673478165 /nfs/dbraw/zinc/47/81/65/673478165.db2.gz MKWAPVMQJHMEKZ-UWVGGRQHSA-N 0 2 364.276 2.223 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000542944980 673617058 /nfs/dbraw/zinc/61/70/58/673617058.db2.gz JNSMFJIKGRPZAG-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN Cc1ncc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)n1C ZINC000600653352 673786274 /nfs/dbraw/zinc/78/62/74/673786274.db2.gz HNEBGTVSQLQBER-UHFFFAOYSA-N 0 2 353.404 2.258 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000548450970 673959755 /nfs/dbraw/zinc/95/97/55/673959755.db2.gz UJFRUBOLUGKHAN-STQMWFEESA-N 0 2 352.412 2.427 20 5 FEBDLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818331700 675215046 /nfs/dbraw/zinc/21/50/46/675215046.db2.gz XQLQEOIXWSBHEF-OTYXRUKQSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818331700 675215047 /nfs/dbraw/zinc/21/50/47/675215047.db2.gz XQLQEOIXWSBHEF-OTYXRUKQSA-N 0 2 355.778 2.372 20 5 FEBDLN CC(C)(C)OC(=O)C[C@H]([NH3+])c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000823381899 675549133 /nfs/dbraw/zinc/54/91/33/675549133.db2.gz JDQFTXPWNDEBGZ-VIFPVBQESA-N 0 2 350.331 2.082 20 5 FEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(Cc2cc3c(cc2Br)OCO3)no1 ZINC000842489380 680950723 /nfs/dbraw/zinc/95/07/23/680950723.db2.gz BWHGSRKEJQYBDB-VXNVDRBHSA-N 0 2 368.143 2.284 20 5 FEBDLN O=C1OCCN1c1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768881620 680963183 /nfs/dbraw/zinc/96/31/83/680963183.db2.gz CVKJFAWAHSHQCC-UHFFFAOYSA-N 0 2 369.380 2.414 20 5 FEBDLN CCc1cnc(NS(=O)(=O)c2ccc(NC(=O)OC)c([N+](=O)[O-])c2)o1 ZINC000777685922 681522475 /nfs/dbraw/zinc/52/24/75/681522475.db2.gz ZSSGTQFXIRSXRD-UHFFFAOYSA-N 0 2 370.343 2.124 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1COC2=O ZINC000918725370 685541495 /nfs/dbraw/zinc/54/14/95/685541495.db2.gz CFTNPQGZKHPEGY-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN Cc1cc(S(=O)(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000921855206 683595065 /nfs/dbraw/zinc/59/50/65/683595065.db2.gz RRXHZXWBJPXMIJ-CBAPKCEASA-N 0 2 374.362 2.210 20 5 FEBDLN CN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000025657895 539765340 /nfs/dbraw/zinc/76/53/40/539765340.db2.gz LFYRVZBJISBXDE-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000055580426 540660869 /nfs/dbraw/zinc/66/08/69/540660869.db2.gz VXYVMNGUMCAJGY-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c([N+](=O)[O-])c1 ZINC000065833850 541265280 /nfs/dbraw/zinc/26/52/80/541265280.db2.gz SPXYGQHLSHLMGO-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN C[C@H](O)CCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387803 674125093 /nfs/dbraw/zinc/12/50/93/674125093.db2.gz ZGQWTEFNCBPMOY-VIFPVBQESA-N 0 2 369.761 2.457 20 5 FEBDLN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000126584179 543945062 /nfs/dbraw/zinc/94/50/62/543945062.db2.gz JUHXYPAKXRIWGR-TZMCWYRMSA-N 0 2 363.414 2.457 20 5 FEBDLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000552435300 674209194 /nfs/dbraw/zinc/20/91/94/674209194.db2.gz ZBYAKHRIVYCYCE-GFCCVEGCSA-N 0 2 350.371 2.494 20 5 FEBDLN CS(=O)(=O)c1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000189935595 328177132 /nfs/dbraw/zinc/17/71/32/328177132.db2.gz PHYMJZFDLWRGPH-UHFFFAOYSA-N 0 2 361.335 2.421 20 5 FEBDLN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2=O)cc1 ZINC000192288609 328311323 /nfs/dbraw/zinc/31/13/23/328311323.db2.gz RGNGBEYIMUMXKQ-OAHLLOKOSA-N 0 2 369.377 2.140 20 5 FEBDLN Cc1nc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)n[nH]1 ZINC000050535138 324695878 /nfs/dbraw/zinc/69/58/78/324695878.db2.gz RWNXKGRLXBBJAC-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN C[C@H](CN(C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C1CC1)C(=O)[O-] ZINC000237383015 328514331 /nfs/dbraw/zinc/51/43/31/328514331.db2.gz XBRVLVZTLFQCHZ-LLVKDONJSA-N 0 2 358.354 2.106 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(CC(N)=O)cc2)c1C ZINC000161697419 327006639 /nfs/dbraw/zinc/00/66/39/327006639.db2.gz QMDLVOFUPALTHX-UHFFFAOYSA-N 0 2 363.395 2.040 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C)c(C(N)=O)c2)c1C ZINC000163292478 327047862 /nfs/dbraw/zinc/04/78/62/327047862.db2.gz LKRGEYMPZYOHMC-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000165762747 327079224 /nfs/dbraw/zinc/07/92/24/327079224.db2.gz WAWNSSWZOPUPNO-UHFFFAOYSA-N 0 2 357.301 2.401 20 5 FEBDLN CCc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)nc(C)n1 ZINC000273714825 329885848 /nfs/dbraw/zinc/88/58/48/329885848.db2.gz FVBXIVCAQGVQSM-UHFFFAOYSA-N 0 2 352.372 2.065 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc2sccn2c1[N+](=O)[O-] ZINC000160559959 546050935 /nfs/dbraw/zinc/05/09/35/546050935.db2.gz CEXYEHHYSGROSL-UHFFFAOYSA-N 0 2 362.396 2.238 20 5 FEBDLN COc1ccc(-n2nnc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c2C)cc1 ZINC000483431993 561277085 /nfs/dbraw/zinc/27/70/85/561277085.db2.gz FVBDFTSIBCKJCI-UHFFFAOYSA-N 0 2 369.337 2.450 20 5 FEBDLN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182010805 547421055 /nfs/dbraw/zinc/42/10/55/547421055.db2.gz UJNFVBXDZWSTML-GFCCVEGCSA-N 0 2 363.414 2.315 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1cn(Cc2cccc(F)c2)nn1 ZINC000183920046 547739573 /nfs/dbraw/zinc/73/95/73/547739573.db2.gz HRNYAKZUVIJIFG-UHFFFAOYSA-N 0 2 357.301 2.332 20 5 FEBDLN Cc1ccc([C@@H](C)NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1[N+](=O)[O-] ZINC000488061271 561382579 /nfs/dbraw/zinc/38/25/79/561382579.db2.gz CAFOPCBPKARMAD-SECBINFHSA-N 0 2 369.337 2.144 20 5 FEBDLN COc1cc(OC)c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1 ZINC000488234014 561386716 /nfs/dbraw/zinc/38/67/16/561386716.db2.gz QVVUNIZJXFOBHG-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000493319408 561455366 /nfs/dbraw/zinc/45/53/66/561455366.db2.gz JODZELYUVDOACP-SWLSCSKDSA-N 0 2 366.320 2.268 20 5 FEBDLN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000272461722 550450554 /nfs/dbraw/zinc/45/05/54/550450554.db2.gz XWRVDHDHLOTFCW-NSHDSACASA-N 0 2 352.412 2.475 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(C)(C)C)o1 ZINC000278416752 550783505 /nfs/dbraw/zinc/78/35/05/550783505.db2.gz QXRFCKOQBRIUSM-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cncc(N3CCCC3)n2)cc1[N+](=O)[O-] ZINC000278508592 550793754 /nfs/dbraw/zinc/79/37/54/550793754.db2.gz DSVOMCSQVDIKRF-UHFFFAOYSA-N 0 2 363.399 2.094 20 5 FEBDLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000278553146 550798466 /nfs/dbraw/zinc/79/84/66/550798466.db2.gz AFPZYSDWLMSRBL-LLVKDONJSA-N 0 2 370.362 2.120 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnc(C(C)C)nc2)ccc1[N+](=O)[O-] ZINC000279887544 550939750 /nfs/dbraw/zinc/93/97/50/550939750.db2.gz OEBLNEZHHKJYSB-UHFFFAOYSA-N 0 2 352.372 2.318 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c(N)cccc1[N+](=O)[O-] ZINC000499752186 561557660 /nfs/dbraw/zinc/55/76/60/561557660.db2.gz SCKZYGVNJMVBHS-UHFFFAOYSA-N 0 2 359.367 2.160 20 5 FEBDLN O=C(NCc1ccncc1OC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000288541737 552171882 /nfs/dbraw/zinc/17/18/82/552171882.db2.gz HPRNDKIZZISCGK-LBPRGKRZSA-N 0 2 373.365 2.041 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2CN(C)C3)c([N+](=O)[O-])c1 ZINC000291909291 552673957 /nfs/dbraw/zinc/67/39/57/552673957.db2.gz SCCWOWKEKSIZPT-UHFFFAOYSA-N 0 2 363.395 2.350 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000328416539 553794304 /nfs/dbraw/zinc/79/43/04/553794304.db2.gz RLMCKTGLWMCDGX-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN COCCc1ccnc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000508072151 561750425 /nfs/dbraw/zinc/75/04/25/561750425.db2.gz FABUSORGGWYSTD-UHFFFAOYSA-N 0 2 351.384 2.288 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(C)c2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000366260794 555795739 /nfs/dbraw/zinc/79/57/39/555795739.db2.gz SRDQDCDJOVCVLH-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@]2(CCCOC2)O1 ZINC000366461665 555850733 /nfs/dbraw/zinc/85/07/33/555850733.db2.gz NGSADORVKPHQDU-KRWDZBQOSA-N 0 2 350.371 2.101 20 5 FEBDLN COc1ccc(-n2ccc(CNC(=O)c3cccc(O)c3[N+](=O)[O-])n2)cc1 ZINC000366805527 555938897 /nfs/dbraw/zinc/93/88/97/555938897.db2.gz MPZQLLIURDTSGK-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN1C(=O)c1ccccc1O ZINC000369962600 556742526 /nfs/dbraw/zinc/74/25/26/556742526.db2.gz NZIDZPADNJVOKO-CYBMUJFWSA-N 0 2 371.349 2.249 20 5 FEBDLN CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000370366039 556851696 /nfs/dbraw/zinc/85/16/96/556851696.db2.gz IOEOQLUPQHIDGI-GJZGRUSLSA-N 0 2 361.398 2.306 20 5 FEBDLN CC1(C)CN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C[C@@]2(CCCOC2)O1 ZINC000373523995 557710950 /nfs/dbraw/zinc/71/09/50/557710950.db2.gz XAZCATJFUHQWQJ-QGZVFWFLSA-N 0 2 350.371 2.101 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC000375762729 558078602 /nfs/dbraw/zinc/07/86/02/558078602.db2.gz ZCPAUGBGISKDJG-UHFFFAOYSA-N 0 2 356.260 2.241 20 5 FEBDLN CC[C@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)OC ZINC000421155698 559527377 /nfs/dbraw/zinc/52/73/77/559527377.db2.gz OGYHVGPKFWCVHL-GFCCVEGCSA-N 0 2 354.388 2.152 20 5 FEBDLN CC[C@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)OC ZINC000421155698 559527378 /nfs/dbraw/zinc/52/73/78/559527378.db2.gz OGYHVGPKFWCVHL-GFCCVEGCSA-N 0 2 354.388 2.152 20 5 FEBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)CCOCC3CC3)[nH]n2)c1 ZINC000424067439 559653383 /nfs/dbraw/zinc/65/33/83/559653383.db2.gz WEGYZJRHCVMQGA-UHFFFAOYSA-N 0 2 366.399 2.153 20 5 FEBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)CCOCC3CC3)n[nH]2)c1 ZINC000424067439 559653384 /nfs/dbraw/zinc/65/33/84/559653384.db2.gz WEGYZJRHCVMQGA-UHFFFAOYSA-N 0 2 366.399 2.153 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000427345453 559753859 /nfs/dbraw/zinc/75/38/59/559753859.db2.gz OKRMXTGEOJCFFF-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)nn1-c1nc(C)cc(C)n1 ZINC000436707190 559949546 /nfs/dbraw/zinc/94/95/46/559949546.db2.gz WYYZVJAZJBZUSX-UHFFFAOYSA-N 0 2 368.353 2.454 20 5 FEBDLN O=C(NC[C@@H](CO)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1O ZINC000436742810 559950512 /nfs/dbraw/zinc/95/05/12/559950512.db2.gz WXBYZVCRKRIODM-JTQLQIEISA-N 0 2 350.758 2.460 20 5 FEBDLN COC[C@]1(CNC(=O)c2cc([N+](=O)[O-])ccc2O)OCCc2ccccc21 ZINC000436783733 559951940 /nfs/dbraw/zinc/95/19/40/559951940.db2.gz NDQACOGYDVDRNM-IBGZPJMESA-N 0 2 372.377 2.145 20 5 FEBDLN O=C(NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436871634 559955015 /nfs/dbraw/zinc/95/50/15/559955015.db2.gz QXQQIDJZVYQMQE-CRAIPNDOSA-N 0 2 360.341 2.336 20 5 FEBDLN O=C(NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436871635 559955173 /nfs/dbraw/zinc/95/51/73/559955173.db2.gz QXQQIDJZVYQMQE-MAUKXSAKSA-N 0 2 360.341 2.336 20 5 FEBDLN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436946060 559957167 /nfs/dbraw/zinc/95/71/67/559957167.db2.gz CFJABAPNJMQNNP-HNNXBMFYSA-N 0 2 358.350 2.205 20 5 FEBDLN O=C(Nc1cccc(Cn2cccnc2=O)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436972036 559958075 /nfs/dbraw/zinc/95/80/75/559958075.db2.gz MHMYFPYEXNOFQI-UHFFFAOYSA-N 0 2 366.333 2.158 20 5 FEBDLN CN(Cc1nc(-c2cccnc2)no1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436973628 559958166 /nfs/dbraw/zinc/95/81/66/559958166.db2.gz UDYXFSDRVHEPPP-UHFFFAOYSA-N 0 2 355.310 2.018 20 5 FEBDLN O=C(N[C@@H](Cc1nnc[nH]1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436990686 559958762 /nfs/dbraw/zinc/95/87/62/559958762.db2.gz PIODBIVFZLGAPE-AWEZNQCLSA-N 0 2 353.338 2.132 20 5 FEBDLN O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000436990686 559958763 /nfs/dbraw/zinc/95/87/63/559958763.db2.gz PIODBIVFZLGAPE-AWEZNQCLSA-N 0 2 353.338 2.132 20 5 FEBDLN O=C(NCc1noc(-c2ccccc2F)n1)c1ccc([N+](=O)[O-])cc1O ZINC000437005666 559959418 /nfs/dbraw/zinc/95/94/18/559959418.db2.gz WVZAEJAZUAXWAY-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2c(C)c(C)ccc2[N+](=O)[O-])c1 ZINC000438379664 559978158 /nfs/dbraw/zinc/97/81/58/559978158.db2.gz QJIOPWYSXWPXLU-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000442222438 560046315 /nfs/dbraw/zinc/04/63/15/560046315.db2.gz NFKSVKDOPUXJAT-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nnc1-c1ccccc1 ZINC000444775567 560120547 /nfs/dbraw/zinc/12/05/47/560120547.db2.gz JIUMADLMKZZDND-UHFFFAOYSA-N 0 2 367.365 2.068 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000446953896 560154052 /nfs/dbraw/zinc/15/40/52/560154052.db2.gz IGGYUMULEFOYAP-VIFPVBQESA-N 0 2 374.762 2.284 20 5 FEBDLN Cn1c(=O)ccc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 ZINC000447254120 560158770 /nfs/dbraw/zinc/15/87/70/560158770.db2.gz APZPWDYYAIXQFX-UHFFFAOYSA-N 0 2 359.363 2.248 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)cnn1[C@@H]1CCOC1 ZINC000451100231 560287142 /nfs/dbraw/zinc/28/71/42/560287142.db2.gz RFMFOISWJLVUFZ-CYBMUJFWSA-N 0 2 366.399 2.170 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cnn1[C@H]1CCOC1 ZINC000451100548 560287219 /nfs/dbraw/zinc/28/72/19/560287219.db2.gz VGTPBIICPVAEOF-LBPRGKRZSA-N 0 2 366.399 2.170 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@H]1n1cccn1 ZINC000456676387 560528465 /nfs/dbraw/zinc/52/84/65/560528465.db2.gz VFQHQEBWTQXBGC-FVQBIDKESA-N 0 2 374.397 2.424 20 5 FEBDLN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1O ZINC000458048556 560601092 /nfs/dbraw/zinc/60/10/92/560601092.db2.gz RUYDYKZCYBPBGY-OCCSQVGLSA-N 0 2 364.379 2.365 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)c([N+](=O)[O-])c1 ZINC000466838580 560897096 /nfs/dbraw/zinc/89/70/96/560897096.db2.gz RGUIJXHKCMOQFN-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COc1c2ccccc2oc1CNS(=O)(=O)c1cccnc1[N+](=O)[O-] ZINC000530493999 562413477 /nfs/dbraw/zinc/41/34/77/562413477.db2.gz XXOOZYJVEBPFTM-UHFFFAOYSA-N 0 2 363.351 2.223 20 5 FEBDLN O=C(CCNc1ccccc1[N+](=O)[O-])N=c1nc(-c2cccnc2)[nH]s1 ZINC000534437086 562534232 /nfs/dbraw/zinc/53/42/32/562534232.db2.gz UPFZBVJZUYTMAJ-UHFFFAOYSA-N 0 2 370.394 2.371 20 5 FEBDLN Cc1ccccc1[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)NC(N)=O ZINC000535517364 562560296 /nfs/dbraw/zinc/56/02/96/562560296.db2.gz XWNUVMRJULYMRD-CYBMUJFWSA-N 0 2 358.354 2.347 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(O)cc(F)c1 ZINC000541305906 562608530 /nfs/dbraw/zinc/60/85/30/562608530.db2.gz DUAWCWMQHUNINH-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cnn1-c1ccccn1 ZINC000542003318 562625481 /nfs/dbraw/zinc/62/54/81/562625481.db2.gz UESLOZCLPTXVGD-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=C([O-])c1ccc2c(c1)C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000740201911 600014593 /nfs/dbraw/zinc/01/45/93/600014593.db2.gz AUPAXKYHHGEXOY-QGZVFWFLSA-N 0 2 367.361 2.414 20 5 FEBDLN O=C([O-])c1ccc2c(c1)C[N@@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2 ZINC000740201911 600014596 /nfs/dbraw/zinc/01/45/96/600014596.db2.gz AUPAXKYHHGEXOY-QGZVFWFLSA-N 0 2 367.361 2.414 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630941 601959152 /nfs/dbraw/zinc/95/91/52/601959152.db2.gz TYTRJMKGBJVQSY-UWVGGRQHSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630941 601959155 /nfs/dbraw/zinc/95/91/55/601959155.db2.gz TYTRJMKGBJVQSY-UWVGGRQHSA-N 0 2 370.793 2.165 20 5 FEBDLN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000560714833 674611197 /nfs/dbraw/zinc/61/11/97/674611197.db2.gz XASDHRMUUSHEKU-UHFFFAOYSA-N 0 2 363.395 2.140 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000014256218 670008047 /nfs/dbraw/zinc/00/80/47/670008047.db2.gz KJSWWUPOEJJGIU-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN COCc1csc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 ZINC000580794997 671833925 /nfs/dbraw/zinc/83/39/25/671833925.db2.gz APNMOVUNKBAOID-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN Cc1nc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)nc2c1CCCC2 ZINC000120152116 671918355 /nfs/dbraw/zinc/91/83/55/671918355.db2.gz CHJURSDCLDPGQR-UHFFFAOYSA-N 0 2 354.413 2.434 20 5 FEBDLN CCCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1n[nH]c(=O)[nH]1 ZINC000611479018 676039565 /nfs/dbraw/zinc/03/95/65/676039565.db2.gz ABJDQRJREVLBTO-UHFFFAOYSA-N 0 2 351.388 2.241 20 5 FEBDLN Cc1ncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)n1C ZINC000600667765 673789867 /nfs/dbraw/zinc/78/98/67/673789867.db2.gz HQFZZYOYFOMUKE-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)NC2(C(F)(F)F)CCC2)c([N+](=O)[O-])c1 ZINC000760613395 680694857 /nfs/dbraw/zinc/69/48/57/680694857.db2.gz BGVTVBVNUDEXQL-UHFFFAOYSA-N 0 2 369.277 2.266 20 5 FEBDLN CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc([N+](=O)[O-])c(O)c2)NC(=S)N1 ZINC000748208870 679941769 /nfs/dbraw/zinc/94/17/69/679941769.db2.gz RFWCUTZEUVSBLR-CQSZACIVSA-N 0 2 365.411 2.292 20 5 FEBDLN CC1=NC(=S)N[C@H](c2ccc([N+](=O)[O-])c(O)c2)C1C(=O)OCC(C)C ZINC000748208870 679941771 /nfs/dbraw/zinc/94/17/71/679941771.db2.gz RFWCUTZEUVSBLR-CQSZACIVSA-N 0 2 365.411 2.292 20 5 FEBDLN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753975378 680327811 /nfs/dbraw/zinc/32/78/11/680327811.db2.gz FEISHVWWQXRSHF-JTMRULEUSA-N 0 2 365.411 2.497 20 5 FEBDLN Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C(C)(C)NC(=O)C(F)(F)F)CC2 ZINC000759022494 680622147 /nfs/dbraw/zinc/62/21/47/680622147.db2.gz AMEROSOKNFECPH-UHFFFAOYSA-N 0 2 359.304 2.249 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)c(OC)n1 ZINC000768274199 680942455 /nfs/dbraw/zinc/94/24/55/680942455.db2.gz NYCKGZQMFQEDDP-UHFFFAOYSA-N 0 2 371.346 2.255 20 5 FEBDLN COC1(CS(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1 ZINC000844646049 681070675 /nfs/dbraw/zinc/07/06/75/681070675.db2.gz UPXYIJZBMXQMFP-UHFFFAOYSA-N 0 2 364.807 2.186 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000917714250 685534038 /nfs/dbraw/zinc/53/40/38/685534038.db2.gz ZFLHCJQRUGGOCP-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN Cc1ccc2[nH+]c(C[N-]S(=O)(=O)c3cccc(F)c3[N+](=O)[O-])cn2c1 ZINC000918194497 685537895 /nfs/dbraw/zinc/53/78/95/685537895.db2.gz GGRJGGUZBVCDMR-UHFFFAOYSA-N 0 2 364.358 2.169 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)o1 ZINC000790635672 682689986 /nfs/dbraw/zinc/68/99/86/682689986.db2.gz VHQLGVRQKTYDTK-UHFFFAOYSA-N 0 2 356.316 2.217 20 5 FEBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000795881215 683103702 /nfs/dbraw/zinc/10/37/02/683103702.db2.gz OLAXASIFVFAQKI-RXMQYKEDSA-N 0 2 364.742 2.118 20 5 FEBDLN C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2NC1=O ZINC000007729238 539464613 /nfs/dbraw/zinc/46/46/13/539464613.db2.gz BCXSYUKNBAZZRK-SECBINFHSA-N 0 2 363.351 2.115 20 5 FEBDLN CN(C)C1=NC(=O)[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000028757085 539836584 /nfs/dbraw/zinc/83/65/84/539836584.db2.gz RWPQBPBAQHDUMO-JTQLQIEISA-N 0 2 356.791 2.136 20 5 FEBDLN CN(C)C1=NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000028757085 539836586 /nfs/dbraw/zinc/83/65/86/539836586.db2.gz RWPQBPBAQHDUMO-JTQLQIEISA-N 0 2 356.791 2.136 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000550652846 674104198 /nfs/dbraw/zinc/10/41/98/674104198.db2.gz UEFBRKSKLDHOPX-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1C ZINC000060442542 541112353 /nfs/dbraw/zinc/11/23/53/541112353.db2.gz HQVZNWDLXQVXOQ-UHFFFAOYSA-N 0 2 363.351 2.447 20 5 FEBDLN COc1ccc(-n2ccc(CNC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)cc1 ZINC000065702876 541253639 /nfs/dbraw/zinc/25/36/39/541253639.db2.gz MWMQXTVSZHRDFS-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCN(C(=O)C2CCCCC2)CC1 ZINC000066941493 541397630 /nfs/dbraw/zinc/39/76/30/541397630.db2.gz MVPUITXAKSNFGF-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CCOc1ncccc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000123698244 543777979 /nfs/dbraw/zinc/77/79/79/543777979.db2.gz CFHMZGSRHAJRMI-UHFFFAOYSA-N 0 2 355.347 2.006 20 5 FEBDLN Cc1nc(C2(NS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])CCCC2)no1 ZINC000123713057 543778348 /nfs/dbraw/zinc/77/83/48/543778348.db2.gz VHFRGVVVFRNQKN-UHFFFAOYSA-N 0 2 370.362 2.173 20 5 FEBDLN O=C(CNC(=O)c1ccc2c(c1)CCC2)Nc1cc([N+](=O)[O-])ccc1O ZINC000126616479 543946908 /nfs/dbraw/zinc/94/69/08/543946908.db2.gz ZDOHDFBOTGDKMU-UHFFFAOYSA-N 0 2 355.350 2.158 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccncc2)n[nH]1 ZINC000151589754 544560091 /nfs/dbraw/zinc/56/00/91/544560091.db2.gz DYUPUZCIRBRINN-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000151589754 544560093 /nfs/dbraw/zinc/56/00/93/544560093.db2.gz DYUPUZCIRBRINN-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])CO2 ZINC000152592775 544671597 /nfs/dbraw/zinc/67/15/97/544671597.db2.gz XFSWBZWUGWDXGW-GFCCVEGCSA-N 0 2 352.343 2.454 20 5 FEBDLN Cc1nc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3O)CC2)sc1C ZINC000182156074 327763334 /nfs/dbraw/zinc/76/33/34/327763334.db2.gz KQPSFBIWWLZYNN-UHFFFAOYSA-N 0 2 362.411 2.336 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000183382479 327814510 /nfs/dbraw/zinc/81/45/10/327814510.db2.gz NURWPKHJQJPTQN-UHFFFAOYSA-N 0 2 355.397 2.066 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000183432093 327817521 /nfs/dbraw/zinc/81/75/21/327817521.db2.gz ROLMERHJMAHCFY-HNNXBMFYSA-N 0 2 355.350 2.004 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(CN2CCCCC2=O)CC1 ZINC000184792001 327883468 /nfs/dbraw/zinc/88/34/68/327883468.db2.gz HJNSSCVCSBJMLY-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000193210886 328362633 /nfs/dbraw/zinc/36/26/33/328362633.db2.gz VOINZBZZGKYADK-LBPRGKRZSA-N 0 2 361.320 2.256 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1ccc(-n2cccn2)nc1 ZINC000194127790 328412061 /nfs/dbraw/zinc/41/20/61/328412061.db2.gz DEHNCIUFQQSGTC-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc3c(c2)oc(=O)n3C)cc1[N+](=O)[O-] ZINC000119133636 326130554 /nfs/dbraw/zinc/13/05/54/326130554.db2.gz WBPKRWHJPVTAHG-UHFFFAOYSA-N 0 2 369.380 2.210 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000119207151 326137256 /nfs/dbraw/zinc/13/72/56/326137256.db2.gz KNHQSFVXLRMXJV-UHFFFAOYSA-N 0 2 352.344 2.227 20 5 FEBDLN CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000120838976 326292206 /nfs/dbraw/zinc/29/22/06/326292206.db2.gz QYPYZYTUWKFKPN-UHFFFAOYSA-N 0 2 371.393 2.409 20 5 FEBDLN CN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000157869956 326877872 /nfs/dbraw/zinc/87/78/72/326877872.db2.gz PBAUMDSNCIOPNK-HNNXBMFYSA-N 0 2 355.350 2.178 20 5 FEBDLN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000273249443 329848976 /nfs/dbraw/zinc/84/89/76/329848976.db2.gz RKGQNICGEZJUBB-UHFFFAOYSA-N 0 2 373.365 2.291 20 5 FEBDLN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000274377054 329943140 /nfs/dbraw/zinc/94/31/40/329943140.db2.gz FMGDQKJSUAZZTH-LBPRGKRZSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160217327 546017909 /nfs/dbraw/zinc/01/79/09/546017909.db2.gz LXHULBFEGPVWPS-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(-c2ccncc2)nn1C ZINC000479273155 561186349 /nfs/dbraw/zinc/18/63/49/561186349.db2.gz YRDIZNJUDQOOCT-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179474041 546960552 /nfs/dbraw/zinc/96/05/52/546960552.db2.gz INLYMCLMVUHMTR-LBPRGKRZSA-N 0 2 357.370 2.316 20 5 FEBDLN O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180769242 547175978 /nfs/dbraw/zinc/17/59/78/547175978.db2.gz ONJVHIDLDVSSFV-INIZCTEOSA-N 0 2 369.377 2.473 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(N(C)C)n2)c1C ZINC000181096854 547249750 /nfs/dbraw/zinc/24/97/50/547249750.db2.gz JGYJCJIKQZUDPQ-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN CC(=O)Nc1cccc2c1CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)C2 ZINC000181909934 547403061 /nfs/dbraw/zinc/40/30/61/547403061.db2.gz DUJVCGVVZJZMCT-UHFFFAOYSA-N 0 2 355.350 2.457 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000484019213 561289653 /nfs/dbraw/zinc/28/96/53/561289653.db2.gz YUXNPIRYKNMVAN-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN CCC(CC)[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)N1CCOCC1 ZINC000183900693 547736888 /nfs/dbraw/zinc/73/68/88/547736888.db2.gz BEHNUSXDEFEPRJ-INIZCTEOSA-N 0 2 351.403 2.376 20 5 FEBDLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000184666114 547862995 /nfs/dbraw/zinc/86/29/95/547862995.db2.gz CQROFKRFVWFANM-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN Cc1occc1C(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184964955 547908518 /nfs/dbraw/zinc/90/85/18/547908518.db2.gz WUYQHCVULGEEET-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000185458606 547987997 /nfs/dbraw/zinc/98/79/97/547987997.db2.gz NGLDWWNKBAFIIS-UHFFFAOYSA-N 0 2 358.276 2.325 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000185866869 548048209 /nfs/dbraw/zinc/04/82/09/548048209.db2.gz OQHRQFFWVGWKHR-LLVKDONJSA-N 0 2 357.370 2.316 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1 ZINC000280222410 550972774 /nfs/dbraw/zinc/97/27/74/550972774.db2.gz GMULSOCYVNSYJI-LLVKDONJSA-N 0 2 366.399 2.321 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)cc1 ZINC000280400893 550989617 /nfs/dbraw/zinc/98/96/17/550989617.db2.gz XRHBUCFECHCIAI-JTQLQIEISA-N 0 2 352.372 2.013 20 5 FEBDLN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000286125719 551851436 /nfs/dbraw/zinc/85/14/36/551851436.db2.gz XDCWUYVEJLASEY-NSHDSACASA-N 0 2 351.359 2.041 20 5 FEBDLN CCc1nn(C)cc1NS(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000295269298 552979034 /nfs/dbraw/zinc/97/90/34/552979034.db2.gz ZCSIEPGELHUJOM-UHFFFAOYSA-N 0 2 362.770 2.484 20 5 FEBDLN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(F)cc1 ZINC000505656227 561676461 /nfs/dbraw/zinc/67/64/61/561676461.db2.gz DLNMOWPHDALOLO-CYBMUJFWSA-N 0 2 362.313 2.474 20 5 FEBDLN COc1cc(OC)c(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(OC)c1 ZINC000507727030 561739312 /nfs/dbraw/zinc/73/93/12/561739312.db2.gz SESCWUIYZSATAX-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509089368 561784485 /nfs/dbraw/zinc/78/44/85/561784485.db2.gz KNWZARYUEJNQRZ-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509219473 561790886 /nfs/dbraw/zinc/79/08/86/561790886.db2.gz LSSPYJXLBQUCOQ-UHFFFAOYSA-N 0 2 366.351 2.271 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(c2ncccc2Cl)CC1 ZINC000509833872 561815465 /nfs/dbraw/zinc/81/54/65/561815465.db2.gz TUBUMTJRGORTLU-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000511709492 561878697 /nfs/dbraw/zinc/87/86/97/561878697.db2.gz ATHBRFWGQJVZCC-UHFFFAOYSA-N 0 2 361.398 2.211 20 5 FEBDLN CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000363801151 555189023 /nfs/dbraw/zinc/18/90/23/555189023.db2.gz SGGFUOVQNCDCLS-UHFFFAOYSA-N 0 2 356.382 2.436 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN(c2ncccc2F)CC1 ZINC000364766850 555397342 /nfs/dbraw/zinc/39/73/42/555397342.db2.gz CSSGFGKVKRXSAD-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCC2)CC1 ZINC000367011949 555996725 /nfs/dbraw/zinc/99/67/25/555996725.db2.gz ZSUHWIGLMDHPKH-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1N1CCNC1=O ZINC000514926814 561987037 /nfs/dbraw/zinc/98/70/37/561987037.db2.gz JHUKLNRFWOFADY-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000368341703 556282501 /nfs/dbraw/zinc/28/25/01/556282501.db2.gz GCQJRBMBWZNSJS-CYBMUJFWSA-N 0 2 361.354 2.337 20 5 FEBDLN C[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000368610795 556361450 /nfs/dbraw/zinc/36/14/50/556361450.db2.gz BACNSSSTXWHLOQ-NHYWBVRUSA-N 0 2 355.350 2.224 20 5 FEBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccs1 ZINC000518953869 562121674 /nfs/dbraw/zinc/12/16/74/562121674.db2.gz BDIGOEDSKGXILK-CYBMUJFWSA-N 0 2 370.408 2.157 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc1[N+](=O)[O-] ZINC000519702014 562140578 /nfs/dbraw/zinc/14/05/78/562140578.db2.gz BDJJDHBQMVVINX-UHFFFAOYSA-N 0 2 350.400 2.491 20 5 FEBDLN O=C(NC1CCN(Cc2cscn2)CC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000375626378 558058617 /nfs/dbraw/zinc/05/86/17/558058617.db2.gz XEYYXJDIIBNBAR-UHFFFAOYSA-N 0 2 362.411 2.151 20 5 FEBDLN COc1ccc(C2=NO[C@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000375817040 558084284 /nfs/dbraw/zinc/08/42/84/558084284.db2.gz CAPKIAJXSAGEDW-AWEZNQCLSA-N 0 2 371.349 2.232 20 5 FEBDLN Cc1ccn2cc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])nc2c1 ZINC000521772044 562183427 /nfs/dbraw/zinc/18/34/27/562183427.db2.gz FBQGGOYMJGKWRE-UHFFFAOYSA-N 0 2 364.358 2.169 20 5 FEBDLN Cc1ccn2cc(C[N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH+]c2c1 ZINC000521772044 562183428 /nfs/dbraw/zinc/18/34/28/562183428.db2.gz FBQGGOYMJGKWRE-UHFFFAOYSA-N 0 2 364.358 2.169 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1OCC(=O)N2 ZINC000378018249 558464267 /nfs/dbraw/zinc/46/42/67/558464267.db2.gz NDNOUMZPQHOHHB-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN Cc1occc1C(=O)N1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000378540161 558578421 /nfs/dbraw/zinc/57/84/21/558578421.db2.gz TUKVHHJHJVIEIV-UHFFFAOYSA-N 0 2 373.365 2.236 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000378568980 558585464 /nfs/dbraw/zinc/58/54/64/558585464.db2.gz FZAIMDKMOKCZRI-GFCCVEGCSA-N 0 2 373.369 2.002 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC)cc1 ZINC000392770013 558619096 /nfs/dbraw/zinc/61/90/96/558619096.db2.gz KXDJXGQXUJQVMT-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 ZINC000414381866 559159900 /nfs/dbraw/zinc/15/99/00/559159900.db2.gz NLQAPFUXKUELQI-LBPRGKRZSA-N 0 2 368.415 2.416 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1CC(F)(F)F ZINC000416940779 559339391 /nfs/dbraw/zinc/33/93/91/559339391.db2.gz ASTTXPGLUYPMAA-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN CCOC(=O)COc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436634905 559947263 /nfs/dbraw/zinc/94/72/63/559947263.db2.gz NHWHPIKQLABYCM-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN O=C(NCc1ccn(Cc2ccccc2)n1)c1cc([N+](=O)[O-])ccc1O ZINC000436722112 559950004 /nfs/dbraw/zinc/95/00/04/559950004.db2.gz LLBATONNQCQFRW-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436946262 559957001 /nfs/dbraw/zinc/95/70/01/559957001.db2.gz AEOQZDOOHJHAPT-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN COc1cccc(N2CC[C@@H](NC(=O)c3cc([N+](=O)[O-])ccc3O)C2)c1 ZINC000436971099 559957899 /nfs/dbraw/zinc/95/78/99/559957899.db2.gz NQUQPOPFMKGFEV-GFCCVEGCSA-N 0 2 357.366 2.318 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452483075 560366010 /nfs/dbraw/zinc/36/60/10/560366010.db2.gz NQNCRXPPRGFGDU-CRAIPNDOSA-N 0 2 360.341 2.241 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1O ZINC000468369064 560928113 /nfs/dbraw/zinc/92/81/13/560928113.db2.gz TYDDOLNQQKKGKD-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1[N+](=O)[O-])C(F)(F)F ZINC000468861208 560940636 /nfs/dbraw/zinc/94/06/36/560940636.db2.gz HJDDXEICIOYIAK-JTQLQIEISA-N 0 2 370.305 2.001 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000470650259 560986705 /nfs/dbraw/zinc/98/67/05/560986705.db2.gz BSIZDGUIYMUOJU-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN COc1nn(C)cc1NS(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000473486861 561051018 /nfs/dbraw/zinc/05/10/18/561051018.db2.gz GBOUYXQUSZTVKE-UHFFFAOYSA-N 0 2 360.779 2.100 20 5 FEBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cc(F)cc(F)c1)OCCO2 ZINC000476763052 561127933 /nfs/dbraw/zinc/12/79/33/561127933.db2.gz RLBXXTQFBJDIQA-UHFFFAOYSA-N 0 2 372.305 2.445 20 5 FEBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1cccc(F)c1)OCCO2 ZINC000476810172 561128875 /nfs/dbraw/zinc/12/88/75/561128875.db2.gz UBXYNWVUTIORAE-UHFFFAOYSA-N 0 2 354.315 2.306 20 5 FEBDLN C[C@@](O)(C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)C(F)(F)F ZINC000545957796 562631644 /nfs/dbraw/zinc/63/16/44/562631644.db2.gz MWKWZUOCFCRENQ-CQSZACIVSA-N 0 2 362.304 2.466 20 5 FEBDLN O=C([O-])c1ccnc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000569366950 568396653 /nfs/dbraw/zinc/39/66/53/568396653.db2.gz QZOYZAXZWQFJFY-HNNXBMFYSA-N 0 2 372.381 2.173 20 5 FEBDLN CN(C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739661223 602538662 /nfs/dbraw/zinc/53/86/62/602538662.db2.gz OFWWRTKXQRTKGC-JTQLQIEISA-N 0 2 370.793 2.118 20 5 FEBDLN CN(C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])C1)C(=O)[O-] ZINC000739661223 602538663 /nfs/dbraw/zinc/53/86/63/602538663.db2.gz OFWWRTKXQRTKGC-JTQLQIEISA-N 0 2 370.793 2.118 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739181258 602794476 /nfs/dbraw/zinc/79/44/76/602794476.db2.gz RJLNVZZAXMNKFQ-SKDRFNHKSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC[C@@H]1NC(=O)[O-] ZINC000739181258 602794478 /nfs/dbraw/zinc/79/44/78/602794478.db2.gz RJLNVZZAXMNKFQ-SKDRFNHKSA-N 0 2 370.793 2.165 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@H]1CCCN1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833953894 605816540 /nfs/dbraw/zinc/81/65/40/605816540.db2.gz DSCKQWOEHNYEJT-HUUCEWRRSA-N 0 2 359.386 2.150 20 5 FEBDLN C[C@@H]1C[N@@H+](CCN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000565662257 675141502 /nfs/dbraw/zinc/14/15/02/675141502.db2.gz XTXBXPNLCTVHFJ-PHIMTYICSA-N 0 2 371.821 2.135 20 5 FEBDLN C[C@@H]1C[N@H+](CCN(C)C(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H](C)O1 ZINC000565662257 675141503 /nfs/dbraw/zinc/14/15/03/675141503.db2.gz XTXBXPNLCTVHFJ-PHIMTYICSA-N 0 2 371.821 2.135 20 5 FEBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000581272067 671880632 /nfs/dbraw/zinc/88/06/32/671880632.db2.gz NUZWAJDADMEZFV-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN Cc1ccnc(NS(=O)(=O)c2ccc(Br)cc2[N+](=O)[O-])n1 ZINC000185698298 672532618 /nfs/dbraw/zinc/53/26/18/672532618.db2.gz GDJFQSZDFQCDPW-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000538756369 673456168 /nfs/dbraw/zinc/45/61/68/673456168.db2.gz XVQBUMLUIWXQQQ-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000542930389 673615904 /nfs/dbraw/zinc/61/59/04/673615904.db2.gz OPOBRVLQZMDINQ-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)cc1C ZINC000544075037 673687147 /nfs/dbraw/zinc/68/71/47/673687147.db2.gz LUXVFKXVTRHHMY-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN Cc1ccn2ncnc2c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000820799820 675389755 /nfs/dbraw/zinc/38/97/55/675389755.db2.gz IXCUMSASHDFBGX-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN Cc1ncc([N+](=O)[O-])n1CC(=O)C1(NC(=O)C(F)(F)F)CCCCC1 ZINC000829100107 675864131 /nfs/dbraw/zinc/86/41/31/675864131.db2.gz JIGQMEIQZKKTTE-UHFFFAOYSA-N 0 2 362.308 2.050 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)c1 ZINC000619466298 676378070 /nfs/dbraw/zinc/37/80/70/676378070.db2.gz KGXVTMWPGRZQPU-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2F)C1 ZINC000830800960 677061291 /nfs/dbraw/zinc/06/12/91/677061291.db2.gz DFSJXEMIEJEHAJ-ZDUSSCGKSA-N 0 2 363.267 2.017 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2O)cc1[N+](=O)[O-] ZINC000777594841 681508336 /nfs/dbraw/zinc/50/83/36/681508336.db2.gz XMOXSGKKXNHALK-UHFFFAOYSA-N 0 2 367.339 2.280 20 5 FEBDLN Cc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cncnc1 ZINC000777650542 681517367 /nfs/dbraw/zinc/51/73/67/681517367.db2.gz HAOIMBGOKVXAIK-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN Cc1c(CNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)cccc1[N+](=O)[O-] ZINC000790060092 682653338 /nfs/dbraw/zinc/65/33/38/682653338.db2.gz GDQXMNBVGQCIGA-LBPRGKRZSA-N 0 2 361.320 2.223 20 5 FEBDLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)C[C@H]2CCCOC2)c1 ZINC000795295072 683036299 /nfs/dbraw/zinc/03/62/99/683036299.db2.gz YPIRDKXHUQAIGF-VIFPVBQESA-N 0 2 366.342 2.365 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000795623055 683074377 /nfs/dbraw/zinc/07/43/77/683074377.db2.gz ACSGPKVZADKEOX-UHFFFAOYSA-N 0 2 353.312 2.312 20 5 FEBDLN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000007325517 539454975 /nfs/dbraw/zinc/45/49/75/539454975.db2.gz QMXBMISUCDIISB-UHFFFAOYSA-N 0 2 361.379 2.288 20 5 FEBDLN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000013849416 539592163 /nfs/dbraw/zinc/59/21/63/539592163.db2.gz LIGNJTHHMRQNPY-UHFFFAOYSA-N 0 2 363.395 2.026 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cc1 ZINC000023390014 539713584 /nfs/dbraw/zinc/71/35/84/539713584.db2.gz BAWYKCFUQZNKAF-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000023393048 539714177 /nfs/dbraw/zinc/71/41/77/539714177.db2.gz FWPLQYWZZDDCBW-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000042714682 540074390 /nfs/dbraw/zinc/07/43/90/540074390.db2.gz IERFSRFZYZXTOP-CYBMUJFWSA-N 0 2 366.399 2.080 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000066247257 541294332 /nfs/dbraw/zinc/29/43/32/541294332.db2.gz PGOIXCFCKSYZAZ-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)nc1C ZINC000066250333 541295436 /nfs/dbraw/zinc/29/54/36/541295436.db2.gz OVGJRSZVTRAESA-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN CCc1cc(N2CCC[C@@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)ncn1 ZINC000112507827 543449628 /nfs/dbraw/zinc/44/96/28/543449628.db2.gz HDCWEEZJRZLJOB-CQSZACIVSA-N 0 2 371.397 2.052 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000119046356 543663333 /nfs/dbraw/zinc/66/33/33/543663333.db2.gz KFLYMUPEJDHTAR-NSHDSACASA-N 0 2 372.428 2.141 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CCOCC2)n[nH]1 ZINC000126913418 543962778 /nfs/dbraw/zinc/96/27/78/543962778.db2.gz OBJAGLWVKWMVDT-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(C2CCOCC2)[nH]n1 ZINC000126913418 543962781 /nfs/dbraw/zinc/96/27/81/543962781.db2.gz OBJAGLWVKWMVDT-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN O=C(OCCCCCO)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000803525581 674248032 /nfs/dbraw/zinc/24/80/32/674248032.db2.gz RVDHPCJWXABXGQ-UHFFFAOYSA-N 0 2 369.761 2.459 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000179393275 327640819 /nfs/dbraw/zinc/64/08/19/327640819.db2.gz GHQPLINRLSXLSF-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1ccc([N+](=O)[O-])cc1O ZINC000188059006 328062885 /nfs/dbraw/zinc/06/28/85/328062885.db2.gz KHBXHAFNIDLKOM-JTQLQIEISA-N 0 2 362.773 2.358 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C(N)=O ZINC000189284348 328139001 /nfs/dbraw/zinc/13/90/01/328139001.db2.gz SLDWHVLIJUHAFI-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C(CC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)N1CCCC1 ZINC000077222179 324982504 /nfs/dbraw/zinc/98/25/04/324982504.db2.gz BJBGEUITDAUSDK-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130499546 326558092 /nfs/dbraw/zinc/55/80/92/326558092.db2.gz HWSLHQYHPACPJW-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N(C)C)nc2)c1C ZINC000152163690 326700532 /nfs/dbraw/zinc/70/05/32/326700532.db2.gz GTQMVWKDZZJBCW-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1O ZINC000157659873 326871393 /nfs/dbraw/zinc/87/13/93/326871393.db2.gz LUTPGDSPPBQEMD-MRXNPFEDSA-N 0 2 369.377 2.394 20 5 FEBDLN COc1ccccc1CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157777989 326875027 /nfs/dbraw/zinc/87/50/27/326875027.db2.gz PLNCKCFMGDOQHH-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN CCc1cnc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)s1 ZINC000266307731 329209910 /nfs/dbraw/zinc/20/99/10/329209910.db2.gz DJZDBKPEBBYWFT-UHFFFAOYSA-N 0 2 371.396 2.186 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000267727542 329352934 /nfs/dbraw/zinc/35/29/34/329352934.db2.gz YCLGTNRVKQDMRX-UHFFFAOYSA-N 0 2 358.401 2.208 20 5 FEBDLN O=C(CC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1)N1CCCC1 ZINC000271248380 329676740 /nfs/dbraw/zinc/67/67/40/329676740.db2.gz GUBKSTSBCBEBDW-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273261621 329850396 /nfs/dbraw/zinc/85/03/96/329850396.db2.gz TWUAFEMAAGJHGX-LBPRGKRZSA-N 0 2 365.386 2.382 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)c([N+](=O)[O-])n1 ZINC000479145544 561182701 /nfs/dbraw/zinc/18/27/01/561182701.db2.gz CHJZKTJFNHIAIM-UHFFFAOYSA-N 0 2 374.382 2.069 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000182172691 547448113 /nfs/dbraw/zinc/44/81/13/547448113.db2.gz ZDLHAZNUYXMGFJ-LLVKDONJSA-N 0 2 357.370 2.316 20 5 FEBDLN Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cnc12 ZINC000183908935 547738049 /nfs/dbraw/zinc/73/80/49/547738049.db2.gz ORPGWALYQGGKKZ-UHFFFAOYSA-N 0 2 368.349 2.348 20 5 FEBDLN COc1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)cc1[N+](=O)[O-] ZINC000485849834 561329651 /nfs/dbraw/zinc/32/96/51/561329651.db2.gz DIAGCZWGQSVDAZ-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN CCc1nc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)sc1C(=O)OC ZINC000486913416 561359393 /nfs/dbraw/zinc/35/93/93/561359393.db2.gz SKKZSIRUFBVHRH-UHFFFAOYSA-N 0 2 351.340 2.358 20 5 FEBDLN CCOc1ccccc1C(=O)NCC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000490592231 561435890 /nfs/dbraw/zinc/43/58/90/561435890.db2.gz ZVMJLBCGYSOIEF-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1ccc([N+](=O)[O-])cc1O)c1ccco1 ZINC000273181205 550488874 /nfs/dbraw/zinc/48/88/74/550488874.db2.gz GNONXVONMWHJTE-LBPRGKRZSA-N 0 2 360.322 2.007 20 5 FEBDLN CC(C)(C)NC(=O)N1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000274776850 550553936 /nfs/dbraw/zinc/55/39/36/550553936.db2.gz JBLZHWRBPQPXJR-UHFFFAOYSA-N 0 2 364.402 2.003 20 5 FEBDLN CC[C@@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919529 550611069 /nfs/dbraw/zinc/61/10/69/550611069.db2.gz LAQYCUJXIFYFTH-RKDXNWHRSA-N 0 2 371.394 2.405 20 5 FEBDLN CC[C@@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000276919529 550611070 /nfs/dbraw/zinc/61/10/70/550611070.db2.gz LAQYCUJXIFYFTH-RKDXNWHRSA-N 0 2 371.394 2.405 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)ccc1Cl ZINC000278423094 550784230 /nfs/dbraw/zinc/78/42/30/550784230.db2.gz RUTLDMBIZLQQBH-JTQLQIEISA-N 0 2 374.762 2.284 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cc([C@H]2CCCOC2)n[nH]1 ZINC000280275053 550975999 /nfs/dbraw/zinc/97/59/99/550975999.db2.gz LFABKFWCBYHRMF-NSHDSACASA-N 0 2 366.399 2.154 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000500314602 561570038 /nfs/dbraw/zinc/57/00/38/561570038.db2.gz WEWOCGZUEJLXNO-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN Cn1cc[nH+]c1C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000502012487 561609923 /nfs/dbraw/zinc/60/99/23/561609923.db2.gz WFKSXIWMHKYXGK-UHFFFAOYSA-N 0 2 365.198 2.114 20 5 FEBDLN CN(Cc1ccccc1N1CCOCC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000503698700 561647047 /nfs/dbraw/zinc/64/70/47/561647047.db2.gz ICVFDNZWZVXWFC-UHFFFAOYSA-N 0 2 371.393 2.409 20 5 FEBDLN O=C(NCCCn1cc(Br)cn1)c1cc(O)ccc1[N+](=O)[O-] ZINC000319176994 553763825 /nfs/dbraw/zinc/76/38/25/553763825.db2.gz JABQZXVGCMYJTF-UHFFFAOYSA-N 0 2 369.175 2.080 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000327698553 553790878 /nfs/dbraw/zinc/79/08/78/553790878.db2.gz WAPWIUUHCSVKAC-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(F)c(F)c1 ZINC000328277077 553793714 /nfs/dbraw/zinc/79/37/14/553793714.db2.gz GNVQIGBUNHFZJK-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN CC(C)(C)OC(=O)C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000330615317 554146600 /nfs/dbraw/zinc/14/66/00/554146600.db2.gz UKUYNYXFSWNKMN-UHFFFAOYSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(-c2cnn(C)c2)n1 ZINC000363311176 555075915 /nfs/dbraw/zinc/07/59/15/555075915.db2.gz RSLKVCMOGUMHRZ-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)cc1[N+](=O)[O-] ZINC000364901565 555431540 /nfs/dbraw/zinc/43/15/40/555431540.db2.gz MGNVVNLYIRRBDL-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C([O-])[C@@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000366935880 555975777 /nfs/dbraw/zinc/97/57/77/555975777.db2.gz LJOKJLJZUDYEHC-FZKQIMNGSA-N 0 2 370.365 2.107 20 5 FEBDLN CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000370366043 556851495 /nfs/dbraw/zinc/85/14/95/556851495.db2.gz IOEOQLUPQHIDGI-LSDHHAIUSA-N 0 2 361.398 2.306 20 5 FEBDLN Cn1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-c2ccccn2)n1 ZINC000371211520 557108100 /nfs/dbraw/zinc/10/81/00/557108100.db2.gz ANVRDAISNKXJCE-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(n2nnc3c2CCCC3)CC1 ZINC000371614631 557240216 /nfs/dbraw/zinc/24/02/16/557240216.db2.gz CZBRAIGVAWSTSB-UHFFFAOYSA-N 0 2 371.397 2.248 20 5 FEBDLN CN1C(=O)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376118148 558129017 /nfs/dbraw/zinc/12/90/17/558129017.db2.gz QVJUXIAXGCCOMN-WMLDXEAASA-N 0 2 373.340 2.141 20 5 FEBDLN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1cccc(O)c1[N+](=O)[O-] ZINC000376278492 558151153 /nfs/dbraw/zinc/15/11/53/558151153.db2.gz MRQQOVOHNJAYOD-MFKMUULPSA-N 0 2 374.353 2.211 20 5 FEBDLN O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000377442474 558341642 /nfs/dbraw/zinc/34/16/42/558341642.db2.gz FAPSAWUHAPKOLS-CYBMUJFWSA-N 0 2 370.365 2.186 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2c3c(nn2C)CCC3)c(C)cc1[N+](=O)[O-] ZINC000414442024 559164129 /nfs/dbraw/zinc/16/41/29/559164129.db2.gz KQJMSHNTTZYNEO-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN C[C@H](NC(=O)N=c1ccc(-c2cnn(C)c2)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000433661419 559885853 /nfs/dbraw/zinc/88/58/53/559885853.db2.gz APRGEIPDEOXQIV-NSHDSACASA-N 0 2 367.369 2.668 20 5 FEBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1cccc2cccnc21 ZINC000436665914 559948278 /nfs/dbraw/zinc/94/82/78/559948278.db2.gz QSHDTMQEZZNODC-UHFFFAOYSA-N 0 2 366.333 2.217 20 5 FEBDLN CC(C)(C)C(=O)Nc1nccnc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000436704431 559949401 /nfs/dbraw/zinc/94/94/01/559949401.db2.gz OWWVHDDVQBOBOC-UHFFFAOYSA-N 0 2 359.342 2.327 20 5 FEBDLN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3O)n2)c1 ZINC000436824768 559953279 /nfs/dbraw/zinc/95/32/79/559953279.db2.gz COUUMICNJVRACI-JTQLQIEISA-N 0 2 368.353 2.280 20 5 FEBDLN COC(=O)[C@](C)(CNC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccccc1 ZINC000436842828 559953880 /nfs/dbraw/zinc/95/38/80/559953880.db2.gz XKFHCUCBGQVUTN-GOSISDBHSA-N 0 2 358.350 2.161 20 5 FEBDLN COC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)c(C)c1 ZINC000436939845 559957111 /nfs/dbraw/zinc/95/71/11/559957111.db2.gz RPWGCGKASAVMSX-OAHLLOKOSA-N 0 2 362.313 2.392 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436953903 559957276 /nfs/dbraw/zinc/95/72/76/559957276.db2.gz SNARCWDXICULMP-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN CNC(=O)c1cc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc2[nH]1 ZINC000436994298 559958996 /nfs/dbraw/zinc/95/89/96/559958996.db2.gz BVILKJBPHKSWGE-UHFFFAOYSA-N 0 2 354.322 2.394 20 5 FEBDLN CC[C@H](C)[C@@H](NS(=O)(=O)c1cn(CC)nc1[N+](=O)[O-])C(F)(F)F ZINC000443929625 560096379 /nfs/dbraw/zinc/09/63/79/560096379.db2.gz QFYALKCJIXXHNM-IONNQARKSA-N 0 2 358.342 2.067 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@@H]1n1cccn1 ZINC000456646497 560527127 /nfs/dbraw/zinc/52/71/27/560527127.db2.gz JMTZYTNYGDHUGW-MAZHCROVSA-N 0 2 374.397 2.424 20 5 FEBDLN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccncc1[N+](=O)[O-] ZINC000461112075 560761791 /nfs/dbraw/zinc/76/17/91/560761791.db2.gz IRXHCKICGZFGKN-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc2onc(C)c2c1 ZINC000462101776 560797189 /nfs/dbraw/zinc/79/71/89/560797189.db2.gz KSLSFWDLLKOBBC-UHFFFAOYSA-N 0 2 364.339 2.249 20 5 FEBDLN COC(=O)Cc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000466963095 560900578 /nfs/dbraw/zinc/90/05/78/560900578.db2.gz HISUIAYMCUNRDC-UHFFFAOYSA-N 0 2 370.408 2.481 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000466974921 560900699 /nfs/dbraw/zinc/90/06/99/560900699.db2.gz NCWSFEIKWXLFEI-UHFFFAOYSA-N 0 2 356.385 2.256 20 5 FEBDLN Cc1cc(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000468600165 560933730 /nfs/dbraw/zinc/93/37/30/560933730.db2.gz RARVINHXSNOZRO-SECBINFHSA-N 0 2 369.337 2.144 20 5 FEBDLN COc1ccc(O)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1 ZINC000469144951 560948302 /nfs/dbraw/zinc/94/83/02/560948302.db2.gz ZVRNVQMZALEFNJ-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCCN(Cc2cscn2)CC1 ZINC000469649767 560960789 /nfs/dbraw/zinc/96/07/89/560960789.db2.gz DWFXYLTYWKACNZ-UHFFFAOYSA-N 0 2 362.411 2.105 20 5 FEBDLN C[C@H](c1cccnc1)N1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000469655361 560960862 /nfs/dbraw/zinc/96/08/62/560960862.db2.gz IVNBFACAHRWQBS-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000470707992 560987870 /nfs/dbraw/zinc/98/78/70/560987870.db2.gz QSZFHZOVFVAXJY-UHFFFAOYSA-N 0 2 359.317 2.280 20 5 FEBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475840270 561106736 /nfs/dbraw/zinc/10/67/36/561106736.db2.gz ZOQKLVYLJPTRFD-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncn(C)n3)cc2)c([N+](=O)[O-])c1 ZINC000545827665 562630981 /nfs/dbraw/zinc/63/09/81/562630981.db2.gz MUGWDPKBBNMVEI-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN O=C([O-])c1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000740221335 600718461 /nfs/dbraw/zinc/71/84/61/600718461.db2.gz PMQPDEDHGDSPAZ-UHFFFAOYSA-N 0 2 369.377 2.251 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739177712 602777182 /nfs/dbraw/zinc/77/71/82/602777182.db2.gz HOFZYRRPCRHGNI-MWLCHTKSSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739177712 602777184 /nfs/dbraw/zinc/77/71/84/602777184.db2.gz HOFZYRRPCRHGNI-MWLCHTKSSA-N 0 2 370.793 2.165 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000609494614 675923608 /nfs/dbraw/zinc/92/36/08/675923608.db2.gz UPNCHGKLAXBPTF-UHFFFAOYSA-N 0 2 353.356 2.127 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1F ZINC000120787945 671935507 /nfs/dbraw/zinc/93/55/07/671935507.db2.gz UODUMEFDMUSMNF-UHFFFAOYSA-N 0 2 367.314 2.278 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC000611294707 676030371 /nfs/dbraw/zinc/03/03/71/676030371.db2.gz UOIDMHHOPDOVKQ-SNVBAGLBSA-N 0 2 364.379 2.446 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(Cl)c1)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000819970487 675328242 /nfs/dbraw/zinc/32/82/42/675328242.db2.gz LRMYJDINCGQAEM-VIFPVBQESA-N 0 2 352.734 2.357 20 5 FEBDLN CCOC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c(C(=O)OCC)c1C ZINC000841007798 680859330 /nfs/dbraw/zinc/85/93/30/680859330.db2.gz RGRBKNCZZIWIDN-RKDXNWHRSA-N 0 2 370.383 2.014 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000769653382 680990249 /nfs/dbraw/zinc/99/02/49/680990249.db2.gz GENWHLZDCUEBPF-UHFFFAOYSA-N 0 2 370.774 2.402 20 5 FEBDLN CC(C)[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(F)(F)F ZINC000786890763 682416753 /nfs/dbraw/zinc/41/67/53/682416753.db2.gz NJLZROAJHSNNIF-JTQLQIEISA-N 0 2 371.293 2.368 20 5 FEBDLN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000791359279 682737757 /nfs/dbraw/zinc/73/77/57/682737757.db2.gz KQONCGPKVGQDCW-SNVBAGLBSA-N 0 2 351.359 2.040 20 5 FEBDLN CC(C)OC(=O)N1CCC(NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000796401708 683159743 /nfs/dbraw/zinc/15/97/43/683159743.db2.gz KCASVTZKKRXMKP-UHFFFAOYSA-N 0 2 351.359 2.040 20 5 FEBDLN NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000031721039 539917159 /nfs/dbraw/zinc/91/71/59/539917159.db2.gz IFZIRLRGWNSLRW-UHFFFAOYSA-N 0 2 355.759 2.148 20 5 FEBDLN O=C(NCCc1cccc([N+](=O)[O-])c1)C1=NN(c2ccccc2)CC1=O ZINC000089302254 542760261 /nfs/dbraw/zinc/76/02/61/542760261.db2.gz QZXJKGXFCNXEQL-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000092546759 542869790 /nfs/dbraw/zinc/86/97/90/542869790.db2.gz MNLCDCVFGVCQNK-MRXNPFEDSA-N 0 2 355.350 2.212 20 5 FEBDLN O=C(CCc1nc(-c2cccnc2)no1)Nc1cc([N+](=O)[O-])ccc1O ZINC000092545890 542869835 /nfs/dbraw/zinc/86/98/35/542869835.db2.gz QODMNJBQTMEXIL-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN COc1cc(F)cc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1 ZINC000093938471 542946476 /nfs/dbraw/zinc/94/64/76/542946476.db2.gz WBJDOBPIMPAYHX-UHFFFAOYSA-N 0 2 358.322 2.360 20 5 FEBDLN O=C(NCc1ccccc1CN1CCCC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000125035989 543857460 /nfs/dbraw/zinc/85/74/60/543857460.db2.gz GENWEJGYDJKAFQ-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000130499774 544153489 /nfs/dbraw/zinc/15/34/89/544153489.db2.gz HWSLHQYHPACPJW-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc3ccccn3n2)cc1[N+](=O)[O-] ZINC000130676003 544160519 /nfs/dbraw/zinc/16/05/19/544160519.db2.gz KUHZEEHNACDQCI-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN Cc1cc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)c(C)o1 ZINC000131034278 544174886 /nfs/dbraw/zinc/17/48/86/544174886.db2.gz PTJXFLSKGHEOOW-UHFFFAOYSA-N 0 2 373.365 2.108 20 5 FEBDLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000142050552 544415557 /nfs/dbraw/zinc/41/55/57/544415557.db2.gz XIHSQFVQDXMLDC-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(c1ccccc1)N1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179415413 327641792 /nfs/dbraw/zinc/64/17/92/327641792.db2.gz RMXGTQWFKBIWOQ-UHFFFAOYSA-N 0 2 369.377 2.289 20 5 FEBDLN O=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000185742487 327930757 /nfs/dbraw/zinc/93/07/57/327930757.db2.gz BBZLYMSKTISSHK-CQSZACIVSA-N 0 2 369.377 2.079 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000194162041 328413662 /nfs/dbraw/zinc/41/36/62/328413662.db2.gz SDJOWESFFRQBJF-LBPRGKRZSA-N 0 2 359.304 2.187 20 5 FEBDLN NC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000047521938 324637109 /nfs/dbraw/zinc/63/71/09/324637109.db2.gz QUNBMPUSLTYITA-UHFFFAOYSA-N 0 2 355.759 2.148 20 5 FEBDLN Cc1ccc([C@H](C)NC(=O)c2c[nH]c3c(cnn3C)c2=O)cc1[N+](=O)[O-] ZINC000119318755 326148839 /nfs/dbraw/zinc/14/88/39/326148839.db2.gz LYGCOBNEIXZNKS-JTQLQIEISA-N 0 2 355.354 2.382 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)ccc1[N+](=O)[O-] ZINC000124754019 326459470 /nfs/dbraw/zinc/45/94/70/326459470.db2.gz LUWKRLBYMOJJGE-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000274322430 329937848 /nfs/dbraw/zinc/93/78/48/329937848.db2.gz DCEXPLWASMBSGX-GFCCVEGCSA-N 0 2 350.371 2.494 20 5 FEBDLN CCCCc1cc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)[nH]n1 ZINC000159942439 545993755 /nfs/dbraw/zinc/99/37/55/545993755.db2.gz YKOHVMCIAWSOBL-UHFFFAOYSA-N 0 2 354.388 2.470 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1C ZINC000175975899 546382930 /nfs/dbraw/zinc/38/29/30/546382930.db2.gz IQGDSZXYFOKZBC-UHFFFAOYSA-N 0 2 368.415 2.164 20 5 FEBDLN CCc1cc(N2CCC(NC(=O)c3ccc([N+](=O)[O-])c(O)c3)CC2)ncn1 ZINC000177189364 546566504 /nfs/dbraw/zinc/56/65/04/546566504.db2.gz OFFOPSAYSRLRSM-UHFFFAOYSA-N 0 2 371.397 2.052 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)cc1[N+](=O)[O-] ZINC000181359125 547300232 /nfs/dbraw/zinc/30/02/32/547300232.db2.gz RKAJRYPKMHVKKC-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN COc1cc(OC)cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000486513883 561349622 /nfs/dbraw/zinc/34/96/22/561349622.db2.gz AWMXBHWDQYQESB-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN COc1ccc(F)cc1CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000492334919 561450936 /nfs/dbraw/zinc/45/09/36/561450936.db2.gz QRLXRQDWAHJFKI-UHFFFAOYSA-N 0 2 358.322 2.360 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1C ZINC000270471027 550275442 /nfs/dbraw/zinc/27/54/42/550275442.db2.gz MKEYQTAMOCGZLD-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000272391857 550443703 /nfs/dbraw/zinc/44/37/03/550443703.db2.gz IYHQXDVPSNTQBW-UHFFFAOYSA-N 0 2 365.367 2.260 20 5 FEBDLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274770399 550553400 /nfs/dbraw/zinc/55/34/00/550553400.db2.gz LXUPTRDGGUUIDE-GFCCVEGCSA-N 0 2 350.371 2.494 20 5 FEBDLN COc1ccc(OC)c2c1CN(C(=O)c1ccc([N+](=O)[O-])c(O)c1)C[C@@H]2O ZINC000279240681 550868575 /nfs/dbraw/zinc/86/85/75/550868575.db2.gz KCEKDRUKOZOMMO-AWEZNQCLSA-N 0 2 374.349 2.007 20 5 FEBDLN COc1ccccc1CN1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000497094468 561497209 /nfs/dbraw/zinc/49/72/09/561497209.db2.gz DURYEBNLLRRXTP-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN O=c1[nH]nc([C@@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)o1 ZINC000285644952 551788617 /nfs/dbraw/zinc/78/86/17/551788617.db2.gz NYJZOGZQIGSBBB-SSDOTTSWSA-N 0 2 359.264 2.069 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])oc1C ZINC000288631777 552188458 /nfs/dbraw/zinc/18/84/58/552188458.db2.gz RRFZXKUPUSVPIU-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CC(C)OCc1nc([C@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])no1 ZINC000292059410 552689387 /nfs/dbraw/zinc/68/93/87/552689387.db2.gz UHOJQVQMKPJOLZ-VIFPVBQESA-N 0 2 350.331 2.099 20 5 FEBDLN CO[C@@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1)c1ccccc1 ZINC000295150992 552963772 /nfs/dbraw/zinc/96/37/72/552963772.db2.gz FFMREJDYDDGBEL-AWEZNQCLSA-N 0 2 351.384 2.428 20 5 FEBDLN COc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1NC(C)=O ZINC000502075567 561611474 /nfs/dbraw/zinc/61/14/74/561611474.db2.gz OJBQUAXWBTZMCM-UHFFFAOYSA-N 0 2 359.338 2.197 20 5 FEBDLN COc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c(OC)c1OC ZINC000504859585 561663275 /nfs/dbraw/zinc/66/32/75/561663275.db2.gz XOLYAINWRSVCHG-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN CCOc1ccc(NC(=O)CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000508388606 561760955 /nfs/dbraw/zinc/76/09/55/561760955.db2.gz TZQWBKWHJVTMIZ-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000510322588 561831543 /nfs/dbraw/zinc/83/15/43/561831543.db2.gz UXLPKFICLIXXMB-CQSZACIVSA-N 0 2 372.377 2.371 20 5 FEBDLN CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000511492120 561870895 /nfs/dbraw/zinc/87/08/95/561870895.db2.gz HXAJKLGKUMNMTH-UHFFFAOYSA-N 0 2 365.292 2.289 20 5 FEBDLN CCOC(=O)c1c[nH]n(C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=N ZINC000364297653 555286956 /nfs/dbraw/zinc/28/69/56/555286956.db2.gz AWEYUJDGTGJWAQ-UHFFFAOYSA-N 0 2 359.386 2.222 20 5 FEBDLN O=C(NCCc1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000512422883 561904291 /nfs/dbraw/zinc/90/42/91/561904291.db2.gz BIVCIZOGRZHCQP-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1oc(=O)n2C ZINC000512786199 561915226 /nfs/dbraw/zinc/91/52/26/561915226.db2.gz WAKATFKJVJEPQA-UHFFFAOYSA-N 0 2 363.351 2.149 20 5 FEBDLN O=C(Nc1ccccn1)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000365005998 555462390 /nfs/dbraw/zinc/46/23/90/555462390.db2.gz DRJCMPAOQKULPT-GFCCVEGCSA-N 0 2 370.365 2.186 20 5 FEBDLN CCc1cc(N2CCC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)ncn1 ZINC000367602005 556094391 /nfs/dbraw/zinc/09/43/91/556094391.db2.gz QYGHWQPDWABZLG-CYBMUJFWSA-N 0 2 371.397 2.052 20 5 FEBDLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000515629768 562017675 /nfs/dbraw/zinc/01/76/75/562017675.db2.gz LCALXZVKDCZNPR-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN CC[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000375804120 558082207 /nfs/dbraw/zinc/08/22/07/558082207.db2.gz BQGHBGOOALBNJG-SUMWQHHRSA-N 0 2 350.371 2.101 20 5 FEBDLN Cc1ccnc(N2CCCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)c1[N+](=O)[O-] ZINC000521631872 562180790 /nfs/dbraw/zinc/18/07/90/562180790.db2.gz NARHZAPWBISSBG-UHFFFAOYSA-N 0 2 357.370 2.108 20 5 FEBDLN CN1C(=O)C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000376118149 558129146 /nfs/dbraw/zinc/12/91/46/558129146.db2.gz QVJUXIAXGCCOMN-YOEHRIQHSA-N 0 2 373.340 2.141 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000422045526 559562486 /nfs/dbraw/zinc/56/24/86/559562486.db2.gz LJMUYXRGDWOKTL-AWEZNQCLSA-N 0 2 361.398 2.211 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274751 559660515 /nfs/dbraw/zinc/66/05/15/559660515.db2.gz ZJJVDGBAMPGNAD-ZBEGNZNMSA-N 0 2 365.386 2.117 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274751 559660516 /nfs/dbraw/zinc/66/05/16/559660516.db2.gz ZJJVDGBAMPGNAD-ZBEGNZNMSA-N 0 2 365.386 2.117 20 5 FEBDLN COCCOCc1ccc(CNC(=O)c2cccc(O)c2[N+](=O)[O-])cc1 ZINC000428284022 559772752 /nfs/dbraw/zinc/77/27/52/559772752.db2.gz WHOKCPQBYIOCSS-UHFFFAOYSA-N 0 2 360.366 2.393 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)c1 ZINC000436480556 559942637 /nfs/dbraw/zinc/94/26/37/559942637.db2.gz YSCCFWWHVRWDNN-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN O=C(Nc1cccnc1N1CCC(CO)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436604514 559946316 /nfs/dbraw/zinc/94/63/16/559946316.db2.gz JNYJQBMQOOYRTO-UHFFFAOYSA-N 0 2 372.381 2.156 20 5 FEBDLN COC(=O)c1ccc(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)c(OC)c1 ZINC000436706917 559949552 /nfs/dbraw/zinc/94/95/52/559949552.db2.gz QIKAEPMQFNPGSE-UHFFFAOYSA-N 0 2 374.349 2.068 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436892427 559955508 /nfs/dbraw/zinc/95/55/08/559955508.db2.gz LRWLMHHTMIBZMN-CQSZACIVSA-N 0 2 373.340 2.365 20 5 FEBDLN CS(=O)(=O)Nc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)ccc1F ZINC000436944285 559957098 /nfs/dbraw/zinc/95/70/98/559957098.db2.gz BJOYLGATIAJBPF-UHFFFAOYSA-N 0 2 369.330 2.063 20 5 FEBDLN COC(=O)c1ccnc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000437317524 559963284 /nfs/dbraw/zinc/96/32/84/559963284.db2.gz IHTPJUPOHQYWDC-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN O=C(NCc1n[nH]c(=O)[nH]1)c1ccccc1Sc1ccccc1[N+](=O)[O-] ZINC000442681960 560054804 /nfs/dbraw/zinc/05/48/04/560054804.db2.gz JDUJUOSZOVHMJU-UHFFFAOYSA-N 0 2 371.378 2.500 20 5 FEBDLN CCC[C@@H](CCCS(C)(=O)=O)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000447538825 560164113 /nfs/dbraw/zinc/16/41/13/560164113.db2.gz DKDWOOPXVOKSDX-NSHDSACASA-N 0 2 358.416 2.480 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NC(C)C)cn1 ZINC000451096907 560287031 /nfs/dbraw/zinc/28/70/31/560287031.db2.gz QHCITCHKIBRULX-UHFFFAOYSA-N 0 2 353.404 2.432 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cnn1[C@@H]1CCOC1 ZINC000451100547 560287197 /nfs/dbraw/zinc/28/71/97/560287197.db2.gz VGTPBIICPVAEOF-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1c2ccccc2C[C@H]1C ZINC000456658463 560527589 /nfs/dbraw/zinc/52/75/89/560527589.db2.gz RLJYRGXCTOGZIU-VXGBXAGGSA-N 0 2 369.377 2.397 20 5 FEBDLN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000456668069 560528064 /nfs/dbraw/zinc/52/80/64/560528064.db2.gz WUSIGFNVKBUHFU-JTQLQIEISA-N 0 2 361.320 2.257 20 5 FEBDLN CC(C)OCCOC1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000456802157 560533328 /nfs/dbraw/zinc/53/33/28/560533328.db2.gz FOGXXLAYQKLLRO-UHFFFAOYSA-N 0 2 352.387 2.347 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@@H]1c1ccccc1 ZINC000456927919 560538762 /nfs/dbraw/zinc/53/87/62/560538762.db2.gz CYEMOSBDOBBWJT-CVEARBPZSA-N 0 2 370.361 2.329 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000468535538 560932428 /nfs/dbraw/zinc/93/24/28/560932428.db2.gz ILZDJMPGPIRAKJ-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN O=C(NCCc1cnn(-c2ccccc2)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469445317 560955674 /nfs/dbraw/zinc/95/56/74/560955674.db2.gz AHEZBYHRDLCUPA-UHFFFAOYSA-N 0 2 352.350 2.459 20 5 FEBDLN O=C(NCc1ccc(Cn2cccn2)cc1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469516512 560957064 /nfs/dbraw/zinc/95/70/64/560957064.db2.gz CYKCABNOYAKBPW-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(c1ccc(NC2CC2)c([N+](=O)[O-])c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535081254 562550632 /nfs/dbraw/zinc/55/06/32/562550632.db2.gz PFLSKHABBKMKAQ-UHFFFAOYSA-N 0 2 372.385 2.013 20 5 FEBDLN Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000569225061 568315617 /nfs/dbraw/zinc/31/56/17/568315617.db2.gz LGNWRLJZSVASPC-VIFPVBQESA-N 0 2 365.777 2.400 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000740095470 602388540 /nfs/dbraw/zinc/38/85/40/602388540.db2.gz BJJCCIVKKAIPNT-UHFFFAOYSA-N 0 2 364.402 2.164 20 5 FEBDLN Cc1c(NC(=O)[C@@H](C)[NH+]2CCC(N(C)C(=O)[O-])CC2)cccc1[N+](=O)[O-] ZINC000738201392 602532147 /nfs/dbraw/zinc/53/21/47/602532147.db2.gz CRNYJOMCVQKIKM-GFCCVEGCSA-N 0 2 364.402 2.304 20 5 FEBDLN C[C@H]1C[N@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739179674 602794455 /nfs/dbraw/zinc/79/44/55/602794455.db2.gz NDHLUAGIEDIJAP-GXSJLCMTSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC[C@H]1NC(=O)[O-] ZINC000739179674 602794457 /nfs/dbraw/zinc/79/44/57/602794457.db2.gz NDHLUAGIEDIJAP-GXSJLCMTSA-N 0 2 370.793 2.165 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830531041 604215956 /nfs/dbraw/zinc/21/59/56/604215956.db2.gz AUFJVYMUCAFNKU-QWHCGFSZSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[O-])C1 ZINC000830531041 604215959 /nfs/dbraw/zinc/21/59/59/604215959.db2.gz AUFJVYMUCAFNKU-QWHCGFSZSA-N 0 2 364.402 2.210 20 5 FEBDLN C[C@H]([C@H](C)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])[NH+]1CCOCC1 ZINC000827767464 604263220 /nfs/dbraw/zinc/26/32/20/604263220.db2.gz APNJKVFRBWNMMJ-VHSXEESVSA-N 0 2 357.794 2.468 20 5 FEBDLN Cc1cc(C)cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2-c2nn[nH]n2)c1 ZINC000822197425 607154336 /nfs/dbraw/zinc/15/43/36/607154336.db2.gz AUYKISXVIYZNIN-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN CS(=O)(=O)CCc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC000560598308 674602302 /nfs/dbraw/zinc/60/23/02/674602302.db2.gz CQYSCCLTQZWENC-UHFFFAOYSA-N 0 2 364.379 2.140 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000572775537 671043393 /nfs/dbraw/zinc/04/33/93/671043393.db2.gz NYZZNNWDNBKBHZ-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN CCn1nc(C)c(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1C ZINC000608979699 675908152 /nfs/dbraw/zinc/90/81/52/675908152.db2.gz REGHKLDUPBEHSQ-UHFFFAOYSA-N 0 2 356.379 2.046 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nc3cc(Cl)ccn3n2)ccc1[N+](=O)[O-] ZINC000578380756 671661395 /nfs/dbraw/zinc/66/13/95/671661395.db2.gz QPRIROJWCILQCQ-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN CO[C@H](CS(=O)(=O)Nc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000579230661 671721187 /nfs/dbraw/zinc/72/11/87/671721187.db2.gz RAPDNXKXHITSSY-CQSZACIVSA-N 0 2 351.384 2.310 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)cs1 ZINC000119994024 671914656 /nfs/dbraw/zinc/91/46/56/671914656.db2.gz LZIFBXLUEHBIJI-UHFFFAOYSA-N 0 2 351.369 2.038 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(C)c([N+](=O)[O-])cc1C ZINC000591258529 672662510 /nfs/dbraw/zinc/66/25/10/672662510.db2.gz NSXRKPOLPSDFKX-UHFFFAOYSA-N 0 2 367.383 2.436 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000538753887 673455742 /nfs/dbraw/zinc/45/57/42/673455742.db2.gz NCSAIEOZIFQMTR-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1cc(Cl)cc(Cl)c1O ZINC000539930164 673514028 /nfs/dbraw/zinc/51/40/28/673514028.db2.gz JDQFWEMGRBUKFT-UHFFFAOYSA-N 0 2 358.137 2.408 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1ncn(C(C)(C)C)n1 ZINC000542216420 673567351 /nfs/dbraw/zinc/56/73/51/673567351.db2.gz LAXOTUUPKVZLIY-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000543868862 673675828 /nfs/dbraw/zinc/67/58/28/673675828.db2.gz FCIFAWQNTRHJFP-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)cc1[N+](=O)[O-] ZINC000742026846 673704203 /nfs/dbraw/zinc/70/42/03/673704203.db2.gz HPQCAAUYFRCQGO-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000818331704 675215050 /nfs/dbraw/zinc/21/50/50/675215050.db2.gz XQLQEOIXWSBHEF-YMTOWFKASA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000818331704 675215053 /nfs/dbraw/zinc/21/50/53/675215053.db2.gz XQLQEOIXWSBHEF-YMTOWFKASA-N 0 2 355.778 2.372 20 5 FEBDLN COc1ncc(C)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619467346 676378249 /nfs/dbraw/zinc/37/82/49/676378249.db2.gz BKJGNUKQFYFTBT-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN COCc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 ZINC000619506907 676382486 /nfs/dbraw/zinc/38/24/86/676382486.db2.gz FUXZZPHDGJWVSN-UHFFFAOYSA-N 0 2 359.385 2.007 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000760364197 680684347 /nfs/dbraw/zinc/68/43/47/680684347.db2.gz ZAFHPFGJWGEWPH-UHFFFAOYSA-N 0 2 371.346 2.266 20 5 FEBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912489493 685384020 /nfs/dbraw/zinc/38/40/20/685384020.db2.gz PMCXWMNGCMFMKI-NSHDSACASA-N 0 2 361.320 2.399 20 5 FEBDLN CO[C@@H](C)c1nsc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000788215358 682511962 /nfs/dbraw/zinc/51/19/62/682511962.db2.gz VHUFXBSARMEMNP-QMMMGPOBSA-N 0 2 358.401 2.263 20 5 FEBDLN COc1nn(C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000788756614 682555985 /nfs/dbraw/zinc/55/59/85/682555985.db2.gz NMHYRZABYOWPTC-UHFFFAOYSA-N 0 2 360.779 2.100 20 5 FEBDLN CCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)cn1 ZINC000790394360 682673491 /nfs/dbraw/zinc/67/34/91/682673491.db2.gz RQWVAFOEQAKNPX-UHFFFAOYSA-N 0 2 369.359 2.137 20 5 FEBDLN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000856376494 682772153 /nfs/dbraw/zinc/77/21/53/682772153.db2.gz NEDOBIHCIMNTMW-JTQLQIEISA-N 0 2 353.375 2.286 20 5 FEBDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])cc2F)c1 ZINC000054130016 540570725 /nfs/dbraw/zinc/57/07/25/540570725.db2.gz NUKKKCKWUKPJDQ-UHFFFAOYSA-N 0 2 368.342 2.485 20 5 FEBDLN COC(=O)Cc1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000055581013 540660933 /nfs/dbraw/zinc/66/09/33/540660933.db2.gz UICSTOGJZINPOF-UHFFFAOYSA-N 0 2 364.379 2.420 20 5 FEBDLN COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1NC(C)=O ZINC000055616162 540664002 /nfs/dbraw/zinc/66/40/02/540664002.db2.gz PAIHMIHXEZKDNR-UHFFFAOYSA-N 0 2 365.367 2.363 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc3c(c2)C(=O)NC3)cc1C ZINC000058497007 540845859 /nfs/dbraw/zinc/84/58/59/540845859.db2.gz BJXVSLACERCOTJ-UHFFFAOYSA-N 0 2 361.379 2.256 20 5 FEBDLN O=C(Nc1ccccc1CN1C(=O)CCC1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000063324333 541164617 /nfs/dbraw/zinc/16/46/17/541164617.db2.gz VIQHDJWDPIYWIQ-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN CC(C)n1c(CNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc32)n[nH]c1=S ZINC000066640882 541353542 /nfs/dbraw/zinc/35/35/42/541353542.db2.gz CXSQFUHGFZHSED-UHFFFAOYSA-N 0 2 361.387 2.236 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000075923131 542215230 /nfs/dbraw/zinc/21/52/30/542215230.db2.gz RXDOVGAPEOZBSU-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FEBDLN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000124222838 543808112 /nfs/dbraw/zinc/80/81/12/543808112.db2.gz PQLWQFQEGZJLIC-UHFFFAOYSA-N 0 2 358.276 2.325 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)Nc1nc2ccccn2n1 ZINC000130694937 544161394 /nfs/dbraw/zinc/16/13/94/544161394.db2.gz GUWRXAIGAIKZGW-UHFFFAOYSA-N 0 2 353.747 2.092 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c(Cl)c1 ZINC000130757064 544163817 /nfs/dbraw/zinc/16/38/17/544163817.db2.gz DRICFLRQDWUORA-UHFFFAOYSA-N 0 2 353.747 2.320 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c(Cl)c1 ZINC000130757064 544163818 /nfs/dbraw/zinc/16/38/18/544163818.db2.gz DRICFLRQDWUORA-UHFFFAOYSA-N 0 2 353.747 2.320 20 5 FEBDLN O=C(CNC(=O)c1cc2ccccc2[nH]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000135342505 544342528 /nfs/dbraw/zinc/34/25/28/544342528.db2.gz TVRQTWMMJIANDP-UHFFFAOYSA-N 0 2 354.322 2.150 20 5 FEBDLN CN1C(=O)C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000152598150 544672930 /nfs/dbraw/zinc/67/29/30/544672930.db2.gz HTXNOJYMWVYEJM-SUMWQHHRSA-N 0 2 373.340 2.141 20 5 FEBDLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000152912294 544710564 /nfs/dbraw/zinc/71/05/64/544710564.db2.gz KNTJXVIZZGPEBV-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000803101189 674222445 /nfs/dbraw/zinc/22/24/45/674222445.db2.gz WODDUEQNPSVGBC-PLNGDYQASA-N 0 2 351.359 2.111 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)nc2c1cccc2F ZINC000183592183 327825679 /nfs/dbraw/zinc/82/56/79/327825679.db2.gz VQWUBABHSLUTAI-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000191564216 328271598 /nfs/dbraw/zinc/27/15/98/328271598.db2.gz BXAQGNGWFHDFQE-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=C(CNC(=O)c1cc([N+](=O)[O-])ccc1O)Nc1ccc(F)c(F)c1F ZINC000194744307 328438143 /nfs/dbraw/zinc/43/81/43/328438143.db2.gz YLJLJFMGDWWWDF-UHFFFAOYSA-N 0 2 369.255 2.086 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(OCC(F)F)n2)cc1 ZINC000119683261 326187689 /nfs/dbraw/zinc/18/76/89/326187689.db2.gz UCKSCYRPAZIPFW-UHFFFAOYSA-N 0 2 359.310 2.435 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(F)F)s1 ZINC000151410803 326681758 /nfs/dbraw/zinc/68/17/58/326681758.db2.gz PYISQSMPROCWNM-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000156321884 326826477 /nfs/dbraw/zinc/82/64/77/326826477.db2.gz PTJAVPWJFCHUSO-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)c(F)c1 ZINC000172315851 327195066 /nfs/dbraw/zinc/19/50/66/327195066.db2.gz BGCYDJQSGXHILX-UHFFFAOYSA-N 0 2 359.360 2.064 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1[N+](=O)[O-] ZINC000172315873 327195070 /nfs/dbraw/zinc/19/50/70/327195070.db2.gz FRFDFEGYWBHTAG-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN O=C(CSc1nnnn1C1CCCC1)Nc1cc([N+](=O)[O-])ccc1O ZINC000270377575 329595265 /nfs/dbraw/zinc/59/52/65/329595265.db2.gz BCWIIYVDWPFYSU-UHFFFAOYSA-N 0 2 364.387 2.133 20 5 FEBDLN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000271323036 329683767 /nfs/dbraw/zinc/68/37/67/329683767.db2.gz XSGOYHJUJZVSCS-GFCCVEGCSA-N 0 2 365.386 2.382 20 5 FEBDLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274770402 329978566 /nfs/dbraw/zinc/97/85/66/329978566.db2.gz LXUPTRDGGUUIDE-LBPRGKRZSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1nnc([C@H]2CC23CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC3)o1 ZINC000367240120 330234759 /nfs/dbraw/zinc/23/47/59/330234759.db2.gz WCORPZWYPIOADO-CYBMUJFWSA-N 0 2 358.354 2.402 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000477715308 561151911 /nfs/dbraw/zinc/15/19/11/561151911.db2.gz XNEJHBDFUAPWNZ-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN COCCN(C)c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c[nH+]1 ZINC000478906160 561177762 /nfs/dbraw/zinc/17/77/62/561177762.db2.gz GMGJWGAKSKXOQX-HYXAFXHYSA-N 0 2 358.354 2.336 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000171476790 546211149 /nfs/dbraw/zinc/21/11/49/546211149.db2.gz QSBNIIQMADPVBJ-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000179500732 546966550 /nfs/dbraw/zinc/96/65/50/546966550.db2.gz GGLVKQUJUHIAMH-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1ncn(-c2ccccc2)n1 ZINC000181364038 547301047 /nfs/dbraw/zinc/30/10/47/547301047.db2.gz WNTDWIYUXMCYKG-UHFFFAOYSA-N 0 2 373.394 2.160 20 5 FEBDLN O=C(NCc1ccccc1C[NH+]1CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000194740887 548525118 /nfs/dbraw/zinc/52/51/18/548525118.db2.gz DJFSTVLBFGJWDI-UHFFFAOYSA-N 0 2 371.393 2.063 20 5 FEBDLN CCc1nc(NC(=O)c2cccc(O)c2[N+](=O)[O-])sc1C(=O)OC ZINC000486929282 561359765 /nfs/dbraw/zinc/35/97/65/561359765.db2.gz AEQCDUPJLCXTOU-UHFFFAOYSA-N 0 2 351.340 2.358 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)[C@@H]1COc2ccccc2O1 ZINC000490362840 561431750 /nfs/dbraw/zinc/43/17/50/561431750.db2.gz GRUPSANSAPTTOU-AWEZNQCLSA-N 0 2 367.321 2.158 20 5 FEBDLN C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263119568 549879017 /nfs/dbraw/zinc/87/90/17/549879017.db2.gz FCBFLXIQTIGCSH-WCQYABFASA-N 0 2 358.354 2.106 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000271579938 550387362 /nfs/dbraw/zinc/38/73/62/550387362.db2.gz RWTVJRCSIQRDOF-ZDUSSCGKSA-N 0 2 370.365 2.186 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000272400093 550444071 /nfs/dbraw/zinc/44/40/71/550444071.db2.gz JBQYJWJPXZVWIC-UHFFFAOYSA-N 0 2 362.314 2.373 20 5 FEBDLN O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccc([N+](=O)[O-])cc1O ZINC000274688850 550549442 /nfs/dbraw/zinc/54/94/42/550549442.db2.gz PEVXJOIIRVZALP-UHFFFAOYSA-N 0 2 373.365 2.183 20 5 FEBDLN CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000274893399 550562926 /nfs/dbraw/zinc/56/29/26/550562926.db2.gz RYJPJRJPCKZEEM-UHFFFAOYSA-N 0 2 358.276 2.331 20 5 FEBDLN CO[C@H](C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(O)cc1 ZINC000496057633 561492106 /nfs/dbraw/zinc/49/21/06/561492106.db2.gz ZJDVZWSJIGIXEL-AWEZNQCLSA-N 0 2 369.337 2.412 20 5 FEBDLN O=C(CCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])N1Cc2ccccc2C1 ZINC000497732492 561507370 /nfs/dbraw/zinc/50/73/70/561507370.db2.gz ZCILCBBHTRZJER-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=c1[nH]nc([C@H]2CCCN(c3cc(C(F)(F)F)ncc3[N+](=O)[O-])C2)o1 ZINC000285644955 551788612 /nfs/dbraw/zinc/78/86/12/551788612.db2.gz NYJZOGZQIGSBBB-ZETCQYMHSA-N 0 2 359.264 2.069 20 5 FEBDLN CN(CCc1ccccc1[N+](=O)[O-])C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000288369332 552142109 /nfs/dbraw/zinc/14/21/09/552142109.db2.gz OOHNHRHQEXQVPS-UHFFFAOYSA-N 0 2 361.320 2.053 20 5 FEBDLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291090417 552585674 /nfs/dbraw/zinc/58/56/74/552585674.db2.gz KRHCXXPWYSHRQO-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN COc1cc(NCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc(OC)c1 ZINC000505447259 561671227 /nfs/dbraw/zinc/67/12/27/561671227.db2.gz DVNWIVCAPIIVFE-UHFFFAOYSA-N 0 2 361.354 2.160 20 5 FEBDLN O=C(NCCNC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000508390528 561760991 /nfs/dbraw/zinc/76/09/91/561760991.db2.gz FYAUALNOZUYNTD-UHFFFAOYSA-N 0 2 363.757 2.114 20 5 FEBDLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000510098406 561824989 /nfs/dbraw/zinc/82/49/89/561824989.db2.gz HLFFSKKSNGIOOO-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN O=C(Nc1ccccn1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000364378865 555302484 /nfs/dbraw/zinc/30/24/84/555302484.db2.gz BSWXOFJCSPHUKM-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000364782696 555401693 /nfs/dbraw/zinc/40/16/93/555401693.db2.gz IPIGRZDRWSFXGV-UHFFFAOYSA-N 0 2 365.386 2.383 20 5 FEBDLN CC1(c2cc(N3CCN(C(=O)c4ccc([N+](=O)[O-])c(O)c4)CC3)n[nH]2)CC1 ZINC000364972108 555453410 /nfs/dbraw/zinc/45/34/10/555453410.db2.gz MUYCQTUGCOZHAG-UHFFFAOYSA-N 0 2 371.397 2.037 20 5 FEBDLN Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000365782118 555666572 /nfs/dbraw/zinc/66/65/72/555666572.db2.gz MIGOLTFPAAYBET-UHFFFAOYSA-N 0 2 373.756 2.424 20 5 FEBDLN CN(C(=O)[C@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1)c1ccccc1 ZINC000367527624 556074446 /nfs/dbraw/zinc/07/44/46/556074446.db2.gz QLJKLTYXAWYEMJ-ZDUSSCGKSA-N 0 2 369.377 2.426 20 5 FEBDLN O=C(Nc1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCCc2cn[nH]c21 ZINC000371229788 557113873 /nfs/dbraw/zinc/11/38/73/557113873.db2.gz NFHWUUUTEDIEHJ-GFCCVEGCSA-N 0 2 353.342 2.162 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnccc1-n1cccn1 ZINC000518062229 562103536 /nfs/dbraw/zinc/10/35/36/562103536.db2.gz PYONSSOSNULKQO-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=C(NC[C@H]1COC2(CCCCCC2)O1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377596621 558373520 /nfs/dbraw/zinc/37/35/20/558373520.db2.gz ZWHYRDAWYXTSRE-ZDUSSCGKSA-N 0 2 350.371 2.496 20 5 FEBDLN CN1CCC(=O)Nc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)ccc21 ZINC000378418499 558552098 /nfs/dbraw/zinc/55/20/98/558552098.db2.gz QKZBKYSQCJUELO-UHFFFAOYSA-N 0 2 356.338 2.331 20 5 FEBDLN O=C(CCc1nnc(-c2ccccn2)o1)Nc1cc([N+](=O)[O-])ccc1O ZINC000378432141 558555932 /nfs/dbraw/zinc/55/59/32/558555932.db2.gz WOLSXMFESABPMC-UHFFFAOYSA-N 0 2 355.310 2.317 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000523729014 562218639 /nfs/dbraw/zinc/21/86/39/562218639.db2.gz WMKCDCVQFVZYMD-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c(C)cc1[N+](=O)[O-] ZINC000414447856 559164393 /nfs/dbraw/zinc/16/43/93/559164393.db2.gz YFQJHSLVRBQQLD-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1[N+](=O)[O-] ZINC000435720589 559928840 /nfs/dbraw/zinc/92/88/40/559928840.db2.gz YZCGJMJWPCJCJL-UHFFFAOYSA-N 0 2 350.278 2.446 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCO[C@H](COc2ccccc2)C1 ZINC000436522331 559944164 /nfs/dbraw/zinc/94/41/64/559944164.db2.gz KYZAJEHWFRSPGC-HNNXBMFYSA-N 0 2 358.350 2.220 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1NS(C)(=O)=O ZINC000436636085 559947388 /nfs/dbraw/zinc/94/73/88/559947388.db2.gz XCXJNIGHQMMFKZ-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC000436636239 559947396 /nfs/dbraw/zinc/94/73/96/559947396.db2.gz YCXGSWFGMQJVNO-UHFFFAOYSA-N 0 2 350.352 2.097 20 5 FEBDLN CC(=O)c1ccc(O)c(NC(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)c1 ZINC000436863836 559954716 /nfs/dbraw/zinc/95/47/16/559954716.db2.gz WPZFCWKPYQBXBM-UHFFFAOYSA-N 0 2 367.321 2.336 20 5 FEBDLN COC[C@]1(CNC(=O)c2ccc([N+](=O)[O-])cc2O)OCCc2ccccc21 ZINC000436933478 559956933 /nfs/dbraw/zinc/95/69/33/559956933.db2.gz UFVZNVSTTNODBC-IBGZPJMESA-N 0 2 372.377 2.145 20 5 FEBDLN CN(CCn1cc(Br)cn1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436937408 559956968 /nfs/dbraw/zinc/95/69/68/559956968.db2.gz IHXGIJXWQOOOBM-UHFFFAOYSA-N 0 2 369.175 2.032 20 5 FEBDLN CN(C)C(=O)COc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436970627 559957928 /nfs/dbraw/zinc/95/79/28/559957928.db2.gz FHTMSCXODPFLNM-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1ccc([N+](=O)[O-])cc1O ZINC000436979172 559958208 /nfs/dbraw/zinc/95/82/08/559958208.db2.gz JQQVLEPSOMJVEE-UHFFFAOYSA-N 0 2 361.398 2.211 20 5 FEBDLN Cc1cc(N2CCNC2=O)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000443028889 560066764 /nfs/dbraw/zinc/06/67/64/560066764.db2.gz PWNULFNETWYWRQ-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(OCCO)c(C)c2)cc1[N+](=O)[O-] ZINC000466960604 560900484 /nfs/dbraw/zinc/90/04/84/560900484.db2.gz XHMDBZJOKYZVCH-UHFFFAOYSA-N 0 2 372.424 2.445 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1F ZINC000474300781 561070642 /nfs/dbraw/zinc/07/06/42/561070642.db2.gz AJJZHZASBIZKJJ-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)cc1[N+](=O)[O-] ZINC000474431248 561073865 /nfs/dbraw/zinc/07/38/65/561073865.db2.gz HXKOXOVJVGSXQF-UHFFFAOYSA-N 0 2 354.388 2.326 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C ZINC000476393273 561118297 /nfs/dbraw/zinc/11/82/97/561118297.db2.gz QNMLIYSNMDTVBU-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000476513956 561121389 /nfs/dbraw/zinc/12/13/89/561121389.db2.gz PDXNLYJDLMCZPT-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)ccc1[N+](=O)[O-] ZINC000532948841 562493468 /nfs/dbraw/zinc/49/34/68/562493468.db2.gz DATJXTYECNKQPN-UHFFFAOYSA-N 0 2 350.278 2.446 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)cc1[N+](=O)[O-] ZINC000534614278 562538289 /nfs/dbraw/zinc/53/82/89/562538289.db2.gz PUCFVBISQFQUOJ-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN O=C(CNC(=O)c1cccc(O)c1[N+](=O)[O-])Nc1ccc(F)c(F)c1F ZINC000536841690 562581277 /nfs/dbraw/zinc/58/12/77/562581277.db2.gz UCBKSHBDGIHFBI-UHFFFAOYSA-N 0 2 369.255 2.086 20 5 FEBDLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000550120386 562643011 /nfs/dbraw/zinc/64/30/11/562643011.db2.gz OUCXWXJYZFJITF-UHFFFAOYSA-N 0 2 369.337 2.411 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCO2 ZINC000542012167 568651624 /nfs/dbraw/zinc/65/16/24/568651624.db2.gz OXXPTAHPPQJZFA-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC([C@H](C)NC(=O)[O-])CC1 ZINC000740175912 602449496 /nfs/dbraw/zinc/44/94/96/602449496.db2.gz VBTAPQIQEYVJKE-LBPRGKRZSA-N 0 2 364.402 2.210 20 5 FEBDLN O=C([O-])NC1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000740559206 603063254 /nfs/dbraw/zinc/06/32/54/603063254.db2.gz YVBKGHRKLJCBIZ-UHFFFAOYSA-N 0 2 373.369 2.089 20 5 FEBDLN Cc1nn(C[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)c(C)c1[N+](=O)[O-] ZINC000830870223 603494047 /nfs/dbraw/zinc/49/40/47/603494047.db2.gz GWWZIAYYUPTRQC-UHFFFAOYSA-N 0 2 351.407 2.220 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830137970 603728399 /nfs/dbraw/zinc/72/83/99/603728399.db2.gz ISJYJZWGEYDPBK-XHDPSFHLSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)[O-] ZINC000830137970 603728401 /nfs/dbraw/zinc/72/84/01/603728401.db2.gz ISJYJZWGEYDPBK-XHDPSFHLSA-N 0 2 364.402 2.210 20 5 FEBDLN C[C@@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000828488399 604270753 /nfs/dbraw/zinc/27/07/53/604270753.db2.gz UXIUGPSWWPLGFV-BMIGLBTASA-N 0 2 369.805 2.103 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@@H](NC(=O)[O-])C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000833956187 605817224 /nfs/dbraw/zinc/81/72/24/605817224.db2.gz XUEBBSOIKQQRCQ-HUUCEWRRSA-N 0 2 359.386 2.054 20 5 FEBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2nccs2)cc([N+](=O)[O-])c1C ZINC000609719926 675934413 /nfs/dbraw/zinc/93/44/13/675934413.db2.gz CPWOCJOMBGKDDA-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccncc3)ns2)cs1 ZINC000120149814 671918176 /nfs/dbraw/zinc/91/81/76/671918176.db2.gz UCSUZEGOHCPWAN-UHFFFAOYSA-N 0 2 369.409 2.371 20 5 FEBDLN C[C@H](NS(=O)(=O)c1cccc(F)c1[N+](=O)[O-])c1nc(C(C)(C)C)no1 ZINC000174041854 672357325 /nfs/dbraw/zinc/35/73/25/672357325.db2.gz ZZKMPPQQQQLRQT-QMMMGPOBSA-N 0 2 372.378 2.454 20 5 FEBDLN Cc1c(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)coc1C(=O)N(C)C ZINC000592350591 672790186 /nfs/dbraw/zinc/79/01/86/672790186.db2.gz WOCXQJSNABHRGM-UHFFFAOYSA-N 0 2 367.383 2.307 20 5 FEBDLN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000593820322 672995299 /nfs/dbraw/zinc/99/52/99/672995299.db2.gz SNXFEIDDHVROCM-UHFFFAOYSA-N 0 2 350.371 2.494 20 5 FEBDLN CC(C)(C)OC(=O)CN(CC1CC1)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000593821331 672995334 /nfs/dbraw/zinc/99/53/34/672995334.db2.gz NZHMNFRNVIBNQX-UHFFFAOYSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])ccc1OCCO ZINC000542984345 673619632 /nfs/dbraw/zinc/61/96/32/673619632.db2.gz HETACQFMAPZZLW-UHFFFAOYSA-N 0 2 366.395 2.384 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cn(C)nc1C(C)C ZINC000619468407 676378456 /nfs/dbraw/zinc/37/84/56/676378456.db2.gz NQQVBCUYVRAKEJ-UHFFFAOYSA-N 0 2 354.388 2.261 20 5 FEBDLN Cc1sc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000830832392 677063874 /nfs/dbraw/zinc/06/38/74/677063874.db2.gz DYMFLGKWMVQOEE-LBPRGKRZSA-N 0 2 365.333 2.248 20 5 FEBDLN CCOC(=O)N[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(C)C ZINC000753797673 680315499 /nfs/dbraw/zinc/31/54/99/680315499.db2.gz KJGHIZUIWVRQGQ-NSHDSACASA-N 0 2 353.375 2.191 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1Cl ZINC000843873366 681023292 /nfs/dbraw/zinc/02/32/92/681023292.db2.gz NIFOTAVGQMHOCN-UHFFFAOYSA-N 0 2 365.777 2.400 20 5 FEBDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(N)c([N+](=O)[O-])c1 ZINC000785482168 682301756 /nfs/dbraw/zinc/30/17/56/682301756.db2.gz SBCSRTHEQPGXQI-UHFFFAOYSA-N 0 2 371.396 2.134 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000861507805 683425658 /nfs/dbraw/zinc/42/56/58/683425658.db2.gz HWKQRMLHCBQJOH-QMMMGPOBSA-N 0 2 352.734 2.357 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000007323168 539455207 /nfs/dbraw/zinc/45/52/07/539455207.db2.gz TWFHHMSXHZGWSY-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC ZINC000055635973 540666724 /nfs/dbraw/zinc/66/67/24/540666724.db2.gz SMIWTJJRRDDYHH-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])nc1C ZINC000066250360 541295425 /nfs/dbraw/zinc/29/54/25/541295425.db2.gz ZICOSZOVVWQLOU-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1CC(C)C ZINC000066249969 541295485 /nfs/dbraw/zinc/29/54/85/541295485.db2.gz COCVGTZMUQGUMN-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000072890462 541889149 /nfs/dbraw/zinc/88/91/49/541889149.db2.gz ZIQMDQXNTJZIMA-UHFFFAOYSA-N 0 2 357.413 2.984 20 5 FEBDLN O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183446008 327818358 /nfs/dbraw/zinc/81/83/58/327818358.db2.gz DPVOSQXFWNXCNZ-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(Nc1ccccc1C[NH+]1CCOCC1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183446244 327818402 /nfs/dbraw/zinc/81/84/02/327818402.db2.gz DODWYYNOBUCXND-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2[O-])cn1 ZINC000184681305 327878546 /nfs/dbraw/zinc/87/85/46/327878546.db2.gz SGDUIIGVMUPNJB-UHFFFAOYSA-N 0 2 353.338 2.120 20 5 FEBDLN Cn1c(CCNC(=O)c2ccc([N+](=O)[O-])cc2O)nc2c1cccc2F ZINC000184767258 327882576 /nfs/dbraw/zinc/88/25/76/327882576.db2.gz OKIWQEOYRIBQCN-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN COc1ccccc1N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000188031494 328061646 /nfs/dbraw/zinc/06/16/46/328061646.db2.gz MNNNPYKCZUHILZ-LBPRGKRZSA-N 0 2 357.366 2.318 20 5 FEBDLN O=C([O-])c1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)cc1 ZINC000013317190 324375508 /nfs/dbraw/zinc/37/55/08/324375508.db2.gz HBFRJHSGUDJMIK-UHFFFAOYSA-N 0 2 366.333 2.409 20 5 FEBDLN Cc1ccsc1[C@H](CO)NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000125340019 326469951 /nfs/dbraw/zinc/46/99/51/326469951.db2.gz DQPQQCQFGLLJAQ-JTQLQIEISA-N 0 2 360.388 2.116 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(-c2cccnc2)[nH]n1 ZINC000151434668 326682335 /nfs/dbraw/zinc/68/23/35/326682335.db2.gz KGOHUBNEJBFUQJ-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[NH+]1CCC(C(=O)[O-])CC1 ZINC000262642294 328878331 /nfs/dbraw/zinc/87/83/31/328878331.db2.gz JDJXFSQNYWQRLN-SECBINFHSA-N 0 2 355.778 2.372 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000267552416 329337629 /nfs/dbraw/zinc/33/76/29/329337629.db2.gz YHEDDZCYDXQTQW-OAHLLOKOSA-N 0 2 364.398 2.491 20 5 FEBDLN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000273213322 329845901 /nfs/dbraw/zinc/84/59/01/329845901.db2.gz NWCKVWSGVRFPMN-JOYOIKCWSA-N 0 2 353.400 2.187 20 5 FEBDLN Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000157573644 545755993 /nfs/dbraw/zinc/75/59/93/545755993.db2.gz DRTYSTHMQOHSKT-UHFFFAOYSA-N 0 2 369.377 2.207 20 5 FEBDLN COc1ccc([C@H](CNC(=O)c2n[nH]cc2[N+](=O)[O-])[NH+]2CCCCC2)cc1 ZINC000158979034 545910542 /nfs/dbraw/zinc/91/05/42/545910542.db2.gz SCSPOEFZKJMKRF-HNNXBMFYSA-N 0 2 373.413 2.284 20 5 FEBDLN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCCO)cc2)c1C ZINC000481603572 561237095 /nfs/dbraw/zinc/23/70/95/561237095.db2.gz IVSILCHWBGPMIP-UHFFFAOYSA-N 0 2 366.395 2.384 20 5 FEBDLN O=[N+]([O-])c1ccc2[nH]nc(NS(=O)(=O)c3ccc4c(c3)OCO4)c2c1 ZINC000481939568 561245917 /nfs/dbraw/zinc/24/59/17/561245917.db2.gz BKGSNLPICMOKHH-UHFFFAOYSA-N 0 2 362.323 2.001 20 5 FEBDLN Cc1nnc([C@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)c2ccccc2)[nH]1 ZINC000179476120 546962398 /nfs/dbraw/zinc/96/23/98/546962398.db2.gz OLZHOLZEPTWBDR-OAHLLOKOSA-N 0 2 353.338 2.246 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(N(C)C)n1 ZINC000181101010 547250493 /nfs/dbraw/zinc/25/04/93/547250493.db2.gz FQMAOXXKJXUFDH-UHFFFAOYSA-N 0 2 350.400 2.419 20 5 FEBDLN O=[N+]([O-])c1ccccc1CCS(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000182723078 547541152 /nfs/dbraw/zinc/54/11/52/547541152.db2.gz KIRBOLNQVPGLEE-UHFFFAOYSA-N 0 2 369.424 2.108 20 5 FEBDLN O=C(c1cc(F)c(O)c(F)c1)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000183638649 547693114 /nfs/dbraw/zinc/69/31/14/547693114.db2.gz FTXWMKPDSULING-JTQLQIEISA-N 0 2 364.308 2.300 20 5 FEBDLN O=C(NCC1CCN(CC(F)(F)F)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000186987966 548235823 /nfs/dbraw/zinc/23/58/23/548235823.db2.gz WMBZBYYQQSSTFJ-UHFFFAOYSA-N 0 2 361.320 2.305 20 5 FEBDLN O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])c(O)c1 ZINC000493319407 561455418 /nfs/dbraw/zinc/45/54/18/561455418.db2.gz JODZELYUVDOACP-IUODEOHRSA-N 0 2 366.320 2.268 20 5 FEBDLN CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272361431 550440937 /nfs/dbraw/zinc/44/09/37/550440937.db2.gz FJGOOQZRCFUBTM-JTQLQIEISA-N 0 2 351.359 2.040 20 5 FEBDLN COCC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000272385098 550442940 /nfs/dbraw/zinc/44/29/40/550442940.db2.gz HJFAPHORILZZPG-LLVKDONJSA-N 0 2 358.347 2.383 20 5 FEBDLN CN(C(=O)c1cc([N+](=O)[O-])ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000272443395 550449107 /nfs/dbraw/zinc/44/91/07/550449107.db2.gz VADJCVWOPMQWNC-GFCCVEGCSA-N 0 2 365.386 2.382 20 5 FEBDLN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000278385583 550779722 /nfs/dbraw/zinc/77/97/22/550779722.db2.gz JMYWKPFQGBTGBE-NSHDSACASA-N 0 2 369.374 2.169 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc([O-])c1[N+](=O)[O-] ZINC000280684575 551021044 /nfs/dbraw/zinc/02/10/44/551021044.db2.gz BBFPTBVTEXIBFL-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCN(c2ccc(Cl)cn2)CC1 ZINC000280782048 551031870 /nfs/dbraw/zinc/03/18/70/551031870.db2.gz NLLMWPHRXNBGDF-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000283003996 551296505 /nfs/dbraw/zinc/29/65/05/551296505.db2.gz GKIIQLYFKKHBQS-KGLIPLIRSA-N 0 2 354.366 2.494 20 5 FEBDLN CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000286107491 551849595 /nfs/dbraw/zinc/84/95/95/551849595.db2.gz VZHOJOZUBRZUTK-LBPRGKRZSA-N 0 2 351.359 2.041 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288505633 552165248 /nfs/dbraw/zinc/16/52/48/552165248.db2.gz ZPNPQQPRQAIXEE-JQWIXIFHSA-N 0 2 365.386 2.428 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cc(C3CC3)n(C)n2)cc1[N+](=O)[O-] ZINC000290555395 552497482 /nfs/dbraw/zinc/49/74/82/552497482.db2.gz QZDOYKCXNGYFNK-UHFFFAOYSA-N 0 2 370.362 2.154 20 5 FEBDLN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000505106927 561666339 /nfs/dbraw/zinc/66/63/39/561666339.db2.gz BNKIGKGCUIRNAD-UHFFFAOYSA-N 0 2 373.365 2.410 20 5 FEBDLN O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000506363180 561696622 /nfs/dbraw/zinc/69/66/22/561696622.db2.gz LUASJGPTRZORSF-OAHLLOKOSA-N 0 2 353.338 2.132 20 5 FEBDLN COCc1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000506568929 561702387 /nfs/dbraw/zinc/70/23/87/561702387.db2.gz UJKLROGMWSGDDO-UHFFFAOYSA-N 0 2 368.367 2.256 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc2n(n1)CCCC2 ZINC000507582974 561734299 /nfs/dbraw/zinc/73/42/99/561734299.db2.gz NSNNEKVWYDGKOJ-UHFFFAOYSA-N 0 2 350.400 2.491 20 5 FEBDLN CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000331360309 554250997 /nfs/dbraw/zinc/25/09/97/554250997.db2.gz XQULJLCUFXXHHB-QGZVFWFLSA-N 0 2 350.371 2.494 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1cccc(C)c1 ZINC000510322560 561831464 /nfs/dbraw/zinc/83/14/64/561831464.db2.gz UXLPKFICLIXXMB-AWEZNQCLSA-N 0 2 372.377 2.371 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366823551 555944192 /nfs/dbraw/zinc/94/41/92/555944192.db2.gz KDPNEOZHVMDPHE-HNNXBMFYSA-N 0 2 355.350 2.226 20 5 FEBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@]2(CCO[C@H](C)C2)O1 ZINC000367639724 556102994 /nfs/dbraw/zinc/10/29/94/556102994.db2.gz WYWBCYQMBUCEJV-PSTGCABASA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(CNc1ccccc1[N+](=O)[O-])N1CCC(c2n[nH]c(=S)o2)CC1 ZINC000369023101 556479001 /nfs/dbraw/zinc/47/90/01/556479001.db2.gz MNSZLAJFIFZLKQ-UHFFFAOYSA-N 0 2 363.399 2.085 20 5 FEBDLN CN(C(=O)[C@@H]1CC12CCN(C(=O)c1cc([N+](=O)[O-])ccc1O)CC2)C1CC1 ZINC000371589692 557231802 /nfs/dbraw/zinc/23/18/02/557231802.db2.gz UZQVVAPYMGOETH-HNNXBMFYSA-N 0 2 373.409 2.164 20 5 FEBDLN COC(=O)[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cccs1 ZINC000521146525 562170506 /nfs/dbraw/zinc/17/05/06/562170506.db2.gz CFDHNZRBNNHACH-ZDUSSCGKSA-N 0 2 370.408 2.157 20 5 FEBDLN COc1ccc(C2=NO[C@@H](CNC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cc1 ZINC000375817042 558084165 /nfs/dbraw/zinc/08/41/65/558084165.db2.gz CAPKIAJXSAGEDW-CQSZACIVSA-N 0 2 371.349 2.232 20 5 FEBDLN CN1C(=O)C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000376118147 558129060 /nfs/dbraw/zinc/12/90/60/558129060.db2.gz QVJUXIAXGCCOMN-RHSMWYFYSA-N 0 2 373.340 2.141 20 5 FEBDLN CC1(c2cc(N3CCN(C(=O)c4cc(O)ccc4[N+](=O)[O-])CC3)n[nH]2)CC1 ZINC000376143846 558132857 /nfs/dbraw/zinc/13/28/57/558132857.db2.gz VCQLMPBRHSRHJX-UHFFFAOYSA-N 0 2 371.397 2.037 20 5 FEBDLN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000521669677 562181845 /nfs/dbraw/zinc/18/18/45/562181845.db2.gz IHLGLROYRPITMI-UHFFFAOYSA-N 0 2 363.395 2.488 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(-c3ncccc3F)n2)cc1 ZINC000378275460 558517154 /nfs/dbraw/zinc/51/71/54/558517154.db2.gz UDLVRWNTUJRHPM-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000426187289 559731341 /nfs/dbraw/zinc/73/13/41/559731341.db2.gz PWHGMNBKGOVTBC-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(NC(N)=O)c2)c([N+](=O)[O-])c1 ZINC000431171505 559835321 /nfs/dbraw/zinc/83/53/21/559835321.db2.gz SKVKXLLNNCLGGG-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436633475 559947176 /nfs/dbraw/zinc/94/71/76/559947176.db2.gz BRGQYQAWJQMGBD-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000436667788 559948253 /nfs/dbraw/zinc/94/82/53/559948253.db2.gz VENKFCZDRALIEK-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COCc1cc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc(C(=O)OC)c1 ZINC000436730439 559950198 /nfs/dbraw/zinc/95/01/98/559950198.db2.gz WUFWMCNVKJHWQY-UHFFFAOYSA-N 0 2 360.322 2.486 20 5 FEBDLN Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cccc1N1CCNC1=O ZINC000436822868 559953251 /nfs/dbraw/zinc/95/32/51/559953251.db2.gz RKPJWBLGTXTOQT-UHFFFAOYSA-N 0 2 356.338 2.391 20 5 FEBDLN O=C(Nc1ccccc1CN1CCNC1=O)c1ccc([N+](=O)[O-])cc1O ZINC000436890238 559955423 /nfs/dbraw/zinc/95/54/23/559955423.db2.gz SQONYHYXFYGLSG-UHFFFAOYSA-N 0 2 356.338 2.078 20 5 FEBDLN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1C(N)=O ZINC000436930359 559956776 /nfs/dbraw/zinc/95/67/76/559956776.db2.gz HCKAICLQDZQITE-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN O=C(Nc1ccccc1CN1CCNC1=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436981154 559958289 /nfs/dbraw/zinc/95/82/89/559958289.db2.gz SXXKWIHAMPFVMV-UHFFFAOYSA-N 0 2 356.338 2.078 20 5 FEBDLN O=C(NCCNc1ccc2ccccc2n1)c1ccc([N+](=O)[O-])cc1O ZINC000436987013 559958844 /nfs/dbraw/zinc/95/88/44/559958844.db2.gz GXYIYQVMOWGLSY-UHFFFAOYSA-N 0 2 352.350 2.691 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000442335373 560049308 /nfs/dbraw/zinc/04/93/08/560049308.db2.gz MMBAXGCCZPIVOB-UHFFFAOYSA-N 0 2 373.394 2.230 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)nn2)ccc1[N+](=O)[O-] ZINC000446951237 560153996 /nfs/dbraw/zinc/15/39/96/560153996.db2.gz FIVFHWPUYUVDOI-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452483076 560365976 /nfs/dbraw/zinc/36/59/76/560365976.db2.gz NQNCRXPPRGFGDU-MAUKXSAKSA-N 0 2 360.341 2.241 20 5 FEBDLN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000456668071 560528081 /nfs/dbraw/zinc/52/80/81/560528081.db2.gz WUSIGFNVKBUHFU-SNVBAGLBSA-N 0 2 361.320 2.257 20 5 FEBDLN Cc1c(Br)cc(S(=O)(=O)Nc2cncnc2)cc1[N+](=O)[O-] ZINC000464537609 560844775 /nfs/dbraw/zinc/84/47/75/560844775.db2.gz GQTOJXSYHNZASN-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000466960018 560900489 /nfs/dbraw/zinc/90/04/89/560900489.db2.gz QJNKRMCNMKSRCA-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccco1 ZINC000469888787 560968212 /nfs/dbraw/zinc/96/82/12/560968212.db2.gz LZIGUDMKHBTYEH-NSHDSACASA-N 0 2 360.322 2.007 20 5 FEBDLN O=C(Nc1cccc(N2CCCNC2=O)c1)c1cccc(O)c1[N+](=O)[O-] ZINC000537210721 562587750 /nfs/dbraw/zinc/58/77/50/562587750.db2.gz RBSNOOYHYWVJDS-UHFFFAOYSA-N 0 2 356.338 2.472 20 5 FEBDLN COc1cc(NS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)ncn1 ZINC000541173962 562605122 /nfs/dbraw/zinc/60/51/22/562605122.db2.gz UGHZKBADAKMKFK-UHFFFAOYSA-N 0 2 358.763 2.156 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc1[N+](=O)[O-] ZINC000568883332 568244403 /nfs/dbraw/zinc/24/44/03/568244403.db2.gz WYPJEOSLHLYTQV-UHFFFAOYSA-N 0 2 360.342 2.420 20 5 FEBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000557404050 674448066 /nfs/dbraw/zinc/44/80/66/674448066.db2.gz XQDAAAMJVBSBHR-SSDOTTSWSA-N 0 2 367.159 2.344 20 5 FEBDLN O=C([O-])NC1(c2noc(-c3ccc(-n4cc[nH+]c4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000740547325 602416974 /nfs/dbraw/zinc/41/69/74/602416974.db2.gz DGASSQZUKIYTPW-UHFFFAOYSA-N 0 2 370.325 2.477 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830532104 603716478 /nfs/dbraw/zinc/71/64/78/603716478.db2.gz LZGFAJQCLKCBBC-FZMZJTMJSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830532104 603716482 /nfs/dbraw/zinc/71/64/82/603716482.db2.gz LZGFAJQCLKCBBC-FZMZJTMJSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830137969 603728198 /nfs/dbraw/zinc/72/81/98/603728198.db2.gz ISJYJZWGEYDPBK-NHYWBVRUSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)[O-] ZINC000830137969 603728199 /nfs/dbraw/zinc/72/81/99/603728199.db2.gz ISJYJZWGEYDPBK-NHYWBVRUSA-N 0 2 364.402 2.210 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823711548 603979686 /nfs/dbraw/zinc/97/96/86/603979686.db2.gz CXKUYULHUIZCJU-LNSITVRQSA-N 0 2 362.386 2.139 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000823711548 603979689 /nfs/dbraw/zinc/97/96/89/603979689.db2.gz CXKUYULHUIZCJU-LNSITVRQSA-N 0 2 362.386 2.139 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]C[C@@H]1CCCN1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC000833955588 605817394 /nfs/dbraw/zinc/81/73/94/605817394.db2.gz SBKGVKUXYMEKRK-LSDHHAIUSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1cccc(C)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1-c1nn[nH]n1 ZINC000822293961 607154111 /nfs/dbraw/zinc/15/41/11/607154111.db2.gz RNMMUNXERHHGDY-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN COC(=O)CCc1csc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])n1 ZINC000560609843 674603445 /nfs/dbraw/zinc/60/34/45/674603445.db2.gz OTJYWBJKTFAEEB-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000120310227 671922832 /nfs/dbraw/zinc/92/28/32/671922832.db2.gz ATIXPRHSXUPTMP-NRFANRHFSA-N 0 2 360.438 2.336 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)C[C@H](OC)C(C)C)c(C)c([N+](=O)[O-])c1 ZINC000592353324 672790624 /nfs/dbraw/zinc/79/06/24/672790624.db2.gz PLUTTXSACCHKIG-AWEZNQCLSA-N 0 2 374.415 2.103 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594485308 673089114 /nfs/dbraw/zinc/08/91/14/673089114.db2.gz ZSOHODIRYQIUJG-CHWSQXEVSA-N 0 2 357.407 2.029 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594485308 673089119 /nfs/dbraw/zinc/08/91/19/673089119.db2.gz ZSOHODIRYQIUJG-CHWSQXEVSA-N 0 2 357.407 2.029 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc3c(n2)OCCO3)c(C)cc1[N+](=O)[O-] ZINC000594727158 673124370 /nfs/dbraw/zinc/12/43/70/673124370.db2.gz LTSWMFNRLKAXMX-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839476538 680754915 /nfs/dbraw/zinc/75/49/15/680754915.db2.gz GSXSJWVIRSXDKI-ZWNOBZJWSA-N 0 2 358.379 2.299 20 5 FEBDLN NC(=O)c1ccc(COC(=O)c2cc(F)c(O)c(F)c2)c([N+](=O)[O-])c1 ZINC000748479332 679968318 /nfs/dbraw/zinc/96/83/18/679968318.db2.gz ZGXIERAADLCJLY-UHFFFAOYSA-N 0 2 352.249 2.035 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1F ZINC000768888288 680963549 /nfs/dbraw/zinc/96/35/49/680963549.db2.gz LYITVJZBMJKYKT-UHFFFAOYSA-N 0 2 360.344 2.383 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnn(C)c2C2CC2)cc1[N+](=O)[O-] ZINC000769873149 680998119 /nfs/dbraw/zinc/99/81/19/680998119.db2.gz WCVCNYSSJGFTIO-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN NC(=O)c1ccc(SCC(=O)NOC2CCCCC2)c([N+](=O)[O-])c1 ZINC000777959178 681548672 /nfs/dbraw/zinc/54/86/72/681548672.db2.gz WPCDEGUMMJKRBN-UHFFFAOYSA-N 0 2 353.400 2.166 20 5 FEBDLN O=C(N[C@H]1CCCc2cn[nH]c21)C(F)(F)Oc1cccc([N+](=O)[O-])c1 ZINC000848584576 681583256 /nfs/dbraw/zinc/58/32/56/681583256.db2.gz CASWRADXMQAZQM-LBPRGKRZSA-N 0 2 352.297 2.483 20 5 FEBDLN CC1(c2ncc(C(=O)Nc3ccc(O)c([N+](=O)[O-])c3)s2)OCCO1 ZINC000860736570 683285805 /nfs/dbraw/zinc/28/58/05/683285805.db2.gz WJKORDHTYPIOGW-UHFFFAOYSA-N 0 2 351.340 2.229 20 5 FEBDLN O=C(CCNC(=O)C(F)(F)F)COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000865352440 683972787 /nfs/dbraw/zinc/97/27/87/683972787.db2.gz MAACSRCWMSAJKR-UHFFFAOYSA-N 0 2 354.668 2.265 20 5 FEBDLN Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cccc1[N+](=O)[O-] ZINC000022185422 539692098 /nfs/dbraw/zinc/69/20/98/539692098.db2.gz MPJYJGBCTLDAHS-UHFFFAOYSA-N 0 2 358.379 2.473 20 5 FEBDLN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000028688836 539835287 /nfs/dbraw/zinc/83/52/87/539835287.db2.gz SXHBQLOVKKNJHK-UHFFFAOYSA-N 0 2 361.379 2.288 20 5 FEBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2ccccc2Cl)c1 ZINC000029433775 539852602 /nfs/dbraw/zinc/85/26/02/539852602.db2.gz DEALYZVLQTTWBO-UHFFFAOYSA-N 0 2 371.802 2.453 20 5 FEBDLN NC(=O)CSc1ccccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000800933769 674091593 /nfs/dbraw/zinc/09/15/93/674091593.db2.gz PRKZJANGULSKSS-UHFFFAOYSA-N 0 2 373.437 2.035 20 5 FEBDLN Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1NS(C)(=O)=O ZINC000064752668 541216952 /nfs/dbraw/zinc/21/69/52/541216952.db2.gz QFWUGUYOPUOEHQ-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065833928 541265622 /nfs/dbraw/zinc/26/56/22/541265622.db2.gz YBUYDXKDKQSZLK-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN Cc1ccc([C@@H](C)NC(=O)C(=O)N=c2ncn(C(C)(C)C)[nH]2)cc1[N+](=O)[O-] ZINC000542290968 541375535 /nfs/dbraw/zinc/37/55/35/541375535.db2.gz JUFGEVYWCNPROD-LLVKDONJSA-N 0 2 374.401 2.066 20 5 FEBDLN O=C(OC[C@H]1CCCO1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387436 674125061 /nfs/dbraw/zinc/12/50/61/674125061.db2.gz SGFQUPKBCQHFGI-SNVBAGLBSA-N 0 2 367.745 2.475 20 5 FEBDLN COC[C@H](C)OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801387380 674125239 /nfs/dbraw/zinc/12/52/39/674125239.db2.gz RJOSZGMYBIIHMY-QMMMGPOBSA-N 0 2 355.734 2.331 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cn(Cc2cccc(F)c2)nn1 ZINC000092550084 542870618 /nfs/dbraw/zinc/87/06/18/542870618.db2.gz HQYVHDRXNQWZPZ-UHFFFAOYSA-N 0 2 357.301 2.332 20 5 FEBDLN Cc1nnc([C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc2)[nH]1 ZINC000103282046 543100426 /nfs/dbraw/zinc/10/04/26/543100426.db2.gz DLGSOHWVTXLZHA-OAHLLOKOSA-N 0 2 353.338 2.246 20 5 FEBDLN COc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1 ZINC000104390330 543131166 /nfs/dbraw/zinc/13/11/66/543131166.db2.gz OCISWVUAMUJGJE-UHFFFAOYSA-N 0 2 356.294 2.199 20 5 FEBDLN O=C(NCc1ccc(CN2CCCC2=O)cc1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000131977877 544214076 /nfs/dbraw/zinc/21/40/76/544214076.db2.gz KQVHOMHFFJTJDR-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@@H]3CCCCO3)[nH]n2)c1 ZINC000153191579 544744797 /nfs/dbraw/zinc/74/47/97/544744797.db2.gz QASYWJKXFAJCJN-ZDUSSCGKSA-N 0 2 366.399 2.296 20 5 FEBDLN O=[N+]([O-])c1cccc(-c2cc(NS(=O)(=O)C[C@@H]3CCCCO3)n[nH]2)c1 ZINC000153191579 544744799 /nfs/dbraw/zinc/74/47/99/544744799.db2.gz QASYWJKXFAJCJN-ZDUSSCGKSA-N 0 2 366.399 2.296 20 5 FEBDLN Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)nc2ccc(F)cc21 ZINC000179488955 327646239 /nfs/dbraw/zinc/64/62/39/327646239.db2.gz BJMVGFHCHSCEMY-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN Cc1cc(F)ccc1[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000185792740 327933157 /nfs/dbraw/zinc/93/31/57/327933157.db2.gz GTKLUJYYGIPZAA-INIZCTEOSA-N 0 2 373.340 2.061 20 5 FEBDLN COc1ccccc1N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000188031519 328061528 /nfs/dbraw/zinc/06/15/28/328061528.db2.gz MNNNPYKCZUHILZ-GFCCVEGCSA-N 0 2 357.366 2.318 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000193458906 328376803 /nfs/dbraw/zinc/37/68/03/328376803.db2.gz YCCBEEVNZKABLR-UHFFFAOYSA-N 0 2 361.379 2.223 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000055630734 324783901 /nfs/dbraw/zinc/78/39/01/324783901.db2.gz YXWGWXZOAWOWGI-CYBMUJFWSA-N 0 2 366.399 2.080 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccc(=O)n(-c2ccccc2F)n1 ZINC000166129840 327080685 /nfs/dbraw/zinc/08/06/85/327080685.db2.gz KEVRYXUEJXLIHZ-UHFFFAOYSA-N 0 2 370.296 2.238 20 5 FEBDLN CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000172237938 327188956 /nfs/dbraw/zinc/18/89/56/327188956.db2.gz DFHYBUMFEPIALA-MRXNPFEDSA-N 0 2 352.866 2.460 20 5 FEBDLN CC(C)OCCS(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000267238944 329305846 /nfs/dbraw/zinc/30/58/46/329305846.db2.gz BIFCJBISAFGKHM-UHFFFAOYSA-N 0 2 354.331 2.363 20 5 FEBDLN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271472768 329696432 /nfs/dbraw/zinc/69/64/32/329696432.db2.gz IUWCBXFCNMWQRM-CABZTGNLSA-N 0 2 353.400 2.187 20 5 FEBDLN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000271472770 329696435 /nfs/dbraw/zinc/69/64/35/329696435.db2.gz IUWCBXFCNMWQRM-SKDRFNHKSA-N 0 2 353.400 2.187 20 5 FEBDLN O=C(NCc1ccnc(OC2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000272365956 329774405 /nfs/dbraw/zinc/77/44/05/329774405.db2.gz GGBLQVFZHBLBIW-UHFFFAOYSA-N 0 2 373.365 2.183 20 5 FEBDLN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273261619 329850369 /nfs/dbraw/zinc/85/03/69/329850369.db2.gz TWUAFEMAAGJHGX-GFCCVEGCSA-N 0 2 365.386 2.382 20 5 FEBDLN C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000299689453 330198489 /nfs/dbraw/zinc/19/84/89/330198489.db2.gz SXUAGARPDONERB-JTQLQIEISA-N 0 2 353.375 2.334 20 5 FEBDLN O=C(NCc1nc(-c2cccc(F)c2)no1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000364810279 330206714 /nfs/dbraw/zinc/20/67/14/330206714.db2.gz LDIGREDJVWSPES-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(CC(F)(F)F)n2)cc1 ZINC000160249462 546021206 /nfs/dbraw/zinc/02/12/06/546021206.db2.gz KKFLZYCOYCMNNF-UHFFFAOYSA-N 0 2 350.278 2.154 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-c2ccncc2)nn1C ZINC000479266828 561186155 /nfs/dbraw/zinc/18/61/55/561186155.db2.gz OPNRQDCEWGXYNA-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000172183570 546239801 /nfs/dbraw/zinc/23/98/01/546239801.db2.gz MIUKFBSIEIQVOY-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)C)nc2)c1[N+](=O)[O-] ZINC000479603221 561193132 /nfs/dbraw/zinc/19/31/32/561193132.db2.gz IWUKYLNJULHPEU-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000481851565 561243997 /nfs/dbraw/zinc/24/39/97/561243997.db2.gz ABRCJMYYGMLTBD-GFCCVEGCSA-N 0 2 352.372 2.279 20 5 FEBDLN CCCCCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181881995 547398329 /nfs/dbraw/zinc/39/83/29/547398329.db2.gz UNVVEKHIRBNMOB-UHFFFAOYSA-N 0 2 363.414 2.459 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC(c2nncn2C2CC2)CC1 ZINC000182138388 547443152 /nfs/dbraw/zinc/44/31/52/547443152.db2.gz JGWSLNVHHUHPJZ-UHFFFAOYSA-N 0 2 357.370 2.247 20 5 FEBDLN C[C@@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)n1nnc(-c2ccccc2)n1 ZINC000183900750 547736290 /nfs/dbraw/zinc/73/62/90/547736290.db2.gz NNZGVNSSRRPOCS-JTQLQIEISA-N 0 2 354.326 2.154 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-n2ccnn2)cc1 ZINC000184892413 547894900 /nfs/dbraw/zinc/89/49/00/547894900.db2.gz HGXXRONPFGUABZ-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272364029 550441007 /nfs/dbraw/zinc/44/10/07/550441007.db2.gz NVYPAASDCCDVJV-LLVKDONJSA-N 0 2 365.386 2.430 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000274872271 550561371 /nfs/dbraw/zinc/56/13/71/550561371.db2.gz MMPYORAOQUWYLU-LLVKDONJSA-N 0 2 365.386 2.287 20 5 FEBDLN CC(C)OCc1nc([C@@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000291356501 552617960 /nfs/dbraw/zinc/61/79/60/552617960.db2.gz UXSFROKXKWWHQA-SECBINFHSA-N 0 2 350.331 2.099 20 5 FEBDLN CC(C)OCc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000291356504 552618000 /nfs/dbraw/zinc/61/80/00/552618000.db2.gz UXSFROKXKWWHQA-VIFPVBQESA-N 0 2 350.331 2.099 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)cc1 ZINC000295184755 552967618 /nfs/dbraw/zinc/96/76/18/552967618.db2.gz JQYVIIWQIZFUHD-UHFFFAOYSA-N 0 2 370.412 2.141 20 5 FEBDLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000296009176 553088844 /nfs/dbraw/zinc/08/88/44/553088844.db2.gz MMMCCJQFCPYCEA-UHFFFAOYSA-N 0 2 352.416 2.154 20 5 FEBDLN O=C(NCc1cccc(CN2CCCC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000505496061 561672139 /nfs/dbraw/zinc/67/21/39/561672139.db2.gz VPVMMOPLBSACJU-UHFFFAOYSA-N 0 2 369.377 2.353 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000508083943 561750915 /nfs/dbraw/zinc/75/09/15/561750915.db2.gz LLHIYMQZYHNFHE-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000330680067 554156453 /nfs/dbraw/zinc/15/64/53/554156453.db2.gz LQZQCLSYODQRGT-VXGBXAGGSA-N 0 2 363.414 2.408 20 5 FEBDLN Cc1ccc(C(=O)N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)cc1 ZINC000508420034 561761880 /nfs/dbraw/zinc/76/18/80/561761880.db2.gz XEMGIPDGFJIODL-UHFFFAOYSA-N 0 2 369.377 2.207 20 5 FEBDLN Cc1nc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)n1 ZINC000363644612 555154060 /nfs/dbraw/zinc/15/40/60/555154060.db2.gz HANGFYDIDMTHSR-AWEZNQCLSA-N 0 2 359.386 2.204 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000366823554 555944120 /nfs/dbraw/zinc/94/41/20/555944120.db2.gz KDPNEOZHVMDPHE-OAHLLOKOSA-N 0 2 355.350 2.226 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000367402600 556039145 /nfs/dbraw/zinc/03/91/45/556039145.db2.gz KZGDXMUMYIIFLE-CQSZACIVSA-N 0 2 373.409 2.165 20 5 FEBDLN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000368341705 556282116 /nfs/dbraw/zinc/28/21/16/556282116.db2.gz GCQJRBMBWZNSJS-ZDUSSCGKSA-N 0 2 361.354 2.337 20 5 FEBDLN CN(C(=O)c1cc(O)ccc1[N+](=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000368454771 556314522 /nfs/dbraw/zinc/31/45/22/556314522.db2.gz MCAAOCRUGBLBMP-INIZCTEOSA-N 0 2 373.340 2.317 20 5 FEBDLN Cc1nnc([C@@H]2CC23CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC3)o1 ZINC000368643223 556372099 /nfs/dbraw/zinc/37/20/99/556372099.db2.gz MABKHLWEISQIKN-ZDUSSCGKSA-N 0 2 358.354 2.402 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC000370579362 556913421 /nfs/dbraw/zinc/91/34/21/556913421.db2.gz JNSUYBZLSDGHFB-LBPRGKRZSA-N 0 2 362.363 2.200 20 5 FEBDLN O=C(Nc1ccccn1)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000371565623 557224223 /nfs/dbraw/zinc/22/42/23/557224223.db2.gz UZQSCDDNIKUSCR-UHFFFAOYSA-N 0 2 370.365 2.186 20 5 FEBDLN CC1(c2cc(N3CCN(C(=O)c4cc([N+](=O)[O-])ccc4O)CC3)n[nH]2)CC1 ZINC000373575628 557721483 /nfs/dbraw/zinc/72/14/83/557721483.db2.gz KMDXBYIRHKWTNB-UHFFFAOYSA-N 0 2 371.397 2.037 20 5 FEBDLN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cc([N+](=O)[O-])ccc1O)C[C@H](C)O2 ZINC000373742904 557749590 /nfs/dbraw/zinc/74/95/90/557749590.db2.gz GDGFHZVQYUUMDH-PEBVRCNWSA-N 0 2 350.371 2.099 20 5 FEBDLN Cc1nc(CO[C@@H]2CCN(C(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)cs1 ZINC000373744498 557749949 /nfs/dbraw/zinc/74/99/49/557749949.db2.gz DJPLYSWYJRUWQA-CYBMUJFWSA-N 0 2 363.395 2.497 20 5 FEBDLN COc1ccccc1[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC[NH2+]1 ZINC000374371560 557873519 /nfs/dbraw/zinc/87/35/19/557873519.db2.gz LFNDJPIWDGRBRH-HNNXBMFYSA-N 0 2 357.366 2.096 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000374805224 557934046 /nfs/dbraw/zinc/93/40/46/557934046.db2.gz HODPRSDVHUDDGL-OAHLLOKOSA-N 0 2 364.398 2.491 20 5 FEBDLN CC(C)n1cnnc1C1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000375618351 558058046 /nfs/dbraw/zinc/05/80/46/558058046.db2.gz NSNOKDIVJXKNEC-UHFFFAOYSA-N 0 2 359.386 2.493 20 5 FEBDLN CC1(C)CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000375873444 558091996 /nfs/dbraw/zinc/09/19/96/558091996.db2.gz NBZQNFVSOAFLRQ-QGZVFWFLSA-N 0 2 350.371 2.101 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1C ZINC000392569483 558617997 /nfs/dbraw/zinc/61/79/97/558617997.db2.gz WWZDZFQYZNGQCL-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000525349621 562246328 /nfs/dbraw/zinc/24/63/28/562246328.db2.gz PRBZFAHXCHXEJZ-UHFFFAOYSA-N 0 2 355.310 2.213 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)s1 ZINC000432956950 559868833 /nfs/dbraw/zinc/86/88/33/559868833.db2.gz BPPUNJMQXGBCRJ-UHFFFAOYSA-N 0 2 366.380 2.431 20 5 FEBDLN CCOC(=O)Cc1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000436628390 559947021 /nfs/dbraw/zinc/94/70/21/559947021.db2.gz QATPBTDVZSRDSU-UHFFFAOYSA-N 0 2 351.340 2.115 20 5 FEBDLN O=C(N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000436691919 559949074 /nfs/dbraw/zinc/94/90/74/559949074.db2.gz UYLWBLNTDPPPGA-CYBMUJFWSA-N 0 2 370.365 2.337 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1O ZINC000436817627 559953023 /nfs/dbraw/zinc/95/30/23/559953023.db2.gz BPUUKVBVDHTPLK-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COc1cc(OC)c(OC)cc1CNC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436871484 559955045 /nfs/dbraw/zinc/95/50/45/559955045.db2.gz UFOVIPWUDCAPNN-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN Cc1c(CS(C)(=O)=O)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436873533 559955093 /nfs/dbraw/zinc/95/50/93/559955093.db2.gz QACGOJUXKHMRLK-UHFFFAOYSA-N 0 2 364.379 2.406 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1cccc(C)c1 ZINC000436988829 559958765 /nfs/dbraw/zinc/95/87/65/559958765.db2.gz NAEMBUKQAODJJD-AWEZNQCLSA-N 0 2 372.377 2.371 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2F)cc([N+](=O)[O-])c1 ZINC000438715768 559982686 /nfs/dbraw/zinc/98/26/86/559982686.db2.gz KLUWQLGWOXDEQY-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)c([N+](=O)[O-])c1 ZINC000438773020 559983540 /nfs/dbraw/zinc/98/35/40/559983540.db2.gz LYUUOFREPRYOHS-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1cn2ccnc2s1 ZINC000443633863 560088945 /nfs/dbraw/zinc/08/89/45/560088945.db2.gz WZGNXTPSBVUYMR-UHFFFAOYSA-N 0 2 355.339 2.341 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000446952276 560154137 /nfs/dbraw/zinc/15/41/37/560154137.db2.gz MTGTXHAONMIYTE-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000456927930 560538674 /nfs/dbraw/zinc/53/86/74/560538674.db2.gz CZRCUKWFRUBIAU-HOTGVXAUSA-N 0 2 370.361 2.329 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000466962320 560900469 /nfs/dbraw/zinc/90/04/69/560900469.db2.gz UNQLYXKYJLSBTM-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN Cc1cc(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000468600195 560933718 /nfs/dbraw/zinc/93/37/18/560933718.db2.gz RARVINHXSNOZRO-VIFPVBQESA-N 0 2 369.337 2.144 20 5 FEBDLN COC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000468814842 560939515 /nfs/dbraw/zinc/93/95/15/560939515.db2.gz DKVNMSQKRJALMV-CYBMUJFWSA-N 0 2 370.408 2.157 20 5 FEBDLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])c1ccsc1 ZINC000468814968 560939517 /nfs/dbraw/zinc/93/95/17/560939517.db2.gz DKVNMSQKRJALMV-ZDUSSCGKSA-N 0 2 370.408 2.157 20 5 FEBDLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000475824146 561106241 /nfs/dbraw/zinc/10/62/41/561106241.db2.gz HNIJVFGGUKVFED-UHFFFAOYSA-N 0 2 360.344 2.383 20 5 FEBDLN CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cn1 ZINC000532279194 562472635 /nfs/dbraw/zinc/47/26/35/562472635.db2.gz CRJNOLBMHBBJEQ-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN CNc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1[N+](=O)[O-] ZINC000533783026 562517949 /nfs/dbraw/zinc/51/79/49/562517949.db2.gz ZCOZZTWNCBJCGO-UHFFFAOYSA-N 0 2 356.367 2.224 20 5 FEBDLN O=C1C[C@H](NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c2ccccc21 ZINC000545469590 562627642 /nfs/dbraw/zinc/62/76/42/562627642.db2.gz VZSDUGJEVJZAEQ-LBPRGKRZSA-N 0 2 350.327 2.340 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2ccn(CCCOC)n2)cc1[N+](=O)[O-] ZINC000569577567 568408248 /nfs/dbraw/zinc/40/82/48/568408248.db2.gz RGNSOKZBEHYDOL-UHFFFAOYSA-N 0 2 368.415 2.191 20 5 FEBDLN CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000569930347 568437865 /nfs/dbraw/zinc/43/78/65/568437865.db2.gz JSFMETCOYGZJAO-CYBMUJFWSA-N 0 2 373.413 2.393 20 5 FEBDLN COc1cc(C[N@@H+]2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593730978 598211851 /nfs/dbraw/zinc/21/18/51/598211851.db2.gz QCEJESRODYJXIB-JTQLQIEISA-N 0 2 360.313 2.296 20 5 FEBDLN COc1cc(C[N@H+]2CCC[C@H]2C(=O)[O-])c([N+](=O)[O-])cc1OCC(F)F ZINC000593730978 598211852 /nfs/dbraw/zinc/21/18/52/598211852.db2.gz QCEJESRODYJXIB-JTQLQIEISA-N 0 2 360.313 2.296 20 5 FEBDLN C[C@@H]1CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000563124294 674848385 /nfs/dbraw/zinc/84/83/85/674848385.db2.gz ISMFBYXXFSNHLD-MWLCHTKSSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C(=O)[O-] ZINC000563124294 674848387 /nfs/dbraw/zinc/84/83/87/674848387.db2.gz ISMFBYXXFSNHLD-MWLCHTKSSA-N 0 2 355.778 2.229 20 5 FEBDLN Cc1nnc([C@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000815025523 674900703 /nfs/dbraw/zinc/90/07/03/674900703.db2.gz HWEXHSJFNOQZQD-YFKPBYRVSA-N 0 2 364.742 2.118 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)sc1C ZINC000079288940 670603981 /nfs/dbraw/zinc/60/39/81/670603981.db2.gz ZKLUWIADJMQUIY-UHFFFAOYSA-N 0 2 357.413 2.732 20 5 FEBDLN Cn1cnnc1-c1ccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000120098712 671916792 /nfs/dbraw/zinc/91/67/92/671916792.db2.gz RDOBCISYICLPTQ-UHFFFAOYSA-N 0 2 365.396 2.253 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCOC2 ZINC000594696716 673118107 /nfs/dbraw/zinc/11/81/07/673118107.db2.gz MBUCQJBITAFMFJ-UHFFFAOYSA-N 0 2 364.379 2.477 20 5 FEBDLN CC(C)COC[C@@H](NS(=O)(=O)c1ncccc1[N+](=O)[O-])c1ccco1 ZINC000594752303 673129502 /nfs/dbraw/zinc/12/95/02/673129502.db2.gz LQBMGWDVFVBAPN-GFCCVEGCSA-N 0 2 369.399 2.275 20 5 FEBDLN CCS(=O)(=O)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)cc1 ZINC000537770748 673406553 /nfs/dbraw/zinc/40/65/53/673406553.db2.gz COXCNVCYAMDHTQ-UHFFFAOYSA-N 0 2 350.352 2.346 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cc(C(C)=O)ccc2O)ccc1[N+](=O)[O-] ZINC000543650005 673658602 /nfs/dbraw/zinc/65/86/02/673658602.db2.gz FFSHKMKQZLRISX-UHFFFAOYSA-N 0 2 366.351 2.312 20 5 FEBDLN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cn1 ZINC000543791932 673670828 /nfs/dbraw/zinc/67/08/28/673670828.db2.gz PVQPOZBROAVELL-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccnn2C(C)(C)C)cc1[N+](=O)[O-] ZINC000615565894 676220050 /nfs/dbraw/zinc/22/00/50/676220050.db2.gz JICRWVBDSJGZGS-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN Nc1ccc(NS(=O)(=O)c2cccnc2OCC(F)F)cc1[N+](=O)[O-] ZINC000821131886 675417126 /nfs/dbraw/zinc/41/71/26/675417126.db2.gz DUHHYFHMZMBTEX-UHFFFAOYSA-N 0 2 374.325 2.017 20 5 FEBDLN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)Nc1noc(C2CC2)n1 ZINC000829767677 675890020 /nfs/dbraw/zinc/89/00/20/675890020.db2.gz BJUONWDVRHXSCD-UHFFFAOYSA-N 0 2 362.726 2.449 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000619507573 676382770 /nfs/dbraw/zinc/38/27/70/676382770.db2.gz OECOVKWWUQPIGO-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN CCOC(=O)N[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)CC(C)C ZINC000753797671 680315671 /nfs/dbraw/zinc/31/56/71/680315671.db2.gz KJGHIZUIWVRQGQ-LLVKDONJSA-N 0 2 353.375 2.191 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)n2)cc1[N+](=O)[O-] ZINC000777670147 681520270 /nfs/dbraw/zinc/52/02/70/681520270.db2.gz LFTNRVOQRWBTHF-UHFFFAOYSA-N 0 2 366.355 2.277 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)OCCc1ccc([N+](=O)[O-])cc1 ZINC000786779157 682404560 /nfs/dbraw/zinc/40/45/60/682404560.db2.gz RICPOKWWMBQSAL-LBPRGKRZSA-N 0 2 362.304 2.384 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000866284200 684088473 /nfs/dbraw/zinc/08/84/73/684088473.db2.gz MHVQOAAMQSLIMS-NSHDSACASA-N 0 2 352.700 2.291 20 5 FEBDLN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000026126967 539777512 /nfs/dbraw/zinc/77/75/12/539777512.db2.gz BGWHBNVKTGDGIQ-UHFFFAOYSA-N 0 2 369.377 2.465 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1)c1ccccc1 ZINC000035989396 539985122 /nfs/dbraw/zinc/98/51/22/539985122.db2.gz AUWBPQRCNRHGEY-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1-n1cncn1 ZINC000055583593 540661704 /nfs/dbraw/zinc/66/17/04/540661704.db2.gz SXEWWLUCEUBJHS-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000055651901 540668202 /nfs/dbraw/zinc/66/82/02/540668202.db2.gz OCBQRBWGQMRFKL-UHFFFAOYSA-N 0 2 363.395 2.454 20 5 FEBDLN CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000067147955 541425160 /nfs/dbraw/zinc/42/51/60/541425160.db2.gz CCBUPWXBRNKGDP-GXTWGEPZSA-N 0 2 363.414 2.457 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)cc1C ZINC000102632459 543075412 /nfs/dbraw/zinc/07/54/12/543075412.db2.gz OYGBHNWNHZJQFO-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000153807385 544826425 /nfs/dbraw/zinc/82/64/25/544826425.db2.gz SAYOVYFTRIKNIR-UHFFFAOYSA-N 0 2 350.312 2.347 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-n2ccnn2)cc1 ZINC000184892389 327887666 /nfs/dbraw/zinc/88/76/66/327887666.db2.gz HGXXRONPFGUABZ-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000185594642 327923958 /nfs/dbraw/zinc/92/39/58/327923958.db2.gz OSDPANIBARQQEB-LBPRGKRZSA-N 0 2 359.386 2.493 20 5 FEBDLN CN(C)c1ncccc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000187734541 328042632 /nfs/dbraw/zinc/04/26/32/328042632.db2.gz NKYBTJOKWDKAIU-UHFFFAOYSA-N 0 2 373.394 2.405 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2cccnc2N(C)C)c1[N+](=O)[O-] ZINC000191802284 328282866 /nfs/dbraw/zinc/28/28/66/328282866.db2.gz LEILUXRARKDRPC-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN O=C(NC1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000193625780 328386122 /nfs/dbraw/zinc/38/61/22/328386122.db2.gz IUXYANGVOXXSFJ-UHFFFAOYSA-N 0 2 369.377 2.335 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000119013269 326117984 /nfs/dbraw/zinc/11/79/84/326117984.db2.gz QAPNREMWRQFHSI-UHFFFAOYSA-N 0 2 369.424 2.434 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(-c2ccco2)o1 ZINC000153756006 326741859 /nfs/dbraw/zinc/74/18/59/326741859.db2.gz YMKNLHFOWJPATI-UHFFFAOYSA-N 0 2 350.312 2.347 20 5 FEBDLN O=C(CNC(=O)c1c(F)cccc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000166068534 327080610 /nfs/dbraw/zinc/08/06/10/327080610.db2.gz BMPUCSUACGHILY-UHFFFAOYSA-N 0 2 367.720 2.461 20 5 FEBDLN Cc1sc2ncn(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(=O)c2c1C ZINC000166147435 327080726 /nfs/dbraw/zinc/08/07/26/327080726.db2.gz UONRBJIILZXTJI-UHFFFAOYSA-N 0 2 374.378 2.327 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000272399799 329777773 /nfs/dbraw/zinc/77/77/73/329777773.db2.gz MQXKFMQWVOKZSR-QAPCUYQASA-N 0 2 372.377 2.265 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1[N+](=O)[O-] ZINC000272903721 329822500 /nfs/dbraw/zinc/82/25/00/329822500.db2.gz MOSCHIKSIAECMW-UHFFFAOYSA-N 0 2 360.779 2.100 20 5 FEBDLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000479259859 561186087 /nfs/dbraw/zinc/18/60/87/561186087.db2.gz LYVQODCXXUVAJR-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN CCCCN(C)C(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000179440332 546954333 /nfs/dbraw/zinc/95/43/33/546954333.db2.gz LPZYOZAAYPJKBS-UHFFFAOYSA-N 0 2 363.414 2.411 20 5 FEBDLN O=C(NC[C@H](CO)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000482288079 561251978 /nfs/dbraw/zinc/25/19/78/561251978.db2.gz TVAZOXRLKKJKQR-LLVKDONJSA-N 0 2 366.320 2.160 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000483434334 561277025 /nfs/dbraw/zinc/27/70/25/561277025.db2.gz CWOMPPSORKJGDR-CYBMUJFWSA-N 0 2 359.313 2.431 20 5 FEBDLN Cc1sc2ncc(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c(=O)n2c1C ZINC000181535019 547330333 /nfs/dbraw/zinc/33/03/33/547330333.db2.gz NHKKDCAKZIICME-UHFFFAOYSA-N 0 2 360.351 2.239 20 5 FEBDLN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000182110613 547439298 /nfs/dbraw/zinc/43/92/98/547439298.db2.gz RKBUWKVYBCJMIU-CYBMUJFWSA-N 0 2 361.398 2.211 20 5 FEBDLN C[C@H](NC(=O)c1cccc(O)c1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000486479353 561348541 /nfs/dbraw/zinc/34/85/41/561348541.db2.gz VDRMCCIQXIBQOY-ZETCQYMHSA-N 0 2 367.159 2.344 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccccc1-n1ccnn1 ZINC000194193431 548448049 /nfs/dbraw/zinc/44/80/49/548448049.db2.gz CYECBGGDEYXDJT-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccnc2OCC(F)F)c1 ZINC000194654305 548511905 /nfs/dbraw/zinc/51/19/05/548511905.db2.gz GTJRSZKDMMJIAH-UHFFFAOYSA-N 0 2 359.310 2.435 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cccc(N(C)C(N)=O)c2)cc1[N+](=O)[O-] ZINC000487376096 561368614 /nfs/dbraw/zinc/36/86/14/561368614.db2.gz MAJKKRXXVUAMJH-UHFFFAOYSA-N 0 2 370.412 2.280 20 5 FEBDLN O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000262226863 549799867 /nfs/dbraw/zinc/79/98/67/549799867.db2.gz LJOKJLJZUDYEHC-SCLBCKFNSA-N 0 2 370.365 2.107 20 5 FEBDLN COC(=O)c1ccncc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000492976342 561453899 /nfs/dbraw/zinc/45/38/99/561453899.db2.gz KOYHWXIKHGHFOJ-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2c3c(nn2C)CCC3)cc1[N+](=O)[O-] ZINC000493107447 561454470 /nfs/dbraw/zinc/45/44/70/561454470.db2.gz RSRIUTOQPUTUDW-UHFFFAOYSA-N 0 2 350.400 2.235 20 5 FEBDLN CCOC(=O)CCN(Cc1cccnc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000271335577 550366265 /nfs/dbraw/zinc/36/62/65/550366265.db2.gz ZMKZLMFAXVAWHO-UHFFFAOYSA-N 0 2 373.365 2.291 20 5 FEBDLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)oc1C ZINC000274891886 550562843 /nfs/dbraw/zinc/56/28/43/550562843.db2.gz MECUMOFNZKBSAY-UHFFFAOYSA-N 0 2 369.355 2.177 20 5 FEBDLN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000285356469 551743420 /nfs/dbraw/zinc/74/34/20/551743420.db2.gz CIHXRROHDAARJJ-LRDDRELGSA-N 0 2 360.370 2.338 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 ZINC000500757239 561581378 /nfs/dbraw/zinc/58/13/78/561581378.db2.gz GUSVKZJZCXXNAS-UHFFFAOYSA-N 0 2 357.369 2.029 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])s1 ZINC000500760088 561581453 /nfs/dbraw/zinc/58/14/53/561581453.db2.gz WDPULJSKLJNWLL-UHFFFAOYSA-N 0 2 371.396 2.170 20 5 FEBDLN O=C(NCc1ccncc1OC[C@H]1CCOC1)c1cccc(O)c1[N+](=O)[O-] ZINC000291791757 552661990 /nfs/dbraw/zinc/66/19/90/552661990.db2.gz PUGWNBLCMVXGKB-LBPRGKRZSA-N 0 2 373.365 2.041 20 5 FEBDLN CC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000295646154 553039144 /nfs/dbraw/zinc/03/91/44/553039144.db2.gz DNGINIYNFGVNME-LLVKDONJSA-N 0 2 353.375 2.334 20 5 FEBDLN COCCCn1cc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)n1 ZINC000296787397 553211497 /nfs/dbraw/zinc/21/14/97/553211497.db2.gz SMKDUXAJPBCIMX-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 ZINC000298792510 553473822 /nfs/dbraw/zinc/47/38/22/553473822.db2.gz QHDBPSMZCBJZNF-UHFFFAOYSA-N 0 2 365.386 2.430 20 5 FEBDLN CCCSc1ccc([N+](=O)[O-])cc1C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000506700473 561706404 /nfs/dbraw/zinc/70/64/04/561706404.db2.gz WKDOAUMMYWCCPA-UHFFFAOYSA-N 0 2 365.415 2.283 20 5 FEBDLN COc1ccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1NC(C)=O ZINC000509078949 561784034 /nfs/dbraw/zinc/78/40/34/561784034.db2.gz NSDWAFPUHIKDHU-UHFFFAOYSA-N 0 2 359.338 2.197 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000515633364 562017696 /nfs/dbraw/zinc/01/76/96/562017696.db2.gz CXJJRCUNAQDOJS-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN CC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])c1 ZINC000372607767 557519527 /nfs/dbraw/zinc/51/95/27/557519527.db2.gz VZINXZOJSFMUNX-KRWDZBQOSA-N 0 2 360.458 2.402 20 5 FEBDLN O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1cc([N+](=O)[O-])ccc1O ZINC000373881602 557779604 /nfs/dbraw/zinc/77/96/04/557779604.db2.gz NXHYKXTVTFPBQI-OLZOCXBDSA-N 0 2 361.398 2.211 20 5 FEBDLN O=[N+]([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OCCO)cc1 ZINC000521104421 562169696 /nfs/dbraw/zinc/16/96/96/562169696.db2.gz KHDUENFLOPVIGG-UHFFFAOYSA-N 0 2 372.786 2.420 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375286934 558004463 /nfs/dbraw/zinc/00/44/63/558004463.db2.gz LOIBEQQSAWDWSH-GOSISDBHSA-N 0 2 353.334 2.036 20 5 FEBDLN COc1ccc(-c2nnc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])[nH]2)cc1 ZINC000375625000 558058579 /nfs/dbraw/zinc/05/85/79/558058579.db2.gz RNWRHYRGJLYOFQ-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN COc1ccc(-c2n[nH]c(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])n2)cc1 ZINC000375625000 558058580 /nfs/dbraw/zinc/05/85/80/558058580.db2.gz RNWRHYRGJLYOFQ-UHFFFAOYSA-N 0 2 369.337 2.024 20 5 FEBDLN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000375664902 558064190 /nfs/dbraw/zinc/06/41/90/558064190.db2.gz PLJINAOQJQIQME-GFCCVEGCSA-N 0 2 359.386 2.493 20 5 FEBDLN COC(=O)[C@H](NS(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1cccs1 ZINC000522024690 562189543 /nfs/dbraw/zinc/18/95/43/562189543.db2.gz DAGQAYXJZVEZKV-GFCCVEGCSA-N 0 2 370.408 2.157 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nc[nH]n2)ccc1[N+](=O)[O-] ZINC000378281452 558518646 /nfs/dbraw/zinc/51/86/46/558518646.db2.gz SLFZYLRIFKAWCL-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c(O)c1 ZINC000392415862 558617512 /nfs/dbraw/zinc/61/75/12/558617512.db2.gz XSIBEDDUCZEKFM-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000412323299 559027798 /nfs/dbraw/zinc/02/77/98/559027798.db2.gz IQAWPAPBFQMBEC-NSHDSACASA-N 0 2 359.386 2.102 20 5 FEBDLN CCn1cc([C@@H]2OCC[C@H]2CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1 ZINC000412599103 559045948 /nfs/dbraw/zinc/04/59/48/559045948.db2.gz DNONPRIXSHVBCC-BLLLJJGKSA-N 0 2 360.370 2.024 20 5 FEBDLN Cc1nc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3Cl)cn2n1 ZINC000430352367 559818395 /nfs/dbraw/zinc/81/83/95/559818395.db2.gz ARHXXQSPBVLXDU-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN CC(C)c1[nH]nc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)c1[N+](=O)[O-] ZINC000433937571 559890910 /nfs/dbraw/zinc/89/09/10/559890910.db2.gz WEDAWMSZXCFWSU-UHFFFAOYSA-N 0 2 358.314 2.449 20 5 FEBDLN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436639184 559947257 /nfs/dbraw/zinc/94/72/57/559947257.db2.gz NZYWBOIGLRCDDA-UHFFFAOYSA-N 0 2 368.342 2.236 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1O ZINC000436851149 559954319 /nfs/dbraw/zinc/95/43/19/559954319.db2.gz JZOJPVIWFLUJOE-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)cc1 ZINC000436896866 559955713 /nfs/dbraw/zinc/95/57/13/559955713.db2.gz OUCQLQAKNBRDTC-AWEZNQCLSA-N 0 2 362.313 2.126 20 5 FEBDLN Cn1ccc2c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cccc2c1=O ZINC000443518387 560086122 /nfs/dbraw/zinc/08/61/22/560086122.db2.gz GAXQKKBMWBXAQM-UHFFFAOYSA-N 0 2 359.363 2.248 20 5 FEBDLN Cc1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cnn1[C@@H]1CCOC1 ZINC000451100679 560287214 /nfs/dbraw/zinc/28/72/14/560287214.db2.gz WNABZDROWLIYKQ-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN C[C@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000456634893 560526761 /nfs/dbraw/zinc/52/67/61/560526761.db2.gz DIDCHNQONFPGJK-JTQLQIEISA-N 0 2 361.320 2.257 20 5 FEBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)N1c2ccccc2C[C@H]1C ZINC000456644297 560527070 /nfs/dbraw/zinc/52/70/70/560527070.db2.gz OCTBDQJUBODNGG-VXGBXAGGSA-N 0 2 369.377 2.397 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456658462 560527610 /nfs/dbraw/zinc/52/76/10/560527610.db2.gz RLJYRGXCTOGZIU-RYUDHWBXSA-N 0 2 369.377 2.397 20 5 FEBDLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000462379066 560807986 /nfs/dbraw/zinc/80/79/86/560807986.db2.gz IATKCTXEGLVESC-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc2cccnc2n1C ZINC000467017450 560901549 /nfs/dbraw/zinc/90/15/49/560901549.db2.gz SYJUGDUAJPDHMU-UHFFFAOYSA-N 0 2 361.383 2.294 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C)c1 ZINC000468546928 560932723 /nfs/dbraw/zinc/93/27/23/560932723.db2.gz GGGUMVVPPOJAFI-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000470650781 560986755 /nfs/dbraw/zinc/98/67/55/560986755.db2.gz ULKURFMHHDRUSH-UHFFFAOYSA-N 0 2 350.356 2.057 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)ccc1[N+](=O)[O-] ZINC000475835962 561106553 /nfs/dbraw/zinc/10/65/53/561106553.db2.gz NEZZVHMCLVNFGC-UHFFFAOYSA-N 0 2 366.399 2.393 20 5 FEBDLN Cc1cccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 ZINC000476790062 561128451 /nfs/dbraw/zinc/12/84/51/561128451.db2.gz LEZJSYWQBHCZIG-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)s1 ZINC000476935953 561132444 /nfs/dbraw/zinc/13/24/44/561132444.db2.gz ATMQNTAISDXPDE-UHFFFAOYSA-N 0 2 368.421 2.398 20 5 FEBDLN COC(=O)c1csc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000531854293 562458934 /nfs/dbraw/zinc/45/89/34/562458934.db2.gz PGBCXTZSYPRELN-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000535402232 562557765 /nfs/dbraw/zinc/55/77/65/562557765.db2.gz RTSGCSHVYYGAFM-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)s1 ZINC000541074085 562602244 /nfs/dbraw/zinc/60/22/44/562602244.db2.gz JHJHYYCAABIGES-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN CCc1ccc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)cc1[N+](=O)[O-] ZINC000569724093 568414345 /nfs/dbraw/zinc/41/43/45/568414345.db2.gz PSYMHDWBXOKDLS-UHFFFAOYSA-N 0 2 353.404 2.305 20 5 FEBDLN O=C(Cc1c(F)cc([N+](=O)[O-])cc1F)OCCCNC(=O)C(F)(F)F ZINC000808562436 674463135 /nfs/dbraw/zinc/46/31/35/674463135.db2.gz PNNIAWBPKQNXHN-UHFFFAOYSA-N 0 2 370.230 2.027 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740153331 602266349 /nfs/dbraw/zinc/26/63/49/602266349.db2.gz QXOKLHYGXWMPGO-WFASDCNBSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000740153331 602266351 /nfs/dbraw/zinc/26/63/51/602266351.db2.gz QXOKLHYGXWMPGO-WFASDCNBSA-N 0 2 364.402 2.352 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833953892 605816578 /nfs/dbraw/zinc/81/65/78/605816578.db2.gz DSCKQWOEHNYEJT-GJZGRUSLSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1nnc([C@@H](C)NS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000815025522 674900763 /nfs/dbraw/zinc/90/07/63/674900763.db2.gz HWEXHSJFNOQZQD-RXMQYKEDSA-N 0 2 364.742 2.118 20 5 FEBDLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc12 ZINC000072066829 670495507 /nfs/dbraw/zinc/49/55/07/670495507.db2.gz HLBNYRYLCXVFNG-UHFFFAOYSA-N 0 2 352.303 2.379 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000577064814 671414324 /nfs/dbraw/zinc/41/43/24/671414324.db2.gz LEVUSQIQPIUJHM-NSHDSACASA-N 0 2 350.762 2.455 20 5 FEBDLN CC[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])C(=O)NCc1cccs1 ZINC000592866803 672848603 /nfs/dbraw/zinc/84/86/03/672848603.db2.gz JHEUMFJRYMGBMB-ZDUSSCGKSA-N 0 2 363.395 2.187 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000540332955 673534496 /nfs/dbraw/zinc/53/44/96/673534496.db2.gz HQBZRCSKSVPXFW-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN COC(=O)C(C)(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000614014661 676156943 /nfs/dbraw/zinc/15/69/43/676156943.db2.gz MCJSLMUZMHQFED-NSHDSACASA-N 0 2 350.371 2.352 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])c(Br)c1 ZINC000542516389 673587915 /nfs/dbraw/zinc/58/79/15/673587915.db2.gz VBWHPNFEAVLBGH-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000543860180 673675100 /nfs/dbraw/zinc/67/51/00/673675100.db2.gz RWYXFYOCCCNJPO-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000544637933 673722030 /nfs/dbraw/zinc/72/20/30/673722030.db2.gz FFWUYRJITVDAMX-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)cc1[N+](=O)[O-] ZINC000600634954 673784302 /nfs/dbraw/zinc/78/43/02/673784302.db2.gz LRZBMXKHOVGONC-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000600668028 673789736 /nfs/dbraw/zinc/78/97/36/673789736.db2.gz PLQJRZRRFFRWIO-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000600703291 673793288 /nfs/dbraw/zinc/79/32/88/673793288.db2.gz QBJNJOZLOHLDPS-KOLCDFICSA-N 0 2 355.778 2.229 20 5 FEBDLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C(=O)[O-] ZINC000600703291 673793290 /nfs/dbraw/zinc/79/32/90/673793290.db2.gz QBJNJOZLOHLDPS-KOLCDFICSA-N 0 2 355.778 2.229 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc([S@@](C)=O)c1 ZINC000619467557 676378185 /nfs/dbraw/zinc/37/81/85/676378185.db2.gz OLDWOHLOVIZGGU-HSZRJFAPSA-N 0 2 370.408 2.142 20 5 FEBDLN O=C(Nc1ccnn1Cc1ccccc1Br)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000839631729 680767997 /nfs/dbraw/zinc/76/79/97/680767997.db2.gz BKRFRFCETDHKEZ-ZYHUDNBSSA-N 0 2 365.187 2.298 20 5 FEBDLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000757640262 680529286 /nfs/dbraw/zinc/52/92/86/680529286.db2.gz YJXLWNZIUGZSGX-UHFFFAOYSA-N 0 2 372.305 2.460 20 5 FEBDLN O=C(O[C@@H]1CCOC1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000837709695 680638474 /nfs/dbraw/zinc/63/84/74/680638474.db2.gz NWDAIJZNFVQTOO-SECBINFHSA-N 0 2 353.718 2.085 20 5 FEBDLN COC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1[N+](=O)[O-] ZINC000777665642 681519621 /nfs/dbraw/zinc/51/96/21/681519621.db2.gz NXXDPGDIUKXWQW-UHFFFAOYSA-N 0 2 372.384 2.339 20 5 FEBDLN Nc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1[N+](=O)[O-] ZINC000785482071 682301854 /nfs/dbraw/zinc/30/18/54/682301854.db2.gz QOBWYAAVQJPWKS-UHFFFAOYSA-N 0 2 362.289 2.392 20 5 FEBDLN COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000007053847 539445931 /nfs/dbraw/zinc/44/59/31/539445931.db2.gz LONOZRQXEJQBTN-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc1[N+](=O)[O-] ZINC000042714679 540074868 /nfs/dbraw/zinc/07/48/68/540074868.db2.gz IERFSRFZYZXTOP-ZDUSSCGKSA-N 0 2 366.399 2.080 20 5 FEBDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000045867900 540232536 /nfs/dbraw/zinc/23/25/36/540232536.db2.gz BSYPIMXODHPLOO-UHFFFAOYSA-N 0 2 353.331 2.493 20 5 FEBDLN CCNC(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000055567850 540659822 /nfs/dbraw/zinc/65/98/22/540659822.db2.gz QASOCBARLTXLKP-UHFFFAOYSA-N 0 2 363.395 2.454 20 5 FEBDLN O=C(CCn1cnc2sccc2c1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000089531666 542764760 /nfs/dbraw/zinc/76/47/60/542764760.db2.gz YAXJVKAMHVSNMA-UHFFFAOYSA-N 0 2 360.351 2.101 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccccc2N(C)C)c([N+](=O)[O-])c1 ZINC000109423965 543324860 /nfs/dbraw/zinc/32/48/60/543324860.db2.gz NNBMSIVNJDXUBG-UHFFFAOYSA-N 0 2 351.384 2.470 20 5 FEBDLN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000552111457 674188245 /nfs/dbraw/zinc/18/82/45/674188245.db2.gz ANOAJNOJRHTLDV-UHFFFAOYSA-N 0 2 358.276 2.325 20 5 FEBDLN Cc1nn(C)c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1[N+](=O)[O-] ZINC000135163116 544336781 /nfs/dbraw/zinc/33/67/81/544336781.db2.gz LOCVOGACZGPYSA-UHFFFAOYSA-N 0 2 361.749 2.328 20 5 FEBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn(-c2ccccc2)nn1 ZINC000182112268 327761393 /nfs/dbraw/zinc/76/13/93/327761393.db2.gz BBPSLHKXGJUCPM-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000184633311 327876275 /nfs/dbraw/zinc/87/62/75/327876275.db2.gz LPKFZERCNIUSOR-QGZVFWFLSA-N 0 2 371.393 2.104 20 5 FEBDLN C[C@@H](c1cccnc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184785757 327883314 /nfs/dbraw/zinc/88/33/14/327883314.db2.gz NPHNXCGZYHXSRX-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000185573519 327922881 /nfs/dbraw/zinc/92/28/81/327922881.db2.gz DRYMEBZYJMRWKQ-LLVKDONJSA-N 0 2 357.370 2.247 20 5 FEBDLN COc1ccc2c(c1)nc(CNC(=O)c1cc([N+](=O)[O-])ccc1O)n2C ZINC000187296309 328014257 /nfs/dbraw/zinc/01/42/57/328014257.db2.gz BFEAVACGNXBZJT-UHFFFAOYSA-N 0 2 356.338 2.126 20 5 FEBDLN CCC(CC)(CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000236892910 328497270 /nfs/dbraw/zinc/49/72/70/328497270.db2.gz ZCBPJLITEXPURV-UHFFFAOYSA-N 0 2 360.370 2.401 20 5 FEBDLN O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1cc([N+](=O)[O-])ccc1O ZINC000124951266 326462891 /nfs/dbraw/zinc/46/28/91/326462891.db2.gz IDKOILVPAQKAEG-UHFFFAOYSA-N 0 2 374.744 2.246 20 5 FEBDLN O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000157452908 326865955 /nfs/dbraw/zinc/86/59/55/326865955.db2.gz KFILJVBYJVLQFM-UHFFFAOYSA-N 0 2 357.366 2.385 20 5 FEBDLN O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[NH+](CCOc2ccccc2)CC1 ZINC000159346879 326928037 /nfs/dbraw/zinc/92/80/37/326928037.db2.gz ZXYFAYLWFSEPGZ-UHFFFAOYSA-N 0 2 371.393 2.137 20 5 FEBDLN CCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1C ZINC000172903796 327225459 /nfs/dbraw/zinc/22/54/59/327225459.db2.gz XUSRTXSPPFNUGC-UHFFFAOYSA-N 0 2 354.388 2.237 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000175021928 327368623 /nfs/dbraw/zinc/36/86/23/327368623.db2.gz CQBWEWVBMZQESP-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=C([O-])[C@H]1CC12CCN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)CC2 ZINC000262056342 328838624 /nfs/dbraw/zinc/83/86/24/328838624.db2.gz CLDGYYXMOMOTIN-CYBMUJFWSA-N 0 2 370.365 2.107 20 5 FEBDLN Cn1cc(-c2[nH]ncc2C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000275861446 330097337 /nfs/dbraw/zinc/09/73/37/330097337.db2.gz YMTZDYKHSPSKTE-UHFFFAOYSA-N 0 2 368.397 2.471 20 5 FEBDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172720991 546265895 /nfs/dbraw/zinc/26/58/95/546265895.db2.gz OGMJBGTYJACEJY-UHFFFAOYSA-N 0 2 358.379 2.094 20 5 FEBDLN COCCn1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)cn1 ZINC000176640148 546472049 /nfs/dbraw/zinc/47/20/49/546472049.db2.gz VAZGHJSHUAKLBR-UHFFFAOYSA-N 0 2 374.806 2.200 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2nnc(C(F)F)s2)ccc1[N+](=O)[O-] ZINC000177604631 546651295 /nfs/dbraw/zinc/65/12/95/546651295.db2.gz NMHQCVXIGQFMJD-UHFFFAOYSA-N 0 2 350.328 2.493 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000178702068 546835044 /nfs/dbraw/zinc/83/50/44/546835044.db2.gz YVVOGNDYXLJKDF-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC(CN2CCCCC2=O)CC1 ZINC000179504836 546967102 /nfs/dbraw/zinc/96/71/02/546967102.db2.gz MAWCOYAGBHNXDH-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CN(Cc1ccccc1)C(=O)NCCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000483432340 561277079 /nfs/dbraw/zinc/27/70/79/561277079.db2.gz HYADAGLCDVIBLA-UHFFFAOYSA-N 0 2 372.381 2.471 20 5 FEBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000484512644 561298820 /nfs/dbraw/zinc/29/88/20/561298820.db2.gz GRMOAIOVTFVJOC-UHFFFAOYSA-N 0 2 370.339 2.043 20 5 FEBDLN Cc1nc(COc2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)no1 ZINC000486026287 561335821 /nfs/dbraw/zinc/33/58/21/561335821.db2.gz DIAHPFUVDCZTHZ-DAXSKMNVSA-N 0 2 371.309 2.237 20 5 FEBDLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186935180 548223868 /nfs/dbraw/zinc/22/38/68/548223868.db2.gz RDBAFTLJWWWCKY-UHFFFAOYSA-N 0 2 360.717 2.386 20 5 FEBDLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000486865105 561358539 /nfs/dbraw/zinc/35/85/39/561358539.db2.gz VQXUKPBSWMCQCI-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000195426685 548637652 /nfs/dbraw/zinc/63/76/52/548637652.db2.gz QTXDEFITQJLTDU-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000272432878 550447249 /nfs/dbraw/zinc/44/72/49/550447249.db2.gz SIZAGQGTFDASHH-SNVBAGLBSA-N 0 2 353.375 2.286 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2nnc(CC(C)(C)C)o2)c([N+](=O)[O-])c1 ZINC000278132469 550752803 /nfs/dbraw/zinc/75/28/03/550752803.db2.gz CJVCHCHCLNHMGJ-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CCC(C)C)o1 ZINC000278390168 550780202 /nfs/dbraw/zinc/78/02/02/550780202.db2.gz MTZKUOINZIMYJZ-UHFFFAOYSA-N 0 2 370.387 2.376 20 5 FEBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000284073747 551479038 /nfs/dbraw/zinc/47/90/38/551479038.db2.gz ZKGWFJXAZWUHGT-UHFFFAOYSA-N 0 2 360.342 2.474 20 5 FEBDLN O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1O ZINC000288541733 552171744 /nfs/dbraw/zinc/17/17/44/552171744.db2.gz HPRNDKIZZISCGK-GFCCVEGCSA-N 0 2 373.365 2.041 20 5 FEBDLN O=C(NCc1ccncc1OC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000288729807 552201990 /nfs/dbraw/zinc/20/19/90/552201990.db2.gz XHXBCNUFZGOBSZ-GFCCVEGCSA-N 0 2 373.365 2.041 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000500544236 561576518 /nfs/dbraw/zinc/57/65/18/561576518.db2.gz HOXUJRMWNZYEBJ-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)N[C@@H]1CCC[C@H]1OC(F)F ZINC000501427015 561597216 /nfs/dbraw/zinc/59/72/16/561597216.db2.gz VFYLPKLGUHNSOC-PSASIEDQSA-N 0 2 354.306 2.173 20 5 FEBDLN CC[C@H](CNC(=O)c1cccc(O)c1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000296900026 553227231 /nfs/dbraw/zinc/22/72/31/553227231.db2.gz LMTSJGHVBFNIQJ-SNVBAGLBSA-N 0 2 353.375 2.334 20 5 FEBDLN COc1cc(O)cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000504043402 561652227 /nfs/dbraw/zinc/65/22/27/561652227.db2.gz QMUAUZZWNGDKMD-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN O=C(Nc1c[nH]cc(Br)c1=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000507094213 561717348 /nfs/dbraw/zinc/71/73/48/561717348.db2.gz KZNGPEDDIOWGAW-UHFFFAOYSA-N 0 2 354.116 2.004 20 5 FEBDLN O=C(CCS(=O)(=O)c1nc2ccccc2[nH]1)Nc1ccccc1[N+](=O)[O-] ZINC000507707586 561738563 /nfs/dbraw/zinc/73/85/63/561738563.db2.gz FIFBMDZGLYOTAP-UHFFFAOYSA-N 0 2 374.378 2.274 20 5 FEBDLN CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330614588 554145789 /nfs/dbraw/zinc/14/57/89/554145789.db2.gz TTXIELMGFPYQHA-GFCCVEGCSA-N 0 2 363.414 2.315 20 5 FEBDLN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000330680065 554156207 /nfs/dbraw/zinc/15/62/07/554156207.db2.gz LQZQCLSYODQRGT-RYUDHWBXSA-N 0 2 363.414 2.408 20 5 FEBDLN CCOc1cccc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)n1 ZINC000510674838 561843044 /nfs/dbraw/zinc/84/30/44/561843044.db2.gz LUXXKRLOMUHKPU-UHFFFAOYSA-N 0 2 372.381 2.057 20 5 FEBDLN COc1cccc(N2CC[C@@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000510857215 561848550 /nfs/dbraw/zinc/84/85/50/561848550.db2.gz MDVKCZQYEUIDIG-GFCCVEGCSA-N 0 2 357.366 2.318 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC2CCOCC2)CC1 ZINC000363056694 555020428 /nfs/dbraw/zinc/02/04/28/555020428.db2.gz GIRARRYAGBCQSH-UHFFFAOYSA-N 0 2 350.371 2.101 20 5 FEBDLN Cn1cc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cn1 ZINC000363310850 555075669 /nfs/dbraw/zinc/07/56/69/555075669.db2.gz NZNZSCYATQJNRT-UHFFFAOYSA-N 0 2 359.367 2.191 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCCN(c2ncccc2F)CC1 ZINC000364770623 555398090 /nfs/dbraw/zinc/39/80/90/555398090.db2.gz NCBCAPXIDLFRRA-UHFFFAOYSA-N 0 2 360.345 2.187 20 5 FEBDLN Cc1noc(C)c1CO[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000368647279 556373345 /nfs/dbraw/zinc/37/33/45/556373345.db2.gz ZNNYRDIUBCTRHQ-ZDUSSCGKSA-N 0 2 361.354 2.337 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)cc1F ZINC000368654513 556375312 /nfs/dbraw/zinc/37/53/12/556375312.db2.gz ZQTWQCDILXLAEE-AWEZNQCLSA-N 0 2 368.342 2.351 20 5 FEBDLN O=C(N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000370578880 556912832 /nfs/dbraw/zinc/91/28/32/556912832.db2.gz DICXKDSEFXWLNQ-INIZCTEOSA-N 0 2 369.377 2.221 20 5 FEBDLN Cc1nnc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1C ZINC000370907924 557011016 /nfs/dbraw/zinc/01/10/16/557011016.db2.gz UVENDCLIRWXDSB-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN COc1ccccc1[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC[NH2+]1 ZINC000374344253 557868644 /nfs/dbraw/zinc/86/86/44/557868644.db2.gz CRIURUWHZFCBDT-CQSZACIVSA-N 0 2 357.366 2.096 20 5 FEBDLN COC(=O)[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1cccs1 ZINC000521146524 562170445 /nfs/dbraw/zinc/17/04/45/562170445.db2.gz CFDHNZRBNNHACH-CYBMUJFWSA-N 0 2 370.408 2.157 20 5 FEBDLN Cc1nc(CO[C@H]2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])C2)cs1 ZINC000376158918 558134875 /nfs/dbraw/zinc/13/48/75/558134875.db2.gz XKTLZYFRNRDAFV-ZDUSSCGKSA-N 0 2 363.395 2.497 20 5 FEBDLN O=C(NC[C@@H]1COC2(CCCCCC2)O1)c1cc(O)ccc1[N+](=O)[O-] ZINC000377596620 558373726 /nfs/dbraw/zinc/37/37/26/558373726.db2.gz ZWHYRDAWYXTSRE-CYBMUJFWSA-N 0 2 350.371 2.496 20 5 FEBDLN CCc1nn(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000410413060 558756032 /nfs/dbraw/zinc/75/60/32/558756032.db2.gz HAOZPMRHBLVOOK-UHFFFAOYSA-N 0 2 361.383 2.240 20 5 FEBDLN O=c1[nH]nc([C@@H]2CCCN(c3ncc([N+](=O)[O-])cc3C(F)(F)F)C2)[nH]1 ZINC000413303178 559097213 /nfs/dbraw/zinc/09/72/13/559097213.db2.gz YFQKEICHPNWGMG-SSDOTTSWSA-N 0 2 358.280 2.216 20 5 FEBDLN CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1C(N)=O ZINC000527029944 562273932 /nfs/dbraw/zinc/27/39/32/562273932.db2.gz TXOFURMXHZIVHO-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cn1 ZINC000430080218 559812589 /nfs/dbraw/zinc/81/25/89/559812589.db2.gz USKONUGPNDLUMC-UHFFFAOYSA-N 0 2 353.385 2.222 20 5 FEBDLN Cc1nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])c(C)s3)cn2n1 ZINC000430362052 559818580 /nfs/dbraw/zinc/81/85/80/559818580.db2.gz SGPCCTFYLHWVDR-UHFFFAOYSA-N 0 2 353.385 2.117 20 5 FEBDLN Cc1cc(OCC(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)ccc1[N+](=O)[O-] ZINC000430567378 559823000 /nfs/dbraw/zinc/82/30/00/559823000.db2.gz FLWUWOBMPGVFOY-UHFFFAOYSA-N 0 2 370.321 2.264 20 5 FEBDLN NC(=O)Nc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1F ZINC000431172793 559835328 /nfs/dbraw/zinc/83/53/28/559835328.db2.gz YRPZNXYHYLPSOL-UHFFFAOYSA-N 0 2 354.319 2.025 20 5 FEBDLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000436478244 559942596 /nfs/dbraw/zinc/94/25/96/559942596.db2.gz OYXSPABTYXMTSV-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN O=C(NC[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cc1O ZINC000436562096 559945432 /nfs/dbraw/zinc/94/54/32/559945432.db2.gz JNEZGOQANFBROE-NSHDSACASA-N 0 2 366.320 2.160 20 5 FEBDLN C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)C(=O)N1c1ccccc1 ZINC000436663952 559948136 /nfs/dbraw/zinc/94/81/36/559948136.db2.gz JQJWWMFVCFINES-IAQYHMDHSA-N 0 2 355.350 2.224 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000436669212 559948461 /nfs/dbraw/zinc/94/84/61/559948461.db2.gz ICXLDLZVZHRTEP-HNNXBMFYSA-N 0 2 355.350 2.226 20 5 FEBDLN O=C(NCCCn1cc(Br)cn1)c1ccc([N+](=O)[O-])cc1O ZINC000436741233 559950694 /nfs/dbraw/zinc/95/06/94/559950694.db2.gz SUKMVBIZYKFYQR-UHFFFAOYSA-N 0 2 369.175 2.080 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)CC(=O)N1Cc1ccccc1 ZINC000436782214 559951944 /nfs/dbraw/zinc/95/19/44/559951944.db2.gz MPNPHZIASWBKSL-LRDDRELGSA-N 0 2 369.377 2.220 20 5 FEBDLN O=C(Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436857710 559954431 /nfs/dbraw/zinc/95/44/31/559954431.db2.gz BZAQMGIGYSLFQQ-UHFFFAOYSA-N 0 2 369.333 2.202 20 5 FEBDLN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1OC ZINC000436952201 559957238 /nfs/dbraw/zinc/95/72/38/559957238.db2.gz IGRMVDDHKPBUFN-UHFFFAOYSA-N 0 2 362.338 2.256 20 5 FEBDLN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436948370 559957244 /nfs/dbraw/zinc/95/72/44/559957244.db2.gz OKVUNPHXMUECDW-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN CNC(=O)c1cc2cc(NC(=O)c3ccc(O)c([N+](=O)[O-])c3)ccc2[nH]1 ZINC000436996833 559959077 /nfs/dbraw/zinc/95/90/77/559959077.db2.gz HGLBVZTZXWRAPU-UHFFFAOYSA-N 0 2 354.322 2.394 20 5 FEBDLN O=C(NCc1noc(-c2ccccc2F)n1)c1cc([N+](=O)[O-])ccc1O ZINC000437007028 559959339 /nfs/dbraw/zinc/95/93/39/559959339.db2.gz YWKIJDILOZXICC-UHFFFAOYSA-N 0 2 358.285 2.420 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1N ZINC000439255301 559990814 /nfs/dbraw/zinc/99/08/14/559990814.db2.gz GOCPOZWCVMDJOJ-UHFFFAOYSA-N 0 2 365.367 2.073 20 5 FEBDLN CCOC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccccc1 ZINC000440180230 560006189 /nfs/dbraw/zinc/00/61/89/560006189.db2.gz GOMVFWIDVJXPLV-CQSZACIVSA-N 0 2 358.350 2.377 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccc(OC(C)C)nn1 ZINC000446970375 560154413 /nfs/dbraw/zinc/15/44/13/560154413.db2.gz ZUHDDDKJARQAEQ-UHFFFAOYSA-N 0 2 352.372 2.281 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cccc(O)c2[N+](=O)[O-])[C@@H]1n1cccn1 ZINC000456652346 560527402 /nfs/dbraw/zinc/52/74/02/560527402.db2.gz LEZNUXFKUYJYNG-BJJXKVORSA-N 0 2 374.397 2.424 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@H]1c1ccccc1 ZINC000456927920 560538778 /nfs/dbraw/zinc/53/87/78/560538778.db2.gz CYEMOSBDOBBWJT-HOTGVXAUSA-N 0 2 370.361 2.329 20 5 FEBDLN COC(=O)[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2O)C[C@@H]1c1ccccc1 ZINC000456968138 560541135 /nfs/dbraw/zinc/54/11/35/560541135.db2.gz WWCHYZZMOHNQPT-HZPDHXFCSA-N 0 2 370.361 2.329 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc([S@@](C)=O)cc1 ZINC000462097717 560796865 /nfs/dbraw/zinc/79/68/65/560796865.db2.gz ADJLEQXABGXFQL-HSZRJFAPSA-N 0 2 370.408 2.142 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC(=O)N1Cc1ccccc1 ZINC000467830446 560918455 /nfs/dbraw/zinc/91/84/55/560918455.db2.gz BCULYMPEJXVHQS-WFASDCNBSA-N 0 2 369.377 2.220 20 5 FEBDLN COc1cccc(-c2nc(=NC(=O)c3ccc([N+](=O)[O-])n3C)s[nH]2)c1 ZINC000476328424 561116632 /nfs/dbraw/zinc/11/66/32/561116632.db2.gz YBMJOTXWSIOEGY-UHFFFAOYSA-N 0 2 359.367 2.135 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C)cnc2OC)cc1[N+](=O)[O-] ZINC000476430486 561119165 /nfs/dbraw/zinc/11/91/65/561119165.db2.gz OSZMZJUZSRLLMW-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc3c2OCCO3)c([N+](=O)[O-])c1 ZINC000534614486 562538268 /nfs/dbraw/zinc/53/82/68/562538268.db2.gz ZVPJVQCOJPYSTN-UHFFFAOYSA-N 0 2 366.351 2.175 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cccc3c2OCCO3)ccc1[N+](=O)[O-] ZINC000534619711 562538393 /nfs/dbraw/zinc/53/83/93/562538393.db2.gz UDCXEDQNKMBILC-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)oc2C)cc([N+](=O)[O-])c1 ZINC000537346725 562589856 /nfs/dbraw/zinc/58/98/56/562589856.db2.gz BFFUPTCESOYGPS-UHFFFAOYSA-N 0 2 354.340 2.392 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738630940 601959043 /nfs/dbraw/zinc/95/90/43/601959043.db2.gz TYTRJMKGBJVQSY-NXEZZACHSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@H](CNC(=O)[O-])C1 ZINC000738630940 601959047 /nfs/dbraw/zinc/95/90/47/601959047.db2.gz TYTRJMKGBJVQSY-NXEZZACHSA-N 0 2 370.793 2.165 20 5 FEBDLN CN(C(=O)[O-])C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000737937615 602537939 /nfs/dbraw/zinc/53/79/39/602537939.db2.gz KTXJNEHBVDPOTK-UHFFFAOYSA-N 0 2 361.358 2.219 20 5 FEBDLN C[C@@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000825831647 605851751 /nfs/dbraw/zinc/85/17/51/605851751.db2.gz MPARZMQYPKYWBT-DGCLKSJQSA-N 0 2 373.369 2.041 20 5 FEBDLN O=C(CSc1ccc(-c2nn[nH]n2)cc1)Nc1cc([N+](=O)[O-])ccc1O ZINC000826420916 608015119 /nfs/dbraw/zinc/01/51/19/608015119.db2.gz IYRJLZCEBFJCSN-UHFFFAOYSA-N 0 2 372.366 2.211 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CC[NH2+][C@H](c2ccncc2)C1 ZINC000579596963 671747265 /nfs/dbraw/zinc/74/72/65/671747265.db2.gz RZCSOBXKSHFVAT-ZDUSSCGKSA-N 0 2 362.773 2.136 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609910105 675942742 /nfs/dbraw/zinc/94/27/42/675942742.db2.gz LKLPUMFCLVGHLW-UHFFFAOYSA-N 0 2 353.356 2.127 20 5 FEBDLN CCc1ccncc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593285790 672903542 /nfs/dbraw/zinc/90/35/42/672903542.db2.gz XUROHVOASMMNRX-UHFFFAOYSA-N 0 2 365.367 2.124 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccc3c(n2)OCCO3)c1 ZINC000594725887 673123781 /nfs/dbraw/zinc/12/37/81/673123781.db2.gz BCPBDZMHGYSLOH-UHFFFAOYSA-N 0 2 365.367 2.179 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000602044614 673901390 /nfs/dbraw/zinc/90/13/90/673901390.db2.gz WRAJLQSOULRDAR-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000830817084 677062838 /nfs/dbraw/zinc/06/28/38/677062838.db2.gz XLEAJMXBGHTWFS-ZDUSSCGKSA-N 0 2 363.267 2.017 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c(N(C)C)n1 ZINC000749754047 680072064 /nfs/dbraw/zinc/07/20/64/680072064.db2.gz IEXPOCRTDXJOLF-UHFFFAOYSA-N 0 2 350.400 2.473 20 5 FEBDLN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000753975376 680327820 /nfs/dbraw/zinc/32/78/20/680327820.db2.gz FEISHVWWQXRSHF-CFDVYZKQSA-N 0 2 365.411 2.497 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2cncn2)cs1 ZINC000768867409 680962537 /nfs/dbraw/zinc/96/25/37/680962537.db2.gz WVPFRWZHZHBDNR-UHFFFAOYSA-N 0 2 351.369 2.038 20 5 FEBDLN COCCOc1cccc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000768882850 680963148 /nfs/dbraw/zinc/96/31/48/680963148.db2.gz PILUDNNMMOBMTH-UHFFFAOYSA-N 0 2 358.397 2.482 20 5 FEBDLN CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000776195676 681371049 /nfs/dbraw/zinc/37/10/49/681371049.db2.gz DAILXNYJBDJMSG-UHFFFAOYSA-N 0 2 350.352 2.346 20 5 FEBDLN COCCn1c(=O)cc(O)nc1SCc1c(F)cc([N+](=O)[O-])cc1F ZINC000853642971 682451242 /nfs/dbraw/zinc/45/12/42/682451242.db2.gz OLGXLCHVVOVRBH-UHFFFAOYSA-N 0 2 373.337 2.074 20 5 FEBDLN CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000796564759 683171977 /nfs/dbraw/zinc/17/19/77/683171977.db2.gz UTSWUWAINLSURF-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000055576429 540660766 /nfs/dbraw/zinc/66/07/66/540660766.db2.gz JEPFRJAJYZHBTF-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN Nc1c(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)cc(F)cc1[N+](=O)[O-] ZINC000068338446 541578185 /nfs/dbraw/zinc/57/81/85/541578185.db2.gz RTMZRIKZXUABAP-UHFFFAOYSA-N 0 2 359.273 2.324 20 5 FEBDLN O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000021028192 220349697 /nfs/dbraw/zinc/34/96/97/220349697.db2.gz JPJWOQSQKVHPSQ-UHFFFAOYSA-N 0 2 369.333 2.315 20 5 FEBDLN Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000109626223 543329068 /nfs/dbraw/zinc/32/90/68/543329068.db2.gz OHLXRMBJMHVPNY-UHFFFAOYSA-N 0 2 359.321 2.053 20 5 FEBDLN CN1CCc2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2C1=O ZINC000122797297 543724291 /nfs/dbraw/zinc/72/42/91/543724291.db2.gz OSFXZLGBOVMJAK-UHFFFAOYSA-N 0 2 361.379 2.024 20 5 FEBDLN COCCn1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)n1 ZINC000130628833 544158699 /nfs/dbraw/zinc/15/86/99/544158699.db2.gz MISPZTLZPITQPP-UHFFFAOYSA-N 0 2 374.806 2.200 20 5 FEBDLN COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1[N+](=O)[O-] ZINC000134082447 544293730 /nfs/dbraw/zinc/29/37/30/544293730.db2.gz LWTGARQBHMYZMI-UHFFFAOYSA-N 0 2 374.378 2.174 20 5 FEBDLN CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000803101190 674222439 /nfs/dbraw/zinc/22/24/39/674222439.db2.gz WODDUEQNPSVGBC-SNAWJCMRSA-N 0 2 351.359 2.111 20 5 FEBDLN O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000181872361 327750285 /nfs/dbraw/zinc/75/02/85/327750285.db2.gz SLHOKNSVUNZODM-UHFFFAOYSA-N 0 2 373.340 2.038 20 5 FEBDLN Cc1ccc(CN2CC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2=O)cc1 ZINC000192288604 328311224 /nfs/dbraw/zinc/31/12/24/328311224.db2.gz RGNGBEYIMUMXKQ-HNNXBMFYSA-N 0 2 369.377 2.140 20 5 FEBDLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000028695494 324442355 /nfs/dbraw/zinc/44/23/55/324442355.db2.gz KCQFNOQSPXNXRI-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN COc1ccccc1C[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000132028000 326585843 /nfs/dbraw/zinc/58/58/43/326585843.db2.gz VPFYJBWYJFYJLJ-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN Cn1cc(Br)c(=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000166411582 327081742 /nfs/dbraw/zinc/08/17/42/327081742.db2.gz OOPLSTFWQRELQB-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)cc1 ZINC000171343353 327133609 /nfs/dbraw/zinc/13/36/09/327133609.db2.gz XWTQMYBQWLCIOJ-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN COC[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000175349048 327388641 /nfs/dbraw/zinc/38/86/41/327388641.db2.gz WXNRXALZOQLDEK-LLVKDONJSA-N 0 2 358.347 2.301 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1noc(C(C)(C)C)n1 ZINC000272374989 329775384 /nfs/dbraw/zinc/77/53/84/329775384.db2.gz ALJGBVUGYWQYLE-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN COc1cc(OC)cc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000479377037 561188483 /nfs/dbraw/zinc/18/84/83/561188483.db2.gz AKSWQHVNZGRVGV-UHFFFAOYSA-N 0 2 362.338 2.126 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000481819517 561243181 /nfs/dbraw/zinc/24/31/81/561243181.db2.gz ZECHDCJDAJJOIN-UHFFFAOYSA-N 0 2 366.351 2.441 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)[nH]n2)cc1[N+](=O)[O-] ZINC000481862133 561244119 /nfs/dbraw/zinc/24/41/19/561244119.db2.gz KCQQOURZFVEVSI-CYBMUJFWSA-N 0 2 352.372 2.279 20 5 FEBDLN O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1O ZINC000179452650 546956549 /nfs/dbraw/zinc/95/65/49/546956549.db2.gz MKWHTKVEPCGHGX-MRXNPFEDSA-N 0 2 369.377 2.394 20 5 FEBDLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000274322431 550532620 /nfs/dbraw/zinc/53/26/20/550532620.db2.gz DCEXPLWASMBSGX-LBPRGKRZSA-N 0 2 350.371 2.494 20 5 FEBDLN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nnc([C@@H]2CCCO2)o1 ZINC000278366479 550777904 /nfs/dbraw/zinc/77/79/04/550777904.db2.gz KCQUIPANPGBNTF-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000278385581 550779661 /nfs/dbraw/zinc/77/96/61/550779661.db2.gz JMYWKPFQGBTGBE-LLVKDONJSA-N 0 2 369.374 2.169 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)c1[N+](=O)[O-] ZINC000278444537 550786854 /nfs/dbraw/zinc/78/68/54/550786854.db2.gz WPAVNBVACMQAAX-JTQLQIEISA-N 0 2 368.371 2.247 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1CCC(CN2CCCCC2=O)CC1 ZINC000280974483 551050953 /nfs/dbraw/zinc/05/09/53/551050953.db2.gz OUOBKORRSOZEKD-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000283358393 551353436 /nfs/dbraw/zinc/35/34/36/551353436.db2.gz BNULQQKBYZDSNW-UHFFFAOYSA-N 0 2 363.395 2.140 20 5 FEBDLN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000288076010 552086413 /nfs/dbraw/zinc/08/64/13/552086413.db2.gz GEVFPVALLYHTTD-GWCFXTLKSA-N 0 2 365.386 2.428 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnc(C)nc2C2CC2)ccc1[N+](=O)[O-] ZINC000500543610 561576564 /nfs/dbraw/zinc/57/65/64/561576564.db2.gz DWDYDGFXCQKGGC-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN CCN(CC)C(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2O)CC1 ZINC000330633326 554148770 /nfs/dbraw/zinc/14/87/70/554148770.db2.gz JWNRHGTTWHVDQM-UHFFFAOYSA-N 0 2 364.402 2.413 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1CCC2(C[C@@H]2C(=O)N2CCCC2)CC1 ZINC000360673849 554884402 /nfs/dbraw/zinc/88/44/02/554884402.db2.gz SHIYQFWJPKBKBV-OAHLLOKOSA-N 0 2 373.409 2.165 20 5 FEBDLN O=C([O-])[C@]12CCC[C@@H]1CN(C(=O)c1ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c1)C2 ZINC000366935879 555975531 /nfs/dbraw/zinc/97/55/31/555975531.db2.gz LJOKJLJZUDYEHC-ACJLOTCBSA-N 0 2 370.365 2.107 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3F)c2)c1 ZINC000367017511 555998420 /nfs/dbraw/zinc/99/84/20/555998420.db2.gz QMMDTTVBGRWJHL-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc2c(s1)CCS(=O)(=O)C2 ZINC000367495381 556066548 /nfs/dbraw/zinc/06/65/48/556066548.db2.gz NDLGPNXIMKEOPZ-UHFFFAOYSA-N 0 2 368.392 2.085 20 5 FEBDLN C[C@@H]1[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])CC(=O)N1Cc1ccccc1 ZINC000367632556 556101259 /nfs/dbraw/zinc/10/12/59/556101259.db2.gz DUFLHPXRFBKYGD-WBMJQRKESA-N 0 2 369.377 2.220 20 5 FEBDLN COC(=O)[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc21 ZINC000371771359 557289015 /nfs/dbraw/zinc/28/90/15/557289015.db2.gz CJVRJNGZNOMQKZ-KBPBESRZSA-N 0 2 356.334 2.432 20 5 FEBDLN COCC(=O)N1CCc2c1cccc2NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000371876374 557317225 /nfs/dbraw/zinc/31/72/25/557317225.db2.gz LXAOMONTWJXHBC-UHFFFAOYSA-N 0 2 371.349 2.088 20 5 FEBDLN COC(=O)[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1C)c1cccs1 ZINC000518954502 562121762 /nfs/dbraw/zinc/12/17/62/562121762.db2.gz ZTWNCPRGTLLJLK-ZDUSSCGKSA-N 0 2 370.408 2.157 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000376066798 558122280 /nfs/dbraw/zinc/12/22/80/558122280.db2.gz KLZXZDKOZFHHRY-LLVKDONJSA-N 0 2 357.370 2.316 20 5 FEBDLN COC(=O)[C@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])c2ccccc21 ZINC000376091322 558125554 /nfs/dbraw/zinc/12/55/54/558125554.db2.gz IUQKTRFTSXCXSD-ZFWWWQNUSA-N 0 2 356.334 2.432 20 5 FEBDLN O=C(NCCCN(C(=O)C1CCC1)C1CC1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000521797474 562183647 /nfs/dbraw/zinc/18/36/47/562183647.db2.gz UTEAUAQHRGSBKS-UHFFFAOYSA-N 0 2 361.398 2.211 20 5 FEBDLN CC1CCC2(CC1)OC[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])O2 ZINC000377595563 558373253 /nfs/dbraw/zinc/37/32/53/558373253.db2.gz PHTVKUFLMIXAOP-XKZABGERSA-N 0 2 350.371 2.352 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000378563963 558584206 /nfs/dbraw/zinc/58/42/06/558584206.db2.gz YNHMLCUCBMBMTJ-AWEZNQCLSA-N 0 2 371.349 2.249 20 5 FEBDLN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1)c1ccccc1[N+](=O)[O-] ZINC000412323297 559027921 /nfs/dbraw/zinc/02/79/21/559027921.db2.gz IQAWPAPBFQMBEC-LLVKDONJSA-N 0 2 359.386 2.102 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)cc1[N+](=O)[O-] ZINC000421170401 559528534 /nfs/dbraw/zinc/52/85/34/559528534.db2.gz DNBFGUCUFJFGLT-UHFFFAOYSA-N 0 2 354.388 2.490 20 5 FEBDLN O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)NCc1ccccc1 ZINC000429868074 559807449 /nfs/dbraw/zinc/80/74/49/559807449.db2.gz OMRXBIVFINJVPW-UHFFFAOYSA-N 0 2 354.322 2.209 20 5 FEBDLN COC(=O)c1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)ccc1OC ZINC000436673814 559948371 /nfs/dbraw/zinc/94/83/71/559948371.db2.gz MXYZESRUSCIKNU-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN CN(C)C(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436862331 559954790 /nfs/dbraw/zinc/95/47/90/559954790.db2.gz NITWZEMNNIPZSV-UHFFFAOYSA-N 0 2 359.338 2.020 20 5 FEBDLN O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000436870654 559954927 /nfs/dbraw/zinc/95/49/27/559954927.db2.gz QSJVNYHVCUBGDG-YJBOKZPZSA-N 0 2 360.341 2.336 20 5 FEBDLN CC(C)c1nc([C@@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000436904400 559956061 /nfs/dbraw/zinc/95/60/61/559956061.db2.gz PZGBHHOLGRFKLR-LBPRGKRZSA-N 0 2 362.342 2.021 20 5 FEBDLN COC(=O)[C@H]1c2ccccc2CCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436970864 559957862 /nfs/dbraw/zinc/95/78/62/559957862.db2.gz GEBWPMAVUJHMQE-MRXNPFEDSA-N 0 2 356.334 2.213 20 5 FEBDLN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000437003177 559959344 /nfs/dbraw/zinc/95/93/44/559959344.db2.gz RLKJOSHKWKUKGE-BBRMVZONSA-N 0 2 360.370 2.338 20 5 FEBDLN CNc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[nH]3)cc2)cc1[N+](=O)[O-] ZINC000527496657 562290089 /nfs/dbraw/zinc/29/00/89/562290089.db2.gz OABBNCJRWFTXFK-UHFFFAOYSA-N 0 2 355.310 2.232 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(CCn3nnc4ccccc43)no2)cc1O ZINC000445382289 560132167 /nfs/dbraw/zinc/13/21/67/560132167.db2.gz CWUPYMBPZCEMGI-UHFFFAOYSA-N 0 2 352.310 2.338 20 5 FEBDLN COc1c(F)cc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000461339627 560767074 /nfs/dbraw/zinc/76/70/74/560767074.db2.gz AEBAJNXUKRLGCC-UHFFFAOYSA-N 0 2 370.362 2.154 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(OCCO)cc2)cc1[N+](=O)[O-] ZINC000466952686 560900270 /nfs/dbraw/zinc/90/02/70/560900270.db2.gz CGKIUIQXWBTHSG-UHFFFAOYSA-N 0 2 358.397 2.137 20 5 FEBDLN Cc1ccc(NS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000476793350 561128680 /nfs/dbraw/zinc/12/86/80/561128680.db2.gz OKPHVEHOPISGAO-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN Cn1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)n1 ZINC000541872167 562621621 /nfs/dbraw/zinc/62/16/21/562621621.db2.gz ZBASXOQMZRWAPW-UHFFFAOYSA-N 0 2 364.774 2.174 20 5 FEBDLN CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000569356922 568396107 /nfs/dbraw/zinc/39/61/07/568396107.db2.gz PTNQFMFYYBXXHJ-HNNXBMFYSA-N 0 2 360.370 2.352 20 5 FEBDLN Cc1csc([C@H](NS(=O)(=O)c2cccnc2[N+](=O)[O-])C2CC2)n1 ZINC000569870235 568432156 /nfs/dbraw/zinc/43/21/56/568432156.db2.gz UCMCLTIMWUKWQM-LLVKDONJSA-N 0 2 354.413 2.184 20 5 FEBDLN CSc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc1[N+](=O)[O-] ZINC000556791206 674420182 /nfs/dbraw/zinc/42/01/82/674420182.db2.gz JABSEQLLYGOMTI-UHFFFAOYSA-N 0 2 363.399 2.160 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630943 601959446 /nfs/dbraw/zinc/95/94/46/601959446.db2.gz TYTRJMKGBJVQSY-ZJUUUORDSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738630943 601959448 /nfs/dbraw/zinc/95/94/48/601959448.db2.gz TYTRJMKGBJVQSY-ZJUUUORDSA-N 0 2 370.793 2.165 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740153329 602266464 /nfs/dbraw/zinc/26/64/64/602266464.db2.gz QXOKLHYGXWMPGO-SWLSCSKDSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)[O-] ZINC000740153329 602266466 /nfs/dbraw/zinc/26/64/66/602266466.db2.gz QXOKLHYGXWMPGO-SWLSCSKDSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830531039 604216459 /nfs/dbraw/zinc/21/64/59/604216459.db2.gz AUFJVYMUCAFNKU-CHWSQXEVSA-N 0 2 364.402 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)[O-])C1 ZINC000830531039 604216462 /nfs/dbraw/zinc/21/64/62/604216462.db2.gz AUFJVYMUCAFNKU-CHWSQXEVSA-N 0 2 364.402 2.210 20 5 FEBDLN O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCN(c2cccc[nH+]2)CC1 ZINC000572646315 671027486 /nfs/dbraw/zinc/02/74/86/671027486.db2.gz TWWYIXYSTVXBIC-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221905 675195453 /nfs/dbraw/zinc/19/54/53/675195453.db2.gz QXMRIBGXZGZGGS-UWVGGRQHSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221905 675195456 /nfs/dbraw/zinc/19/54/56/675195456.db2.gz QXMRIBGXZGZGGS-UWVGGRQHSA-N 0 2 355.778 2.372 20 5 FEBDLN COC(=O)c1sc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)nc1C ZINC000609691165 675932806 /nfs/dbraw/zinc/93/28/06/675932806.db2.gz WGSBTTPFYDRUBT-UHFFFAOYSA-N 0 2 371.396 2.256 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 ZINC000609691093 675932836 /nfs/dbraw/zinc/93/28/36/675932836.db2.gz UVISLGGEBHDAAO-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)cs1 ZINC000119992939 671914488 /nfs/dbraw/zinc/91/44/88/671914488.db2.gz DBEBOOXEVHCEQY-UHFFFAOYSA-N 0 2 354.413 2.452 20 5 FEBDLN Cn1cnc(-c2ccc(NS(=O)(=O)c3csc([N+](=O)[O-])c3)cc2)n1 ZINC000120306452 671922272 /nfs/dbraw/zinc/92/22/72/671922272.db2.gz KJDUSNRHAWNNLL-UHFFFAOYSA-N 0 2 365.396 2.253 20 5 FEBDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000172889673 672345503 /nfs/dbraw/zinc/34/55/03/672345503.db2.gz ZTAHTAGUDJEUAO-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000611741130 676052888 /nfs/dbraw/zinc/05/28/88/676052888.db2.gz IHJYRLSSHFNFCB-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN C[C@H](C(=O)Nc1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(F)cc1 ZINC000614272376 676167770 /nfs/dbraw/zinc/16/77/70/676167770.db2.gz LRWDXKKJORUFLL-SECBINFHSA-N 0 2 368.342 2.240 20 5 FEBDLN CCn1cc([C@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000618919868 676356777 /nfs/dbraw/zinc/35/67/77/676356777.db2.gz XTYDNOOBWDNPGR-CQSZACIVSA-N 0 2 362.411 2.447 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)cc1 ZINC000619466301 676377939 /nfs/dbraw/zinc/37/79/39/676377939.db2.gz KPCGQEXMXINEDW-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccccc1N(C)C ZINC000619507025 676382596 /nfs/dbraw/zinc/38/25/96/676382596.db2.gz SJANGUVIFLHKBB-UHFFFAOYSA-N 0 2 351.384 2.470 20 5 FEBDLN Cc1cc(S(=O)(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000921855210 683595268 /nfs/dbraw/zinc/59/52/68/683595268.db2.gz RRXHZXWBJPXMIJ-VXNVDRBHSA-N 0 2 374.362 2.210 20 5 FEBDLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])s2)n1 ZINC000066247295 541294487 /nfs/dbraw/zinc/29/44/87/541294487.db2.gz FQYAXUFYKNQNNW-UHFFFAOYSA-N 0 2 363.398 2.090 20 5 FEBDLN CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000067147958 541424805 /nfs/dbraw/zinc/42/48/05/541424805.db2.gz CCBUPWXBRNKGDP-OCCSQVGLSA-N 0 2 363.414 2.457 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(CC3CC3)nc2)cc1[N+](=O)[O-] ZINC000551403704 674143028 /nfs/dbraw/zinc/14/30/28/674143028.db2.gz XEDFLDVVEONWKR-UHFFFAOYSA-N 0 2 364.383 2.147 20 5 FEBDLN O=C(CCCNC(=O)c1ccc([N+](=O)[O-])c(O)c1)N1CCc2ccccc21 ZINC000111658790 543410735 /nfs/dbraw/zinc/41/07/35/543410735.db2.gz NTUNLLIKHTVSLY-UHFFFAOYSA-N 0 2 369.377 2.400 20 5 FEBDLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000116214226 543605330 /nfs/dbraw/zinc/60/53/30/543605330.db2.gz GHBOQUQFFHLCHV-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN CC(C)Oc1ccc(CNS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cn1 ZINC000123725108 543779347 /nfs/dbraw/zinc/77/93/47/543779347.db2.gz MBKQFFGXPSDNFY-UHFFFAOYSA-N 0 2 369.374 2.395 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000126584589 543945008 /nfs/dbraw/zinc/94/50/08/543945008.db2.gz JUHXYPAKXRIWGR-JSGCOSHPSA-N 0 2 363.414 2.457 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)cc1 ZINC000126900629 543962436 /nfs/dbraw/zinc/96/24/36/543962436.db2.gz MGNLSYVDZZUUFC-UHFFFAOYSA-N 0 2 352.372 2.013 20 5 FEBDLN Cc1cccn2cc(C[N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])[nH+]c12 ZINC000128806732 544073920 /nfs/dbraw/zinc/07/39/20/544073920.db2.gz FIPUQQCHRIMGQA-UHFFFAOYSA-N 0 2 364.358 2.169 20 5 FEBDLN Cc1cccn2cc(CNS(=O)(=O)c3c(F)cccc3[N+](=O)[O-])nc12 ZINC000128806732 544073922 /nfs/dbraw/zinc/07/39/22/544073922.db2.gz FIPUQQCHRIMGQA-UHFFFAOYSA-N 0 2 364.358 2.169 20 5 FEBDLN CC(C)n1cnnc1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000185556384 327922258 /nfs/dbraw/zinc/92/22/58/327922258.db2.gz IKQMPUTTWQBNQV-UHFFFAOYSA-N 0 2 359.386 2.493 20 5 FEBDLN Cn1cc(Br)cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1=O ZINC000187791903 328046285 /nfs/dbraw/zinc/04/62/85/328046285.db2.gz SCNNACKKNRAORL-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN O=[N+]([O-])c1ccccc1CS(=O)(=O)Nc1cn(Cc2ccccc2)nn1 ZINC000190346289 328201636 /nfs/dbraw/zinc/20/16/36/328201636.db2.gz DSADLFIROMSVEQ-UHFFFAOYSA-N 0 2 373.394 2.177 20 5 FEBDLN COc1ccccc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1 ZINC000194738285 328437985 /nfs/dbraw/zinc/43/79/85/328437985.db2.gz BOOUOEVDIMXIFH-UHFFFAOYSA-N 0 2 357.366 2.271 20 5 FEBDLN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)n[nH]1 ZINC000089531069 325321198 /nfs/dbraw/zinc/32/11/98/325321198.db2.gz XFENATWAHCLEJC-UHFFFAOYSA-N 0 2 356.342 2.293 20 5 FEBDLN CCC(CC)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)N1CCOCC1 ZINC000092546080 325418957 /nfs/dbraw/zinc/41/89/57/325418957.db2.gz INHACUWIKZVBAW-MRXNPFEDSA-N 0 2 351.403 2.376 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2)ccc1[N+](=O)[O-] ZINC000125070803 326464751 /nfs/dbraw/zinc/46/47/51/326464751.db2.gz PECLOEYQJRHDBC-UHFFFAOYSA-N 0 2 354.388 2.257 20 5 FEBDLN CCCCN(C)C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157607794 326869932 /nfs/dbraw/zinc/86/99/32/326869932.db2.gz BQJFQHNDBZSRCO-UHFFFAOYSA-N 0 2 363.414 2.411 20 5 FEBDLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000165139431 327076757 /nfs/dbraw/zinc/07/67/57/327076757.db2.gz QOTVJTUCBKKDBQ-GFCCVEGCSA-N 0 2 366.399 2.170 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)s1 ZINC000267634564 329345370 /nfs/dbraw/zinc/34/53/70/329345370.db2.gz IIEIYLZQIISUMZ-UHFFFAOYSA-N 0 2 358.401 2.208 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1c2c(nn1C)CCC2 ZINC000270475964 329603761 /nfs/dbraw/zinc/60/37/61/329603761.db2.gz OKZLJUAATQNXIX-UHFFFAOYSA-N 0 2 350.400 2.180 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000275131120 330013649 /nfs/dbraw/zinc/01/36/49/330013649.db2.gz OPIFBARRCYNACC-LBPRGKRZSA-N 0 2 362.386 2.167 20 5 FEBDLN Cc1c(CC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cccc1[N+](=O)[O-] ZINC000160392324 546036186 /nfs/dbraw/zinc/03/61/86/546036186.db2.gz CZJXHCLXHJMAMH-UHFFFAOYSA-N 0 2 372.406 2.402 20 5 FEBDLN O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccc([N+](=O)[O-])c(O)c1 ZINC000171200103 546196600 /nfs/dbraw/zinc/19/66/00/546196600.db2.gz UEQHDJOBIBPGIV-UHFFFAOYSA-N 0 2 374.378 2.470 20 5 FEBDLN Cc1cc2c(cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(C)n1)OCO2 ZINC000481834110 561243392 /nfs/dbraw/zinc/24/33/92/561243392.db2.gz WMSFWKMTWPLSHD-UHFFFAOYSA-N 0 2 351.340 2.136 20 5 FEBDLN O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-n2cnnn2)cc1Cl ZINC000180766385 547175925 /nfs/dbraw/zinc/17/59/25/547175925.db2.gz YYNBRIFCQVHHJX-UHFFFAOYSA-N 0 2 360.717 2.182 20 5 FEBDLN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000180769221 547175994 /nfs/dbraw/zinc/17/59/94/547175994.db2.gz ONJVHIDLDVSSFV-MRXNPFEDSA-N 0 2 369.377 2.473 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cccc(OC)c2O)c([N+](=O)[O-])c1 ZINC000484249967 561294622 /nfs/dbraw/zinc/29/46/22/561294622.db2.gz BOYLMOKNZXCRNI-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000186162154 548093252 /nfs/dbraw/zinc/09/32/52/548093252.db2.gz UDFILELGZWYBJQ-LBPRGKRZSA-N 0 2 363.414 2.315 20 5 FEBDLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000242512700 548886695 /nfs/dbraw/zinc/88/66/95/548886695.db2.gz BWTIUMTZKSLIHK-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN C[C@H]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H](C(=O)[O-])C1 ZINC000262988805 549868642 /nfs/dbraw/zinc/86/86/42/549868642.db2.gz LGIKWHLCIBROIC-NHYWBVRUSA-N 0 2 358.354 2.106 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2noc(C(C)(C)C)n2)ccc1[N+](=O)[O-] ZINC000272408367 550445311 /nfs/dbraw/zinc/44/53/11/550445311.db2.gz GDCSESRWKCXOMH-UHFFFAOYSA-N 0 2 356.360 2.085 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc([C@H]2CCCOC2)[nH]n1 ZINC000280412945 550990909 /nfs/dbraw/zinc/99/09/09/550990909.db2.gz YPTNLNWMKZNEEH-NSHDSACASA-N 0 2 366.399 2.321 20 5 FEBDLN COc1ccccc1C[NH+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000280901091 551044049 /nfs/dbraw/zinc/04/40/49/551044049.db2.gz HPBIMIMUZKXRSP-UHFFFAOYSA-N 0 2 371.393 2.267 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000284119128 551487184 /nfs/dbraw/zinc/48/71/84/551487184.db2.gz PRXAGCODZFJTAS-UHFFFAOYSA-N 0 2 363.395 2.350 20 5 FEBDLN C[C@H]1CCN(c2ncc([N+](=O)[O-])s2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000288497395 552163395 /nfs/dbraw/zinc/16/33/95/552163395.db2.gz MFZSHJFPQVMSRU-ZKWXMUAHSA-N 0 2 352.338 2.333 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000291085376 552585273 /nfs/dbraw/zinc/58/52/73/552585273.db2.gz KFBQHAAZDZZSKA-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN COCCOCc1ccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000291572279 552638938 /nfs/dbraw/zinc/63/89/38/552638938.db2.gz YCMQUJGIYRECAI-UHFFFAOYSA-N 0 2 360.366 2.393 20 5 FEBDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295339086 552989919 /nfs/dbraw/zinc/98/99/19/552989919.db2.gz MJYZDNDUJYYYNY-CABZTGNLSA-N 0 2 361.320 2.475 20 5 FEBDLN COc1ccc(O)c(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])c1 ZINC000326064213 553779152 /nfs/dbraw/zinc/77/91/52/553779152.db2.gz FSFIKMQCFARMTQ-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1cccc(O)c1[N+](=O)[O-] ZINC000330680066 554156396 /nfs/dbraw/zinc/15/63/96/554156396.db2.gz LQZQCLSYODQRGT-TXEJJXNPSA-N 0 2 363.414 2.408 20 5 FEBDLN CCOC(=O)[C@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])Cc1ccccc1 ZINC000508689807 561769659 /nfs/dbraw/zinc/76/96/59/561769659.db2.gz OJWYQRLNSWLUID-AWEZNQCLSA-N 0 2 372.377 2.452 20 5 FEBDLN C[C@@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@]2(CCO[C@H](C)C2)O1 ZINC000367639725 556102758 /nfs/dbraw/zinc/10/27/58/556102758.db2.gz WYWBCYQMBUCEJV-QFSBIZTOSA-N 0 2 350.371 2.099 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccn2)cc1[N+](=O)[O-] ZINC000371214478 557109510 /nfs/dbraw/zinc/10/95/10/557109510.db2.gz XXMPFFGZOPKLAV-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000517702836 562095664 /nfs/dbraw/zinc/09/56/64/562095664.db2.gz LWIPELDAXWSGRW-UHFFFAOYSA-N 0 2 354.322 2.210 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnccc1-n1cccn1 ZINC000518060507 562103584 /nfs/dbraw/zinc/10/35/84/562103584.db2.gz BJGYFAFURFNCIF-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c2ccccc21 ZINC000371771361 557289088 /nfs/dbraw/zinc/28/90/88/557289088.db2.gz CJVRJNGZNOMQKZ-UONOGXRCSA-N 0 2 356.334 2.432 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc([S@](C)=O)c1 ZINC000521916543 562186245 /nfs/dbraw/zinc/18/62/45/562186245.db2.gz FESLEUCJQVAZQI-QHCPKHFHSA-N 0 2 370.408 2.142 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2nncn2C2CC2)CC1 ZINC000377615121 558377567 /nfs/dbraw/zinc/37/75/67/558377567.db2.gz MNPOCKIJYIOILX-UHFFFAOYSA-N 0 2 357.370 2.247 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1OCC(=O)N2 ZINC000378015345 558463297 /nfs/dbraw/zinc/46/32/97/558463297.db2.gz FWZFBPUZEYKKHL-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cccc2c1OCC2 ZINC000421226817 559532095 /nfs/dbraw/zinc/53/20/95/559532095.db2.gz BNJHQQJVONKJPW-UHFFFAOYSA-N 0 2 364.379 2.477 20 5 FEBDLN Cc1cnn(-c2c(C(=O)Nc3cc([N+](=O)[O-])ccc3O)c(C)nn2C)c1 ZINC000427627822 559759119 /nfs/dbraw/zinc/75/91/19/559759119.db2.gz DRJDOZMGENCVFS-UHFFFAOYSA-N 0 2 356.342 2.089 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OC3COC3)cc2)c([N+](=O)[O-])c1 ZINC000436147452 559936115 /nfs/dbraw/zinc/93/61/15/559936115.db2.gz CTTZHKIETRGLJN-UHFFFAOYSA-N 0 2 364.379 2.482 20 5 FEBDLN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436717989 559949986 /nfs/dbraw/zinc/94/99/86/559949986.db2.gz VEGWKOYRYLEYEF-MLGOLLRUSA-N 0 2 372.377 2.451 20 5 FEBDLN COC(=O)[C@@](C)(CNC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccccc1 ZINC000436841467 559953830 /nfs/dbraw/zinc/95/38/30/559953830.db2.gz SCKMBQODPOXFFN-SFHVURJKSA-N 0 2 358.350 2.161 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1O ZINC000436850511 559954394 /nfs/dbraw/zinc/95/43/94/559954394.db2.gz HXJFHJSJEBRTBI-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN COC(=O)c1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1OC ZINC000436859447 559954812 /nfs/dbraw/zinc/95/48/12/559954812.db2.gz LBLIBQMIBROPEN-UHFFFAOYSA-N 0 2 360.322 2.026 20 5 FEBDLN Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC000436873167 559955154 /nfs/dbraw/zinc/95/51/54/559955154.db2.gz ZHJUHUSWAGLZLY-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN O=C(N[C@H](Cc1ccccc1)[C@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436999834 559959160 /nfs/dbraw/zinc/95/91/60/559959160.db2.gz RYPKHWBKDCCJGY-HIFRSBDPSA-N 0 2 366.320 2.268 20 5 FEBDLN O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000442920296 560062235 /nfs/dbraw/zinc/06/22/35/560062235.db2.gz GXXYIHFXUKTUFD-HNNXBMFYSA-N 0 2 361.398 2.354 20 5 FEBDLN O=C(c1cc([N+](=O)[O-])ccc1O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452950741 560378977 /nfs/dbraw/zinc/37/89/77/560378977.db2.gz YGWCUHYSQJZUCV-YJBOKZPZSA-N 0 2 360.341 2.241 20 5 FEBDLN O=C(N=c1nc2n([nH]1)CCCC2)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000456025894 560504906 /nfs/dbraw/zinc/50/49/06/560504906.db2.gz ZVTFWOPTEGBHPX-UHFFFAOYSA-N 0 2 356.386 2.719 20 5 FEBDLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)c1 ZINC000463470685 560816288 /nfs/dbraw/zinc/81/62/88/560816288.db2.gz OKHZLMVKNGIMHD-UHFFFAOYSA-N 0 2 369.330 2.025 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000466958544 560900559 /nfs/dbraw/zinc/90/05/59/560900559.db2.gz AUJUNBFBZPBBCD-UHFFFAOYSA-N 0 2 370.774 2.402 20 5 FEBDLN O=[N+]([O-])c1ccc(O)c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000467770343 560916859 /nfs/dbraw/zinc/91/68/59/560916859.db2.gz LYXVXXVBTBBJPE-UHFFFAOYSA-N 0 2 360.351 2.287 20 5 FEBDLN O=C(NC[C@H](c1ccccc1)N1CCOCC1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469521040 560957175 /nfs/dbraw/zinc/95/71/75/560957175.db2.gz UTFPTCBNMFUQNZ-GOSISDBHSA-N 0 2 371.393 2.104 20 5 FEBDLN Cc1cc(C)n(-c2ccc(CNC(=O)c3cc(O)ccc3[N+](=O)[O-])cn2)n1 ZINC000469561586 560958191 /nfs/dbraw/zinc/95/81/91/560958191.db2.gz DIQKVWYHAJLOQD-UHFFFAOYSA-N 0 2 367.365 2.428 20 5 FEBDLN COCn1nc(C)c(S(=O)(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)c1C ZINC000476237901 561114144 /nfs/dbraw/zinc/11/41/44/561114144.db2.gz YBTKJRKTDUEUMZ-UHFFFAOYSA-N 0 2 368.415 2.430 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C)cnc1OC ZINC000476387232 561118134 /nfs/dbraw/zinc/11/81/34/561118134.db2.gz RFACYNAARKTCBN-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN COC(=O)c1csc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 ZINC000532110798 562467275 /nfs/dbraw/zinc/46/72/75/562467275.db2.gz JAIDMMWHFBBUEP-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN O=C([O-])c1ccnc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)c1[N+](=O)[O-] ZINC000569366951 568396645 /nfs/dbraw/zinc/39/66/45/568396645.db2.gz QZOYZAXZWQFJFY-OAHLLOKOSA-N 0 2 372.381 2.173 20 5 FEBDLN O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000833307070 600813308 /nfs/dbraw/zinc/81/33/08/600813308.db2.gz KJUKCAGRYRLEAB-SNVBAGLBSA-N 0 2 361.314 2.239 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738633173 601961618 /nfs/dbraw/zinc/96/16/18/601961618.db2.gz WRWPSSNCCXVWRG-ZJUUUORDSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+]1CC[C@@H](CNC(=O)[O-])C1 ZINC000738633173 601961621 /nfs/dbraw/zinc/96/16/21/601961621.db2.gz WRWPSSNCCXVWRG-ZJUUUORDSA-N 0 2 370.793 2.165 20 5 FEBDLN O=C([O-])N1CCCC[C@@H]1COC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000740716237 603146268 /nfs/dbraw/zinc/14/62/68/603146268.db2.gz GCSCVSDQXOZMBN-CYBMUJFWSA-N 0 2 374.353 2.470 20 5 FEBDLN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832822 605890668 /nfs/dbraw/zinc/89/06/68/605890668.db2.gz URVPDLSUNLDOGH-ZJUUUORDSA-N 0 2 370.793 2.165 20 5 FEBDLN C[C@@H]1C[C@@H](CNC(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000833832822 605890672 /nfs/dbraw/zinc/89/06/72/605890672.db2.gz URVPDLSUNLDOGH-ZJUUUORDSA-N 0 2 370.793 2.165 20 5 FEBDLN CCc1cnc(CNS(=O)(=O)c2cc(Cl)c(F)cc2[N+](=O)[O-])o1 ZINC000815033206 674903745 /nfs/dbraw/zinc/90/37/45/674903745.db2.gz CCBUSHFAZAHLKO-UHFFFAOYSA-N 0 2 363.754 2.416 20 5 FEBDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000121108774 671942361 /nfs/dbraw/zinc/94/23/61/671942361.db2.gz BJPKPNKTJXGNQN-UHFFFAOYSA-N 0 2 367.358 2.250 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)ccc1[N+](=O)[O-] ZINC000584821421 672218894 /nfs/dbraw/zinc/21/88/94/672218894.db2.gz ILLVXNKHIHYEPP-UHFFFAOYSA-N 0 2 365.323 2.251 20 5 FEBDLN CN1CCOc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3F)cc21 ZINC000178196888 672389833 /nfs/dbraw/zinc/38/98/33/672389833.db2.gz RWMRJEUMGZUWPG-UHFFFAOYSA-N 0 2 367.358 2.363 20 5 FEBDLN CCS(=O)(=O)c1cccc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000586819975 672436727 /nfs/dbraw/zinc/43/67/27/672436727.db2.gz CITFSRSGGFKTOD-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN O=C(NC[C@@H]1CCCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1O ZINC000590401340 672578725 /nfs/dbraw/zinc/57/87/25/672578725.db2.gz BPNQLJIMMZZSIX-JTQLQIEISA-N 0 2 361.320 2.305 20 5 FEBDLN CCOC(=O)CC[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000612438366 676082238 /nfs/dbraw/zinc/08/22/38/676082238.db2.gz CGJAMPILNJYRBA-LBPRGKRZSA-N 0 2 350.371 2.496 20 5 FEBDLN COc1cc(C[NH2+][C@@H](C)c2nc(C(=O)[O-])cs2)c([N+](=O)[O-])cc1O ZINC000593948251 673014424 /nfs/dbraw/zinc/01/44/24/673014424.db2.gz GSDFOPXZJHYGJG-ZETCQYMHSA-N 0 2 353.356 2.315 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594485309 673088997 /nfs/dbraw/zinc/08/89/97/673088997.db2.gz ZSOHODIRYQIUJG-OLZOCXBDSA-N 0 2 357.407 2.029 20 5 FEBDLN O=[N+]([O-])c1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594485309 673089002 /nfs/dbraw/zinc/08/90/02/673089002.db2.gz ZSOHODIRYQIUJG-OLZOCXBDSA-N 0 2 357.407 2.029 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ncn(C(C)(C)C)n2)c(C)c1[N+](=O)[O-] ZINC000598733884 673604251 /nfs/dbraw/zinc/60/42/51/673604251.db2.gz FKHFPXYPKYSIAL-UHFFFAOYSA-N 0 2 353.404 2.359 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(OCCO)c(C)c2)c([N+](=O)[O-])c1 ZINC000542984476 673619506 /nfs/dbraw/zinc/61/95/06/673619506.db2.gz ISFCTVPAHZMRSN-UHFFFAOYSA-N 0 2 366.395 2.384 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccnn1C(C)(C)C ZINC000614292184 676168540 /nfs/dbraw/zinc/16/85/40/676168540.db2.gz SBDZDEJZICRQFJ-UHFFFAOYSA-N 0 2 354.388 2.356 20 5 FEBDLN COCCOc1ccccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000545122752 673745889 /nfs/dbraw/zinc/74/58/89/673745889.db2.gz DGOXUWKIESZNGU-UHFFFAOYSA-N 0 2 352.368 2.421 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000600667532 673789440 /nfs/dbraw/zinc/78/94/40/673789440.db2.gz KABCMNQAUHMFNI-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000830827913 677063669 /nfs/dbraw/zinc/06/36/69/677063669.db2.gz OSUCHNMCMCUQKT-ZDUSSCGKSA-N 0 2 363.267 2.017 20 5 FEBDLN Cn1cnc(-c2ccc(Br)cc2)c1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000840465696 680824938 /nfs/dbraw/zinc/82/49/38/680824938.db2.gz YNJGNYXCEQKOQF-GHMZBOCLSA-N 0 2 365.187 2.453 20 5 FEBDLN CCc1ncc(CNS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)o1 ZINC000832493886 680139900 /nfs/dbraw/zinc/13/99/00/680139900.db2.gz AQKWYMNKHQLUBI-UHFFFAOYSA-N 0 2 363.754 2.416 20 5 FEBDLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000778555696 681623199 /nfs/dbraw/zinc/62/31/99/681623199.db2.gz BJYXGDOGGMSQTQ-UHFFFAOYSA-N 0 2 372.330 2.477 20 5 FEBDLN COc1ccc(OC)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2O)c1 ZINC000007054301 539447017 /nfs/dbraw/zinc/44/70/17/539447017.db2.gz OOEMPECFPDUBEH-UHFFFAOYSA-N 0 2 354.340 2.118 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)nc1 ZINC000549607515 674053141 /nfs/dbraw/zinc/05/31/41/674053141.db2.gz SPLIBKPQPWSXJB-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c(=O)n(-c2ccccc2)n1C ZINC000017303574 539640716 /nfs/dbraw/zinc/64/07/16/539640716.db2.gz FFMVLJFRJODELG-UHFFFAOYSA-N 0 2 368.349 2.351 20 5 FEBDLN CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1Cl ZINC000055677453 540669954 /nfs/dbraw/zinc/66/99/54/540669954.db2.gz CCRPPGHEKIXDQA-UHFFFAOYSA-N 0 2 369.786 2.409 20 5 FEBDLN O=C(N=c1ccn(CCc2ccncc2)[nH]1)c1cccc(O)c1[N+](=O)[O-] ZINC000538831748 540897344 /nfs/dbraw/zinc/89/73/44/540897344.db2.gz UGTXHQMIEDHXTC-UHFFFAOYSA-N 0 2 353.338 2.387 20 5 FEBDLN CCCNC(=O)c1cccc(CNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000077232179 542357816 /nfs/dbraw/zinc/35/78/16/542357816.db2.gz BLTVLSIBMRVABJ-UHFFFAOYSA-N 0 2 357.366 2.370 20 5 FEBDLN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc(O)ccc1[N+](=O)[O-] ZINC000552114344 674188474 /nfs/dbraw/zinc/18/84/74/674188474.db2.gz GGLZZCXJHTYSHP-NSHDSACASA-N 0 2 352.412 2.475 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)c([N+](=O)[O-])c1 ZINC000117739465 543638878 /nfs/dbraw/zinc/63/88/78/543638878.db2.gz MCMXZIRXPMRYJJ-UHFFFAOYSA-N 0 2 359.367 2.489 20 5 FEBDLN Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1S(C)(=O)=O ZINC000552399602 674207739 /nfs/dbraw/zinc/20/77/39/674207739.db2.gz QWWDVIHODKAJAY-UHFFFAOYSA-N 0 2 350.352 2.265 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn([C@H](C)COC)n1 ZINC000187975296 328057721 /nfs/dbraw/zinc/05/77/21/328057721.db2.gz PRJXYOBPNMKJBK-LLVKDONJSA-N 0 2 368.415 2.362 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000195329837 328472232 /nfs/dbraw/zinc/47/22/32/328472232.db2.gz RXBFKDIUHLIWRB-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN COCCS(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)c(C)s1 ZINC000110123069 325684042 /nfs/dbraw/zinc/68/40/42/325684042.db2.gz CCMLTFSZOWVANW-UHFFFAOYSA-N 0 2 357.413 2.415 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(C(N)=O)c(F)c2)cc1[N+](=O)[O-] ZINC000119106316 326127413 /nfs/dbraw/zinc/12/74/13/326127413.db2.gz HAIQADLITQOSFH-UHFFFAOYSA-N 0 2 359.360 2.004 20 5 FEBDLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000125224005 326467657 /nfs/dbraw/zinc/46/76/57/326467657.db2.gz TWNMIEFZGQODKP-UHFFFAOYSA-N 0 2 369.786 2.456 20 5 FEBDLN CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000272405022 329778217 /nfs/dbraw/zinc/77/82/17/329778217.db2.gz NPBYSQGRPKSQHI-NSHDSACASA-N 0 2 365.386 2.287 20 5 FEBDLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185958971 518185831 /nfs/dbraw/zinc/18/58/31/518185831.db2.gz JAUNNFBYQFTHAK-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1C ZINC000158615482 545876628 /nfs/dbraw/zinc/87/66/28/545876628.db2.gz DTILWQQBSDZOPC-UHFFFAOYSA-N 0 2 363.395 2.372 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000174770848 546303238 /nfs/dbraw/zinc/30/32/38/546303238.db2.gz QOZPAUHMVOUCAP-UHFFFAOYSA-N 0 2 352.372 2.011 20 5 FEBDLN Cn1c(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)nc2cc(F)ccc21 ZINC000179486798 546963513 /nfs/dbraw/zinc/96/35/13/546963513.db2.gz WMPKGAYRNUSONN-UHFFFAOYSA-N 0 2 358.329 2.299 20 5 FEBDLN CCc1nn(C)c(NCc2nnc(COc3ccccc3)[nH]2)c1[N+](=O)[O-] ZINC000184776140 547878101 /nfs/dbraw/zinc/87/81/01/547878101.db2.gz NPCXUKILMYVYOQ-UHFFFAOYSA-N 0 2 357.374 2.200 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c1 ZINC000194622199 548507069 /nfs/dbraw/zinc/50/70/69/548507069.db2.gz RDHNSMGRIMBIFW-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccn(Cc2ccncc2)n1 ZINC000195329584 548625808 /nfs/dbraw/zinc/62/58/08/548625808.db2.gz DMIVYSJRYBQNOL-UHFFFAOYSA-N 0 2 373.394 2.344 20 5 FEBDLN CC(=O)Nc1cccnc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000488452280 561390052 /nfs/dbraw/zinc/39/00/52/561390052.db2.gz UYLMTJJYPJKZMY-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN O=C(NC[C@H](CO)c1ccccc1Cl)c1cccc(O)c1[N+](=O)[O-] ZINC000489722679 561417899 /nfs/dbraw/zinc/41/78/99/561417899.db2.gz RGJROVUKBJLWAV-SNVBAGLBSA-N 0 2 350.758 2.460 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)ccc1[N+](=O)[O-] ZINC000268493290 550076323 /nfs/dbraw/zinc/07/63/23/550076323.db2.gz PELJFRBDYLVKFQ-UHFFFAOYSA-N 0 2 366.399 2.321 20 5 FEBDLN COCCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C)n2)cc1 ZINC000494401553 561468759 /nfs/dbraw/zinc/46/87/59/561468759.db2.gz DQOVHFUFTPKQSY-UHFFFAOYSA-N 0 2 367.383 2.124 20 5 FEBDLN O=C(N[C@H]1CCCN(C2CCCCC2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000277055328 550626768 /nfs/dbraw/zinc/62/67/68/550626768.db2.gz HKJVTSGTSPCBGA-AWEZNQCLSA-N 0 2 361.398 2.354 20 5 FEBDLN Cn1nc([C@H]2CCCOC2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000280106617 550961574 /nfs/dbraw/zinc/96/15/74/550961574.db2.gz OPRZKOZUZAOTOP-NSHDSACASA-N 0 2 366.399 2.023 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)cc1 ZINC000280400895 550989529 /nfs/dbraw/zinc/98/95/29/550989529.db2.gz XRHBUCFECHCIAI-SNVBAGLBSA-N 0 2 352.372 2.013 20 5 FEBDLN CC(C)(C)NC(=O)N1CCC(NC(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000281264745 551079208 /nfs/dbraw/zinc/07/92/08/551079208.db2.gz PGJHRVDTPNLMBD-UHFFFAOYSA-N 0 2 364.402 2.003 20 5 FEBDLN COc1cc(CNc2ccc(N3CC[NH+]=C3[O-])cc2)c([N+](=O)[O-])cc1O ZINC000497593272 561504404 /nfs/dbraw/zinc/50/44/04/561504404.db2.gz ZINHRTIKUDKFSA-UHFFFAOYSA-N 0 2 358.354 2.451 20 5 FEBDLN Cc1nn(C)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000288145874 552099474 /nfs/dbraw/zinc/09/94/74/552099474.db2.gz BRLJXEBRRIVSCM-UHFFFAOYSA-N 0 2 362.314 2.039 20 5 FEBDLN CC(C)OCc1nc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)no1 ZINC000291364187 552618839 /nfs/dbraw/zinc/61/88/39/552618839.db2.gz VPMQFLUQIFIUSZ-VIFPVBQESA-N 0 2 350.331 2.099 20 5 FEBDLN COC(=O)C(C)(C)c1csc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)n1 ZINC000293868555 552863624 /nfs/dbraw/zinc/86/36/24/552863624.db2.gz WPQRLOFRCBYOST-UHFFFAOYSA-N 0 2 365.367 2.460 20 5 FEBDLN COC(=O)[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(C)cc1 ZINC000502992532 561631858 /nfs/dbraw/zinc/63/18/58/561631858.db2.gz SSTPBEHXIFITAS-CQSZACIVSA-N 0 2 358.350 2.295 20 5 FEBDLN CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc([N+](=O)[O-])c(O)c2)no1 ZINC000507632759 561735956 /nfs/dbraw/zinc/73/59/56/561735956.db2.gz RNCCKWDBUCLFAW-GFCCVEGCSA-N 0 2 362.342 2.021 20 5 FEBDLN COC(=O)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000508072696 561750423 /nfs/dbraw/zinc/75/04/23/561750423.db2.gz GZEUDVSBTWGWGK-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000330610381 554145048 /nfs/dbraw/zinc/14/50/48/554145048.db2.gz UGKZWNREMHNGLU-NSHDSACASA-N 0 2 350.371 2.494 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1[N+](=O)[O-] ZINC000509214674 561790481 /nfs/dbraw/zinc/79/04/81/561790481.db2.gz ZSHZUYCPTLXDCM-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCN(C(=O)C2CCCCC2)CC1 ZINC000332152632 554391464 /nfs/dbraw/zinc/39/14/64/554391464.db2.gz WDVSZFBOQFPJSV-UHFFFAOYSA-N 0 2 361.398 2.165 20 5 FEBDLN COc1cccc(N2CC[C@H](NC(=O)c3cc(O)ccc3[N+](=O)[O-])C2)c1 ZINC000510857216 561848535 /nfs/dbraw/zinc/84/85/35/561848535.db2.gz MDVKCZQYEUIDIG-LBPRGKRZSA-N 0 2 357.366 2.318 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1CNC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000511657335 561876712 /nfs/dbraw/zinc/87/67/12/561876712.db2.gz FUENRHVFSGHAFT-UHFFFAOYSA-N 0 2 368.349 2.491 20 5 FEBDLN O=C(Nc1ccccn1)[C@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000365005999 555462714 /nfs/dbraw/zinc/46/27/14/555462714.db2.gz DRJCMPAOQKULPT-LBPRGKRZSA-N 0 2 370.365 2.186 20 5 FEBDLN Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)cccc1N1CN=NC1=O ZINC000365732007 555653933 /nfs/dbraw/zinc/65/39/33/555653933.db2.gz PXHIOJPYGBPIPH-UHFFFAOYSA-N 0 2 355.310 2.147 20 5 FEBDLN O=C1CCOc2c(NS(=O)(=O)c3ccc([N+](=O)[O-])c(F)c3)cccc21 ZINC000371598777 557234647 /nfs/dbraw/zinc/23/46/47/557234647.db2.gz UIJIKAMOHHQQSO-UHFFFAOYSA-N 0 2 366.326 2.500 20 5 FEBDLN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccn(-c3ncccc3F)n2)c1 ZINC000374242050 557849262 /nfs/dbraw/zinc/84/92/62/557849262.db2.gz SFUOCWISVOTASJ-UHFFFAOYSA-N 0 2 363.330 2.115 20 5 FEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1cn(-c2ccccc2)nn1 ZINC000376103167 558127594 /nfs/dbraw/zinc/12/75/94/558127594.db2.gz LUGKOLZPHVYWFV-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN Cn1nc(-c2ccccc2)nc1CCNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000376106609 558128007 /nfs/dbraw/zinc/12/80/07/558128007.db2.gz KLZYVNNHJDYKGB-UHFFFAOYSA-N 0 2 367.365 2.068 20 5 FEBDLN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)c1ccc([N+](=O)[O-])cc1O ZINC000376263936 558149464 /nfs/dbraw/zinc/14/94/64/558149464.db2.gz FBFBVIYUDGSPOK-RISCZKNCSA-N 0 2 374.353 2.211 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)cc1[N+](=O)[O-] ZINC000378016687 558463913 /nfs/dbraw/zinc/46/39/13/558463913.db2.gz IZNAJLNNNPGZAO-UHFFFAOYSA-N 0 2 363.351 2.035 20 5 FEBDLN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000378568982 558585346 /nfs/dbraw/zinc/58/53/46/558585346.db2.gz FZAIMDKMOKCZRI-LBPRGKRZSA-N 0 2 373.369 2.002 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(N3CCC3=O)cc2)c([N+](=O)[O-])c1 ZINC000410419729 558756433 /nfs/dbraw/zinc/75/64/33/558756433.db2.gz QFLVYENRZYKWOH-UHFFFAOYSA-N 0 2 361.379 2.441 20 5 FEBDLN CC(C)(CCNc1cc(C[NH+]2CCOCC2)ccc1[N+](=O)[O-])C(=O)[O-] ZINC000424369369 559662200 /nfs/dbraw/zinc/66/22/00/559662200.db2.gz BNWDWEHAKLWFMK-UHFFFAOYSA-N 0 2 351.403 2.340 20 5 FEBDLN CCn1cc([N+](=O)[O-])c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)n1 ZINC000427596873 559758391 /nfs/dbraw/zinc/75/83/91/559758391.db2.gz OJVVGLMHUUEWPS-UHFFFAOYSA-N 0 2 350.385 2.065 20 5 FEBDLN COC(=O)c1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2O)nc1C1CC1 ZINC000436626332 559947001 /nfs/dbraw/zinc/94/70/01/559947001.db2.gz HFFMKDICBJOAIJ-UHFFFAOYSA-N 0 2 371.349 2.289 20 5 FEBDLN COc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436635972 559947390 /nfs/dbraw/zinc/94/73/90/559947390.db2.gz NYABRWVPYPMILH-UHFFFAOYSA-N 0 2 359.338 2.263 20 5 FEBDLN COc1ccc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[nH][nH]2)c(O)c1 ZINC000436676726 559948539 /nfs/dbraw/zinc/94/85/39/559948539.db2.gz SJGKKFVBDKEMMN-UHFFFAOYSA-N 0 2 354.322 2.951 20 5 FEBDLN C[C@H]1[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)CC(=O)N1Cc1ccccc1 ZINC000436784332 559951953 /nfs/dbraw/zinc/95/19/53/559951953.db2.gz WVJNPSQXWAUNJP-BLLLJJGKSA-N 0 2 369.377 2.220 20 5 FEBDLN CCS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436895166 559955578 /nfs/dbraw/zinc/95/55/78/559955578.db2.gz UAOHORPHAYFLQW-UHFFFAOYSA-N 0 2 364.379 2.024 20 5 FEBDLN COC(=O)COc1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000436923061 559956654 /nfs/dbraw/zinc/95/66/54/559956654.db2.gz ALNQUVGMVIJWAZ-UHFFFAOYSA-N 0 2 374.349 2.124 20 5 FEBDLN COC(=O)COc1ccc(CN(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436928263 559956668 /nfs/dbraw/zinc/95/66/68/559956668.db2.gz VLUBGIXLWAMQPR-UHFFFAOYSA-N 0 2 374.349 2.124 20 5 FEBDLN COC(=O)COc1ccc([C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436938119 559957048 /nfs/dbraw/zinc/95/70/48/559957048.db2.gz KFSGVMSUPIVJFT-NSHDSACASA-N 0 2 374.349 2.343 20 5 FEBDLN COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(F)c(C)c1 ZINC000436939844 559957139 /nfs/dbraw/zinc/95/71/39/559957139.db2.gz RPWGCGKASAVMSX-HNNXBMFYSA-N 0 2 362.313 2.392 20 5 FEBDLN COC(=O)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1O)Cc1cccc(C)c1 ZINC000436988831 559958785 /nfs/dbraw/zinc/95/87/85/559958785.db2.gz NAEMBUKQAODJJD-CQSZACIVSA-N 0 2 372.377 2.371 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000437177161 559961553 /nfs/dbraw/zinc/96/15/53/559961553.db2.gz QXTWMISDSAHSIJ-UHFFFAOYSA-N 0 2 358.401 2.379 20 5 FEBDLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000442348134 560049543 /nfs/dbraw/zinc/04/95/43/560049543.db2.gz VPFNWFUYUUKQIY-UHFFFAOYSA-N 0 2 366.351 2.278 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)c([N+](=O)[O-])n1 ZINC000443420208 560083600 /nfs/dbraw/zinc/08/36/00/560083600.db2.gz UFRYAMXYDZPUSP-MRVPVSSYSA-N 0 2 371.444 2.193 20 5 FEBDLN O=C(Cc1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1)NCCc1ccccc1 ZINC000445320301 560132078 /nfs/dbraw/zinc/13/20/78/560132078.db2.gz NAQFVFDVUIPINK-UHFFFAOYSA-N 0 2 368.349 2.252 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000452483077 560365952 /nfs/dbraw/zinc/36/59/52/560365952.db2.gz NQNCRXPPRGFGDU-QAPCUYQASA-N 0 2 360.341 2.241 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2cccc(O)c2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000456975340 560541657 /nfs/dbraw/zinc/54/16/57/560541657.db2.gz HMHFOMJZBGRKMV-CABCVRRESA-N 0 2 370.361 2.329 20 5 FEBDLN CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc([N+](=O)[O-])c(O)c2)s1 ZINC000457119101 560550753 /nfs/dbraw/zinc/55/07/53/560550753.db2.gz WHMALDLMSREMQH-UHFFFAOYSA-N 0 2 365.367 2.139 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2cc(C)cnc2OC)ccc1[N+](=O)[O-] ZINC000469061631 560946224 /nfs/dbraw/zinc/94/62/24/560946224.db2.gz VJXJCJNCWRHICB-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccccc2S(C)(=O)=O)ccc1[N+](=O)[O-] ZINC000476235274 561114164 /nfs/dbraw/zinc/11/41/64/561114164.db2.gz RMTYMRZHDWYERX-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(F)c(F)c1)OCCO2 ZINC000476730134 561127220 /nfs/dbraw/zinc/12/72/20/561127220.db2.gz DNVSTDVLHLORPH-UHFFFAOYSA-N 0 2 372.305 2.445 20 5 FEBDLN O=[N+]([O-])c1cc2c(cc1S(=O)(=O)Nc1ccc(F)cc1)OCCO2 ZINC000476807184 561128919 /nfs/dbraw/zinc/12/89/19/561128919.db2.gz ORKRATOXWLNTTE-UHFFFAOYSA-N 0 2 354.315 2.306 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(Cn2cncn2)c1 ZINC000530905667 562428014 /nfs/dbraw/zinc/42/80/14/562428014.db2.gz JEVBPIUQNNIHHL-UHFFFAOYSA-N 0 2 359.367 2.035 20 5 FEBDLN COc1ccc([N+](=O)[O-])c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000533727750 562516915 /nfs/dbraw/zinc/51/69/15/562516915.db2.gz FBQPLFRRTUZNTM-UHFFFAOYSA-N 0 2 357.351 2.191 20 5 FEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ncc(Br)cn1 ZINC000557404051 674448036 /nfs/dbraw/zinc/44/80/36/674448036.db2.gz XQDAAAMJVBSBHR-ZETCQYMHSA-N 0 2 367.159 2.344 20 5 FEBDLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000740124338 600718441 /nfs/dbraw/zinc/71/84/41/600718441.db2.gz QNPMTSXJISOQJD-UHFFFAOYSA-N 0 2 369.377 2.251 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000739585784 601967877 /nfs/dbraw/zinc/96/78/77/601967877.db2.gz DXHKZVFBDVLBPO-ZDUSSCGKSA-N 0 2 361.358 2.219 20 5 FEBDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000739585784 601967880 /nfs/dbraw/zinc/96/78/80/601967880.db2.gz DXHKZVFBDVLBPO-ZDUSSCGKSA-N 0 2 361.358 2.219 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000833954361 605816652 /nfs/dbraw/zinc/81/66/52/605816652.db2.gz HURMGNGQUCNJIS-DZGCQCFKSA-N 0 2 359.386 2.150 20 5 FEBDLN Cn1ccnc1[C@H]([NH2+]CCN(C(=O)[O-])C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000833956253 605817191 /nfs/dbraw/zinc/81/71/91/605817191.db2.gz YNYFJFHAWOOJHX-OAHLLOKOSA-N 0 2 359.386 2.150 20 5 FEBDLN C[C@@H]1CCC[N@H+]1CCNS(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000815034887 674904521 /nfs/dbraw/zinc/90/45/21/674904521.db2.gz FUHIZHCXIJDDFH-SECBINFHSA-N 0 2 365.814 2.150 20 5 FEBDLN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221909 675195207 /nfs/dbraw/zinc/19/52/07/675195207.db2.gz QXMRIBGXZGZGGS-ZJUUUORDSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000566221909 675195210 /nfs/dbraw/zinc/19/52/10/675195210.db2.gz QXMRIBGXZGZGGS-ZJUUUORDSA-N 0 2 355.778 2.372 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(C2CC2)nc1 ZINC000609128423 675911005 /nfs/dbraw/zinc/91/10/05/675911005.db2.gz CRQBSQQKUYUMSK-UHFFFAOYSA-N 0 2 350.356 2.072 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cs1 ZINC000120151062 671918201 /nfs/dbraw/zinc/91/82/01/671918201.db2.gz VGNKVTMOCLKDAO-UHFFFAOYSA-N 0 2 351.369 2.038 20 5 FEBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539922928 673513291 /nfs/dbraw/zinc/51/32/91/673513291.db2.gz BOBDGGIMTXDMQE-UHFFFAOYSA-N 0 2 365.777 2.021 20 5 FEBDLN CCCCC(=O)N1CSC[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970431 673516715 /nfs/dbraw/zinc/51/67/15/673516715.db2.gz BIASSKGNBFBMKG-GFCCVEGCSA-N 0 2 353.400 2.331 20 5 FEBDLN CCn1cc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2O)cn1 ZINC000618919867 676356795 /nfs/dbraw/zinc/35/67/95/676356795.db2.gz XTYDNOOBWDNPGR-AWEZNQCLSA-N 0 2 362.411 2.447 20 5 FEBDLN CCCc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n(C)n1 ZINC000619507350 676382693 /nfs/dbraw/zinc/38/26/93/676382693.db2.gz IHDKIRZVKUKNSO-UHFFFAOYSA-N 0 2 354.388 2.090 20 5 FEBDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000830820699 677063071 /nfs/dbraw/zinc/06/30/71/677063071.db2.gz GSZDAJIPQKDCJH-ZDUSSCGKSA-N 0 2 363.267 2.017 20 5 FEBDLN O=C(c1cccc(Cl)c1O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000837211983 680569072 /nfs/dbraw/zinc/56/90/72/680569072.db2.gz HMCIGHHNRVOVFF-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN CC(C)(C)OC(=O)c1c(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])sc2c1CCOC2 ZINC000841343791 680874118 /nfs/dbraw/zinc/87/41/18/680874118.db2.gz ALVPCYKRCYMEDT-NXEZZACHSA-N 0 2 368.411 2.380 20 5 FEBDLN CCN(C(=O)c1ccc([N+](=O)[O-])cc1O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912489490 685384001 /nfs/dbraw/zinc/38/40/01/685384001.db2.gz PMCXWMNGCMFMKI-LLVKDONJSA-N 0 2 361.320 2.399 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2N2CCCC2)cs1 ZINC000768859644 680962090 /nfs/dbraw/zinc/96/20/90/680962090.db2.gz ZMEIGJKXKNIUEZ-UHFFFAOYSA-N 0 2 354.413 2.452 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1 ZINC000782258279 682021570 /nfs/dbraw/zinc/02/15/70/682021570.db2.gz GYNRQFUGJIWREF-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000788217058 682512058 /nfs/dbraw/zinc/51/20/58/682512058.db2.gz SLFOQEWGIZYQBN-MRVPVSSYSA-N 0 2 358.401 2.263 20 5 FEBDLN CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000862707876 683624331 /nfs/dbraw/zinc/62/43/31/683624331.db2.gz PBQAHECOKPRKCO-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC ZINC000007708563 539464490 /nfs/dbraw/zinc/46/44/90/539464490.db2.gz DHNVKIZHTIFKHV-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN COCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000032631038 539945882 /nfs/dbraw/zinc/94/58/82/539945882.db2.gz RWGZPEIBGYTNME-UHFFFAOYSA-N 0 2 352.368 2.421 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000042714790 540074449 /nfs/dbraw/zinc/07/44/49/540074449.db2.gz UYHRVKUNNLXJCK-CQSZACIVSA-N 0 2 366.399 2.080 20 5 FEBDLN COCCOc1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055640420 540667391 /nfs/dbraw/zinc/66/73/91/540667391.db2.gz XALLTMRKRYKGFQ-UHFFFAOYSA-N 0 2 352.368 2.421 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000068074766 541544555 /nfs/dbraw/zinc/54/45/55/541544555.db2.gz IQNRTTDBOIDAOQ-UHFFFAOYSA-N 0 2 350.352 2.434 20 5 FEBDLN CCCc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n(C)n1 ZINC000092877244 542892714 /nfs/dbraw/zinc/89/27/14/542892714.db2.gz XLGBKMVIRWWGON-UHFFFAOYSA-N 0 2 354.388 2.090 20 5 FEBDLN C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)c1ccc(-n2ccnn2)cc1 ZINC000152577319 544669364 /nfs/dbraw/zinc/66/93/64/544669364.db2.gz BAACWOIFWZEIQD-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccccc3[N+](=O)[O-])=N2)cc1 ZINC000180669033 327696526 /nfs/dbraw/zinc/69/65/26/327696526.db2.gz HLOQJPRBJFGDOP-UHFFFAOYSA-N 0 2 368.349 2.425 20 5 FEBDLN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1cn(-c2ccccc2)nn1 ZINC000182112288 327761258 /nfs/dbraw/zinc/76/12/58/327761258.db2.gz BBPSLHKXGJUCPM-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1ccc(-n2cncn2)cc1 ZINC000184601358 327874921 /nfs/dbraw/zinc/87/49/21/327874921.db2.gz VZMBYKJRCMNSOJ-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186490493 327964471 /nfs/dbraw/zinc/96/44/71/327964471.db2.gz IREIUWNSPUDBJA-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 ZINC000191799392 328282567 /nfs/dbraw/zinc/28/25/67/328282567.db2.gz YIONWRAGTTVIOG-GFCCVEGCSA-N 0 2 368.415 2.416 20 5 FEBDLN Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3O)C2=O)cc1 ZINC000192289823 328311278 /nfs/dbraw/zinc/31/12/78/328311278.db2.gz RUSMJXFBTZGOQR-MRXNPFEDSA-N 0 2 369.377 2.140 20 5 FEBDLN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000018099574 324390576 /nfs/dbraw/zinc/39/05/76/324390576.db2.gz NEXJKQGDUJZMCG-UHFFFAOYSA-N 0 2 368.349 2.199 20 5 FEBDLN O=[N+]([O-])c1c(F)cccc1S(=O)(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000117739654 326069070 /nfs/dbraw/zinc/06/90/70/326069070.db2.gz MNEYPWJYBAILLZ-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN COCCn1nc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1C ZINC000119310203 326148286 /nfs/dbraw/zinc/14/82/86/326148286.db2.gz SOMYTYRQQMSGPA-UHFFFAOYSA-N 0 2 374.444 2.225 20 5 FEBDLN Cc1nncn1-c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000131482900 326575366 /nfs/dbraw/zinc/57/53/66/326575366.db2.gz MUTNNCSTJAAXTR-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCC[C@H](c2nnc3ccccn32)C1 ZINC000159438533 326931578 /nfs/dbraw/zinc/93/15/78/326931578.db2.gz TZMMQQOWNNJXEP-LBPRGKRZSA-N 0 2 367.365 2.363 20 5 FEBDLN CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000262909855 328899635 /nfs/dbraw/zinc/89/96/35/328899635.db2.gz IPZMTYWXVWNFFB-GOSISDBHSA-N 0 2 372.381 2.353 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000267552415 329337673 /nfs/dbraw/zinc/33/76/73/329337673.db2.gz YHEDDZCYDXQTQW-HNNXBMFYSA-N 0 2 364.398 2.491 20 5 FEBDLN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000273159845 329841815 /nfs/dbraw/zinc/84/18/15/329841815.db2.gz BEODIUMKRSWMGN-SNVBAGLBSA-N 0 2 351.359 2.040 20 5 FEBDLN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557866 674366486 /nfs/dbraw/zinc/36/64/86/674366486.db2.gz GEYINTBAVCTSEA-JTQLQIEISA-N 0 2 365.777 2.021 20 5 FEBDLN O=C(c1ccccc1)N1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000157516584 545750327 /nfs/dbraw/zinc/75/03/27/545750327.db2.gz LRMCAPLYWCOTOY-UHFFFAOYSA-N 0 2 369.377 2.289 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(-c2ccccn2)n1 ZINC000171147681 546193436 /nfs/dbraw/zinc/19/34/36/546193436.db2.gz LISIEWZVBXVYJD-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)[nH]n1 ZINC000481857545 561244161 /nfs/dbraw/zinc/24/41/61/561244161.db2.gz RRDDYZXCDRZQPN-GFCCVEGCSA-N 0 2 352.372 2.279 20 5 FEBDLN Cc1cccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2NCCO)c1F ZINC000180476222 547115118 /nfs/dbraw/zinc/11/51/18/547115118.db2.gz HHBBBVVDARHQMM-UHFFFAOYSA-N 0 2 369.374 2.247 20 5 FEBDLN C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(-n2ccnn2)cc1 ZINC000182160130 547446311 /nfs/dbraw/zinc/44/63/11/547446311.db2.gz OGDQZVSBZLCODF-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1 ZINC000184505931 547838893 /nfs/dbraw/zinc/83/88/93/547838893.db2.gz VKVDJJWMUJWYEX-GFCCVEGCSA-N 0 2 363.414 2.313 20 5 FEBDLN CC[C@H](C)c1nnc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000276919525 550611049 /nfs/dbraw/zinc/61/10/49/550611049.db2.gz LAQYCUJXIFYFTH-DTWKUNHWSA-N 0 2 371.394 2.405 20 5 FEBDLN CC[C@H](C)c1nc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000276919525 550611050 /nfs/dbraw/zinc/61/10/50/550611050.db2.gz LAQYCUJXIFYFTH-DTWKUNHWSA-N 0 2 371.394 2.405 20 5 FEBDLN O=C(Nc1nnc(C2CCOCC2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000294153178 552885969 /nfs/dbraw/zinc/88/59/69/552885969.db2.gz LWXNMJYZFRHOOA-UHFFFAOYSA-N 0 2 350.356 2.298 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cnn1C1CCOCC1 ZINC000296720465 553202653 /nfs/dbraw/zinc/20/26/53/553202653.db2.gz MZDFQTPWEUCYHF-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN C[C@@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000505230458 561668327 /nfs/dbraw/zinc/66/83/27/561668327.db2.gz NEGMEODWYCGFPN-LLVKDONJSA-N 0 2 353.338 2.372 20 5 FEBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000506115881 561690950 /nfs/dbraw/zinc/69/09/50/561690950.db2.gz LPOZSIKHPPMKIF-UHFFFAOYSA-N 0 2 355.310 2.213 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000509662010 561809753 /nfs/dbraw/zinc/80/97/53/561809753.db2.gz XMFMKGUAJKQEKP-UHFFFAOYSA-N 0 2 363.395 2.406 20 5 FEBDLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000509905726 561817951 /nfs/dbraw/zinc/81/79/51/561817951.db2.gz WVSYTNIUINMLSM-CYBMUJFWSA-N 0 2 356.382 2.214 20 5 FEBDLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000509905727 561818065 /nfs/dbraw/zinc/81/80/65/561818065.db2.gz WVSYTNIUINMLSM-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN Cc1nc(N2CCN(C(=O)c3cc(O)ccc3[N+](=O)[O-])CC2)sc1C ZINC000332465362 554451037 /nfs/dbraw/zinc/45/10/37/554451037.db2.gz QMVJUQWNJIVJKY-UHFFFAOYSA-N 0 2 362.411 2.336 20 5 FEBDLN CS(=O)(=O)C1(c2noc(-c3ccc([N+](=O)[O-])c(O)c3)n2)CCCC1 ZINC000351182094 554841038 /nfs/dbraw/zinc/84/10/38/554841038.db2.gz BBLGHPCPWUEODC-UHFFFAOYSA-N 0 2 353.356 2.164 20 5 FEBDLN Cc1c(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cccc1N1CN=NC1=O ZINC000368252539 556259502 /nfs/dbraw/zinc/25/95/02/556259502.db2.gz MPVQATSYZJDHQO-UHFFFAOYSA-N 0 2 355.310 2.147 20 5 FEBDLN COC(=O)[C@]1(c2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000517046852 562073278 /nfs/dbraw/zinc/07/32/78/562073278.db2.gz IRAOXIDUHDWLFX-LJQANCHMSA-N 0 2 370.361 2.257 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1-c1ccccn1 ZINC000372011832 557355866 /nfs/dbraw/zinc/35/58/66/557355866.db2.gz VKJFOTTVAMSNTM-UHFFFAOYSA-N 0 2 373.394 2.500 20 5 FEBDLN C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373740019 557748525 /nfs/dbraw/zinc/74/85/25/557748525.db2.gz BKOGSMSMIPEQJU-PSTGCABASA-N 0 2 350.371 2.099 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000375299998 558005873 /nfs/dbraw/zinc/00/58/73/558005873.db2.gz SEMJDKYMGBYYRB-GOSISDBHSA-N 0 2 353.334 2.036 20 5 FEBDLN Cc1cn(-c2ncccc2F)nc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000376911571 558238168 /nfs/dbraw/zinc/23/81/68/558238168.db2.gz QRDPFNWVDBZLNP-UHFFFAOYSA-N 0 2 357.301 2.581 20 5 FEBDLN COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(F)c1 ZINC000392499418 558617662 /nfs/dbraw/zinc/61/76/62/558617662.db2.gz MZGGFBNMYMELPU-UHFFFAOYSA-N 0 2 354.315 2.321 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nc(CN(C)C)cs2)c([N+](=O)[O-])c1 ZINC000414463440 559165872 /nfs/dbraw/zinc/16/58/72/559165872.db2.gz VPJZFEYVYUJVRQ-UHFFFAOYSA-N 0 2 356.429 2.222 20 5 FEBDLN CC(C)n1cc(C(C)(C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])nn1 ZINC000420763331 559503097 /nfs/dbraw/zinc/50/30/97/559503097.db2.gz NRTXMQRLDQEXQX-UHFFFAOYSA-N 0 2 371.394 2.120 20 5 FEBDLN CC(C)(NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccc([N+](=O)[O-])cc1 ZINC000431422505 559838959 /nfs/dbraw/zinc/83/89/59/559838959.db2.gz OFUCNPPIAXKBEG-UHFFFAOYSA-N 0 2 369.337 2.009 20 5 FEBDLN COc1cc(C(=O)Nc2nc(-c3ccncc3)n[nH]2)cc([N+](=O)[O-])c1OC ZINC000433082908 559871387 /nfs/dbraw/zinc/87/13/87/559871387.db2.gz LXJZAOUNMWYKGE-UHFFFAOYSA-N 0 2 370.325 2.044 20 5 FEBDLN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n(C2CCOCC2)n1 ZINC000433371097 559878860 /nfs/dbraw/zinc/87/88/60/559878860.db2.gz CDUIRVIABADQMK-UHFFFAOYSA-N 0 2 366.399 2.252 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F ZINC000436172808 559936690 /nfs/dbraw/zinc/93/66/90/559936690.db2.gz RAFFRYWUNGDOFQ-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1O ZINC000436850261 559954160 /nfs/dbraw/zinc/95/41/60/559954160.db2.gz GHLUUMHOCUDVES-UHFFFAOYSA-N 0 2 366.351 2.196 20 5 FEBDLN C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)C(=O)N1c1ccccc1 ZINC000436874313 559955125 /nfs/dbraw/zinc/95/51/25/559955125.db2.gz SSAMWMOJKJQPFY-XHDPSFHLSA-N 0 2 355.350 2.224 20 5 FEBDLN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1F ZINC000436887757 559955452 /nfs/dbraw/zinc/95/54/52/559955452.db2.gz PKMIGAHULUABPN-UHFFFAOYSA-N 0 2 368.342 2.236 20 5 FEBDLN CCOC(=O)[C@@H](CCOC(C)(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436894309 559955468 /nfs/dbraw/zinc/95/54/68/559955468.db2.gz QMVIGSLEUGWNDK-CYBMUJFWSA-N 0 2 368.386 2.167 20 5 FEBDLN CCOc1ccc(NC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000436888095 559955500 /nfs/dbraw/zinc/95/55/00/559955500.db2.gz ZWVRKPYZWNBDPH-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1O ZINC000436952613 559957393 /nfs/dbraw/zinc/95/73/93/559957393.db2.gz XHCODGJGJBJYIM-UHFFFAOYSA-N 0 2 371.349 2.025 20 5 FEBDLN O=C(NCCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1O ZINC000436966104 559957611 /nfs/dbraw/zinc/95/76/11/559957611.db2.gz LYIFXKGLVJGROS-UHFFFAOYSA-N 0 2 358.350 2.434 20 5 FEBDLN COCCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc([N+](=O)[O-])cc1O ZINC000436971619 559957905 /nfs/dbraw/zinc/95/79/05/559957905.db2.gz KKLAFSVIDWPCMB-UHFFFAOYSA-N 0 2 374.349 2.318 20 5 FEBDLN CCOC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccc(O)c1 ZINC000436994048 559959052 /nfs/dbraw/zinc/95/90/52/559959052.db2.gz ABWKCWPATUAOTM-OAHLLOKOSA-N 0 2 360.322 2.040 20 5 FEBDLN O=[N+]([O-])c1ccc(NS(=O)(=O)c2cnc3n2CCC3)c2cccnc21 ZINC000438242793 559976111 /nfs/dbraw/zinc/97/61/11/559976111.db2.gz DZQFLBHBJTZLCH-UHFFFAOYSA-N 0 2 359.367 2.087 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc1C(=O)OC ZINC000441351437 560029199 /nfs/dbraw/zinc/02/91/99/560029199.db2.gz CIIAXBNOBGMLKO-UHFFFAOYSA-N 0 2 371.396 2.201 20 5 FEBDLN CCCCc1nnc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000446770945 560151421 /nfs/dbraw/zinc/15/14/21/560151421.db2.gz XMNXAOUDNGLIAJ-UHFFFAOYSA-N 0 2 356.360 2.130 20 5 FEBDLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000446969265 560154388 /nfs/dbraw/zinc/15/43/88/560154388.db2.gz IPJAYJYSSCMWNF-UHFFFAOYSA-N 0 2 366.380 2.431 20 5 FEBDLN CC(C)Oc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc1C(N)=O ZINC000447675824 560166600 /nfs/dbraw/zinc/16/66/00/560166600.db2.gz AENGDHRHMGHNLN-UHFFFAOYSA-N 0 2 359.338 2.439 20 5 FEBDLN CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000449507230 560232323 /nfs/dbraw/zinc/23/23/23/560232323.db2.gz STKNDOSUKRCZKN-SFHVURJKSA-N 0 2 374.485 2.361 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452979773 560379779 /nfs/dbraw/zinc/37/97/79/560379779.db2.gz SBABAWCTCROHDM-KBXCAEBGSA-N 0 2 360.341 2.241 20 5 FEBDLN CC(C)(C)O[C@@H]1C[C@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])[C@H]1n1cccn1 ZINC000456628583 560526403 /nfs/dbraw/zinc/52/64/03/560526403.db2.gz DHUDMQYZSRHTLL-NUEKZKHPSA-N 0 2 374.397 2.424 20 5 FEBDLN CC1(C)Oc2ccsc2[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2O)[C@@H]1O ZINC000458044393 560600869 /nfs/dbraw/zinc/60/08/69/560600869.db2.gz LVXMSVQXNNTVFM-OCCSQVGLSA-N 0 2 364.379 2.365 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2C2CC2)c([N+](=O)[O-])c1 ZINC000461346526 560767632 /nfs/dbraw/zinc/76/76/32/560767632.db2.gz JALJTHFGVXQOMA-UHFFFAOYSA-N 0 2 352.372 2.015 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(OC)c1 ZINC000468547561 560932678 /nfs/dbraw/zinc/93/26/78/560932678.db2.gz JXZACTYKONJCSH-UHFFFAOYSA-N 0 2 366.351 2.191 20 5 FEBDLN O=C(NCc1cccc(N2CCCC2=O)c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000469514111 560956815 /nfs/dbraw/zinc/95/68/15/560956815.db2.gz RJBUMURQNRQZLM-UHFFFAOYSA-N 0 2 355.350 2.357 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c(C)n1 ZINC000469984053 560970655 /nfs/dbraw/zinc/97/06/55/560970655.db2.gz SUKMLNZHTRHVHR-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(C)o1 ZINC000475827497 561106479 /nfs/dbraw/zinc/10/64/79/561106479.db2.gz CVJDXVGQMPKJJI-UHFFFAOYSA-N 0 2 358.303 2.223 20 5 FEBDLN Cc1ccccc1NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000476800209 561128769 /nfs/dbraw/zinc/12/87/69/561128769.db2.gz WYPFIPOJQIHTDH-UHFFFAOYSA-N 0 2 350.352 2.475 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1-c1noc(-c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)n1 ZINC000545690798 562630020 /nfs/dbraw/zinc/63/00/20/562630020.db2.gz DMVSEMMBVXSOEE-UHFFFAOYSA-N 0 2 366.293 2.370 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1csnc1C(=O)OC ZINC000569279162 568329769 /nfs/dbraw/zinc/32/97/69/568329769.db2.gz SVORMCOKVPBSLS-UHFFFAOYSA-N 0 2 371.396 2.201 20 5 FEBDLN O=C([O-])N1CCC[C@@H](OC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)C1 ZINC000740718988 602237486 /nfs/dbraw/zinc/23/74/86/602237486.db2.gz DUMNIWFRQJMDSQ-GFCCVEGCSA-N 0 2 360.326 2.080 20 5 FEBDLN O=C([O-])NC[C@H]1CCC[C@@H]1OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000832489620 603505071 /nfs/dbraw/zinc/50/50/71/603505071.db2.gz GXUKCGDSXKUTCS-DOMZBBRYSA-N 0 2 374.353 2.374 20 5 FEBDLN Cn1ccnc1[C@@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1cccc([N+](=O)[O-])c1 ZINC000833954364 605816598 /nfs/dbraw/zinc/81/65/98/605816598.db2.gz HURMGNGQUCNJIS-ZFWWWQNUSA-N 0 2 359.386 2.150 20 5 FEBDLN Cc1cc(F)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)cc1[N+](=O)[O-] ZINC000812272356 674660773 /nfs/dbraw/zinc/66/07/73/674660773.db2.gz GMJSZOHXSWKHEV-UHFFFAOYSA-N 0 2 354.363 2.454 20 5 FEBDLN CCc1nc(NS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])sc1C ZINC000079283142 670603929 /nfs/dbraw/zinc/60/39/29/670603929.db2.gz RAIIUAYFZNLPHO-UHFFFAOYSA-N 0 2 357.413 2.732 20 5 FEBDLN C[C@H](C(F)(F)F)S(=O)(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000572754885 671040562 /nfs/dbraw/zinc/04/05/62/671040562.db2.gz KSQLHAKJCODRQE-MRVPVSSYSA-N 0 2 365.333 2.489 20 5 FEBDLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609910139 675942663 /nfs/dbraw/zinc/94/26/63/675942663.db2.gz MQPLGONXQBEOIH-UHFFFAOYSA-N 0 2 353.356 2.127 20 5 FEBDLN CCOc1cccc(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 ZINC000610483444 675975077 /nfs/dbraw/zinc/97/50/77/675975077.db2.gz IXTJGOWHRGXNAB-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN CCOC(=O)CC[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000612438365 676082311 /nfs/dbraw/zinc/08/23/11/676082311.db2.gz CGJAMPILNJYRBA-GFCCVEGCSA-N 0 2 350.371 2.496 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)s1 ZINC000594488712 673091476 /nfs/dbraw/zinc/09/14/76/673091476.db2.gz UUDORXVRHTYXKP-SFYZADRCSA-N 0 2 374.362 2.435 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)s1 ZINC000594488713 673092112 /nfs/dbraw/zinc/09/21/12/673092112.db2.gz UUDORXVRHTYXKP-YUMQZZPRSA-N 0 2 374.362 2.435 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c(C)c1[N+](=O)[O-] ZINC000598733327 673604255 /nfs/dbraw/zinc/60/42/55/673604255.db2.gz APABNOCTGUUQQB-SNVBAGLBSA-N 0 2 368.371 2.247 20 5 FEBDLN O=C(c1cccc(Cl)c1[N+](=O)[O-])N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000819970474 675328093 /nfs/dbraw/zinc/32/80/93/675328093.db2.gz LNNTVZJFYFQNHF-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc(N)c([N+](=O)[O-])c2)c(F)cc1[N+](=O)[O-] ZINC000821132251 675417157 /nfs/dbraw/zinc/41/71/57/675417157.db2.gz NDIOPSCZIHSDSY-UHFFFAOYSA-N 0 2 370.318 2.334 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000619507762 676382757 /nfs/dbraw/zinc/38/27/57/676382757.db2.gz MIFWBTYDOCUTBK-UHFFFAOYSA-N 0 2 364.383 2.380 20 5 FEBDLN C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2F)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000840302614 680813530 /nfs/dbraw/zinc/81/35/30/680813530.db2.gz OUBUGASOHSOQJX-LAEOZQHASA-N 0 2 364.299 2.411 20 5 FEBDLN CN(CCCNC(=O)c1ccc([N+](=O)[O-])cc1O)C(=O)OC(C)(C)C ZINC000753990156 680328993 /nfs/dbraw/zinc/32/89/93/680328993.db2.gz PLVXTWCKRAZBHP-UHFFFAOYSA-N 0 2 353.375 2.287 20 5 FEBDLN CCC[C@@H](C(=O)OCC)S(=O)(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000844660900 681072570 /nfs/dbraw/zinc/07/25/70/681072570.db2.gz PBVHQANUQPRFKR-ZDUSSCGKSA-N 0 2 360.388 2.077 20 5 FEBDLN O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000773313256 681135758 /nfs/dbraw/zinc/13/57/58/681135758.db2.gz FUPCXYXCUAPAFS-MRVPVSSYSA-N 0 2 352.734 2.357 20 5 FEBDLN Cc1cc(F)cc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)c1[N+](=O)[O-] ZINC000847078482 681329811 /nfs/dbraw/zinc/32/98/11/681329811.db2.gz JBGWDAMWABTYIO-VIFPVBQESA-N 0 2 350.306 2.151 20 5 FEBDLN C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2F)C[C@@H]1NC(=O)C(F)(F)F ZINC000853986332 682498928 /nfs/dbraw/zinc/49/89/28/682498928.db2.gz FACFLTSJLGLGBS-XCBNKYQSSA-N 0 2 350.272 2.022 20 5 FEBDLN CCOC(=O)N[C@@H](CNC(=O)c1cc(O)ccc1[N+](=O)[O-])CC(C)C ZINC000788281977 682516822 /nfs/dbraw/zinc/51/68/22/682516822.db2.gz OPFHBPUODNMRTC-LLVKDONJSA-N 0 2 353.375 2.191 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000007708115 539463567 /nfs/dbraw/zinc/46/35/67/539463567.db2.gz IRRAJFSPAGBBLL-UHFFFAOYSA-N 0 2 352.324 2.133 20 5 FEBDLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1 ZINC000014256232 539601176 /nfs/dbraw/zinc/60/11/76/539601176.db2.gz PPRBTQJVTUAVTJ-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN O=c1nc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)[nH]c2ccsc21 ZINC000016564681 539633589 /nfs/dbraw/zinc/63/35/89/539633589.db2.gz JJYWIESLUVCDPT-UHFFFAOYSA-N 0 2 371.422 2.215 20 5 FEBDLN CC(=O)[C@@H](C)OC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801386402 674125106 /nfs/dbraw/zinc/12/51/06/674125106.db2.gz IDVYXNRWZCUSHF-MRVPVSSYSA-N 0 2 353.718 2.274 20 5 FEBDLN O=C(CCn1ncc(=O)c2ccccc21)Nc1cc([N+](=O)[O-])ccc1O ZINC000092549407 542869777 /nfs/dbraw/zinc/86/97/77/542869777.db2.gz JYMVZBDPUSRODM-UHFFFAOYSA-N 0 2 354.322 2.039 20 5 FEBDLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(C(N)=O)c(C)c2)cc1C ZINC000103425695 543106100 /nfs/dbraw/zinc/10/61/00/543106100.db2.gz VEBKJABWNPQCBV-UHFFFAOYSA-N 0 2 363.395 2.420 20 5 FEBDLN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc([N+](=O)[O-])c(O)c1 ZINC000130319120 544146562 /nfs/dbraw/zinc/14/65/62/544146562.db2.gz UHZIOELWDCTZBF-OAHLLOKOSA-N 0 2 369.377 2.221 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000142060367 544415727 /nfs/dbraw/zinc/41/57/27/544415727.db2.gz BOHPVROPFXVIKI-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)o2)cc1[N+](=O)[O-] ZINC000153776379 544821519 /nfs/dbraw/zinc/82/15/19/544821519.db2.gz SIOJZJRRENWHSR-UHFFFAOYSA-N 0 2 350.312 2.347 20 5 FEBDLN CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2O)C1 ZINC000182010783 327756944 /nfs/dbraw/zinc/75/69/44/327756944.db2.gz UJNFVBXDZWSTML-LBPRGKRZSA-N 0 2 363.414 2.315 20 5 FEBDLN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)c1cc([N+](=O)[O-])ccc1O ZINC000182100647 327761127 /nfs/dbraw/zinc/76/11/27/327761127.db2.gz ZATRUIKMXSZYKM-JTQLQIEISA-N 0 2 362.773 2.358 20 5 FEBDLN C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1O)n1nnc(-c2ccccc2)n1 ZINC000089540763 325321259 /nfs/dbraw/zinc/32/12/59/325321259.db2.gz QMYOKAJNXRTOBD-JTQLQIEISA-N 0 2 354.326 2.154 20 5 FEBDLN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CCCOC)n1 ZINC000116160586 325996392 /nfs/dbraw/zinc/99/63/92/325996392.db2.gz WBJGLWVRCSDTIU-UHFFFAOYSA-N 0 2 368.415 2.191 20 5 FEBDLN CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000159343999 326928018 /nfs/dbraw/zinc/92/80/18/326928018.db2.gz RMUGWJBXMCHXBS-QWHCGFSZSA-N 0 2 363.414 2.457 20 5 FEBDLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)C1CCN(C(=O)c2ccoc2)CC1 ZINC000166126289 327080551 /nfs/dbraw/zinc/08/05/51/327080551.db2.gz FYYSHFCYWCTFII-UHFFFAOYSA-N 0 2 359.338 2.384 20 5 FEBDLN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000274377051 329943227 /nfs/dbraw/zinc/94/32/27/329943227.db2.gz FMGDQKJSUAZZTH-GFCCVEGCSA-N 0 2 350.371 2.494 20 5 FEBDLN O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2nncs2)c1 ZINC000160587889 546055213 /nfs/dbraw/zinc/05/52/13/546055213.db2.gz ZMASUHOJPDKXPK-UHFFFAOYSA-N 0 2 365.190 2.010 20 5 FEBDLN O=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc([N+](=O)[O-])c(O)c1 ZINC000179236287 546918828 /nfs/dbraw/zinc/91/88/28/546918828.db2.gz JMCCMBOCPCMWSV-AWEZNQCLSA-N 0 2 369.377 2.079 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ncn(-c2ccccc2)n1 ZINC000181360789 547300126 /nfs/dbraw/zinc/30/01/26/547300126.db2.gz OMBHQKAUSDHWIX-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN O=C(NCCc1csc(N2CCCC2)n1)c1ccc([N+](=O)[O-])cc1O ZINC000184785286 547878774 /nfs/dbraw/zinc/87/87/74/547878774.db2.gz CZFXXTDDSMVEPY-UHFFFAOYSA-N 0 2 362.411 2.330 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3[nH]nnc3c2)c2ncccc12 ZINC000184864243 547889510 /nfs/dbraw/zinc/88/95/10/547889510.db2.gz WFJDPVWZGHZYOO-UHFFFAOYSA-N 0 2 370.350 2.215 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)c2ncccc12 ZINC000184864243 547889513 /nfs/dbraw/zinc/88/95/13/547889513.db2.gz WFJDPVWZGHZYOO-UHFFFAOYSA-N 0 2 370.350 2.215 20 5 FEBDLN Cc1nnc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)[nH]1 ZINC000185000604 547915511 /nfs/dbraw/zinc/91/55/11/547915511.db2.gz WHUBSXHZWYIRMK-HNNXBMFYSA-N 0 2 353.338 2.246 20 5 FEBDLN Cc1nc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2O)c2ccccc2)n[nH]1 ZINC000185000604 547915512 /nfs/dbraw/zinc/91/55/12/547915512.db2.gz WHUBSXHZWYIRMK-HNNXBMFYSA-N 0 2 353.338 2.246 20 5 FEBDLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc([N+](=O)[O-])cc1F ZINC000186666371 548169702 /nfs/dbraw/zinc/16/97/02/548169702.db2.gz YIUNFVMEXGORBF-UHFFFAOYSA-N 0 2 371.328 2.361 20 5 FEBDLN CC(C)c1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)o1 ZINC000187041401 548247086 /nfs/dbraw/zinc/24/70/86/548247086.db2.gz ZCANZQPUGBIITA-UHFFFAOYSA-N 0 2 363.355 2.450 20 5 FEBDLN O=C([O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000238033906 548873438 /nfs/dbraw/zinc/87/34/38/548873438.db2.gz CCFASENVSULCCN-MRXNPFEDSA-N 0 2 366.333 2.336 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000269189144 550165531 /nfs/dbraw/zinc/16/55/31/550165531.db2.gz WGVMUJYVMSUPGE-RDJZCZTQSA-N 0 2 372.377 2.265 20 5 FEBDLN CCOc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2COC)cn1 ZINC000273080792 550484171 /nfs/dbraw/zinc/48/41/71/550484171.db2.gz HFNZIMXHZUWTMF-UHFFFAOYSA-N 0 2 367.383 2.336 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000274920674 550565042 /nfs/dbraw/zinc/56/50/42/550565042.db2.gz JFLLVMCHJMGLCW-RDJZCZTQSA-N 0 2 372.377 2.265 20 5 FEBDLN Cc1cc(C)c(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1[N+](=O)[O-] ZINC000278457002 550788228 /nfs/dbraw/zinc/78/82/28/550788228.db2.gz YZVANTOXWAIRTD-NSHDSACASA-N 0 2 368.371 2.247 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)ccc1[N+](=O)[O-] ZINC000278860687 550829841 /nfs/dbraw/zinc/82/98/41/550829841.db2.gz MTYPXMLKGMHADR-CQSZACIVSA-N 0 2 366.399 2.289 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)ccc1[N+](=O)[O-] ZINC000280388054 550988281 /nfs/dbraw/zinc/98/82/81/550988281.db2.gz WMAVTTZXSDYMAM-LLVKDONJSA-N 0 2 366.399 2.321 20 5 FEBDLN CC(C)COC(=O)N1CCCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280823934 551036057 /nfs/dbraw/zinc/03/60/57/551036057.db2.gz SBAJLQCTSSFAQQ-UHFFFAOYSA-N 0 2 365.386 2.241 20 5 FEBDLN CCOC(=O)c1ncc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)s1 ZINC000500769608 561581949 /nfs/dbraw/zinc/58/19/49/561581949.db2.gz RJQDXVHKMZHCKK-UHFFFAOYSA-N 0 2 371.396 2.337 20 5 FEBDLN Cc1c(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000295430640 553005699 /nfs/dbraw/zinc/00/56/99/553005699.db2.gz UVPMEUYRNNJMGI-UHFFFAOYSA-N 0 2 364.305 2.456 20 5 FEBDLN COC(=O)c1cncc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)c1 ZINC000507063650 561715946 /nfs/dbraw/zinc/71/59/46/561715946.db2.gz DURUZEQHWASSNI-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N=c1cccn[nH]1 ZINC000611193497 554613864 /nfs/dbraw/zinc/61/38/64/554613864.db2.gz YITMJSCFTYWDRF-UHFFFAOYSA-N 0 2 362.367 2.292 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2-c2nnc[nH]2)cc1 ZINC000365842704 555680587 /nfs/dbraw/zinc/68/05/87/555680587.db2.gz XYYCXNMYWJERLE-UHFFFAOYSA-N 0 2 363.330 2.320 20 5 FEBDLN Cc1nc(CO[C@H]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)C2)cs1 ZINC000365981898 555717251 /nfs/dbraw/zinc/71/72/51/555717251.db2.gz WLCJOSAOCFBVRE-ZDUSSCGKSA-N 0 2 363.395 2.497 20 5 FEBDLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000513812085 561950715 /nfs/dbraw/zinc/95/07/15/561950715.db2.gz DOFFADXXOQMULU-UHFFFAOYSA-N 0 2 350.352 2.491 20 5 FEBDLN O=C(NC1CCN(Cc2cscn2)CC1)c1ccc([N+](=O)[O-])cc1O ZINC000368413249 556300894 /nfs/dbraw/zinc/30/08/94/556300894.db2.gz RQNVNOIPALSXEZ-UHFFFAOYSA-N 0 2 362.411 2.151 20 5 FEBDLN C[C@H]1C[C@@H](NC(=O)c2cc(O)ccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000368610798 556361319 /nfs/dbraw/zinc/36/13/19/556361319.db2.gz BACNSSSTXWHLOQ-XHDPSFHLSA-N 0 2 355.350 2.224 20 5 FEBDLN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000370469461 556882185 /nfs/dbraw/zinc/88/21/85/556882185.db2.gz MXPBHFYZXFCJEZ-UHFFFAOYSA-N 0 2 360.374 2.447 20 5 FEBDLN O=C1CCOc2ccc(NS(=O)(=O)c3cc(F)ccc3[N+](=O)[O-])cc21 ZINC000373236523 557655613 /nfs/dbraw/zinc/65/56/13/557655613.db2.gz JCOUBPRYHCCSGO-UHFFFAOYSA-N 0 2 366.326 2.500 20 5 FEBDLN O=C(c1ccc([N+](=O)[O-])cc1O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000375286936 558004535 /nfs/dbraw/zinc/00/45/35/558004535.db2.gz LOIBEQQSAWDWSH-SFHVURJKSA-N 0 2 353.334 2.036 20 5 FEBDLN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000376001188 558112047 /nfs/dbraw/zinc/11/20/47/558112047.db2.gz WPECHBMOGVHUOI-CYBMUJFWSA-N 0 2 361.354 2.337 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274748 559660371 /nfs/dbraw/zinc/66/03/71/559660371.db2.gz ZJJVDGBAMPGNAD-BZNIZROVSA-N 0 2 365.386 2.117 20 5 FEBDLN CCOc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2C(=O)[O-])c([N+](=O)[O-])c1 ZINC000424274748 559660372 /nfs/dbraw/zinc/66/03/72/559660372.db2.gz ZJJVDGBAMPGNAD-BZNIZROVSA-N 0 2 365.386 2.117 20 5 FEBDLN Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3ccc([N+](=O)[O-])c(O)c3)n2)c1 ZINC000428370245 559774084 /nfs/dbraw/zinc/77/40/84/559774084.db2.gz OTQRQDYRYPLCNK-JTQLQIEISA-N 0 2 368.353 2.280 20 5 FEBDLN CCc1nc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)sc1C(=O)OC ZINC000436555330 559945388 /nfs/dbraw/zinc/94/53/88/559945388.db2.gz MFTJNDVWAKQXQW-UHFFFAOYSA-N 0 2 351.340 2.358 20 5 FEBDLN O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1O ZINC000436669213 559948313 /nfs/dbraw/zinc/94/83/13/559948313.db2.gz ICXLDLZVZHRTEP-OAHLLOKOSA-N 0 2 355.350 2.226 20 5 FEBDLN COC(=O)[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1O)c1ccc(F)cc1 ZINC000436831520 559953754 /nfs/dbraw/zinc/95/37/54/559953754.db2.gz GTKIERRNXHZCRV-QGZVFWFLSA-N 0 2 362.313 2.258 20 5 FEBDLN COC(=O)COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C)c1 ZINC000436868233 559954841 /nfs/dbraw/zinc/95/48/41/559954841.db2.gz HTGCFWOSPFLFNP-UHFFFAOYSA-N 0 2 360.322 2.413 20 5 FEBDLN O=C(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1O ZINC000436871638 559955135 /nfs/dbraw/zinc/95/51/35/559955135.db2.gz QXQQIDJZVYQMQE-YJBOKZPZSA-N 0 2 360.341 2.336 20 5 FEBDLN CCn1cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c([N+](=O)[O-])n1 ZINC000443420210 560083581 /nfs/dbraw/zinc/08/35/81/560083581.db2.gz UFRYAMXYDZPUSP-QMMMGPOBSA-N 0 2 371.444 2.193 20 5 FEBDLN COc1cc(CN2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)c([N+](=O)[O-])cc1F ZINC000450987668 560281274 /nfs/dbraw/zinc/28/12/74/560281274.db2.gz XFNLZSDZNWIVCQ-LLVKDONJSA-N 0 2 351.338 2.293 20 5 FEBDLN O=C(c1cccc(O)c1[N+](=O)[O-])N1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000452979790 560379775 /nfs/dbraw/zinc/37/97/75/560379775.db2.gz SBABAWCTCROHDM-RDTXWAMCSA-N 0 2 360.341 2.241 20 5 FEBDLN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C1 ZINC000456627703 560526396 /nfs/dbraw/zinc/52/63/96/560526396.db2.gz AGLKWUIGPBZJOG-SNVBAGLBSA-N 0 2 361.320 2.257 20 5 FEBDLN COC(=O)[C@H]1CN(C(=O)c2cc(O)ccc2[N+](=O)[O-])C[C@@H]1c1ccccc1 ZINC000456927929 560538785 /nfs/dbraw/zinc/53/87/85/560538785.db2.gz CZRCUKWFRUBIAU-CVEARBPZSA-N 0 2 370.361 2.329 20 5 FEBDLN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccncc3[N+](=O)[O-])cc(Cl)c2O1 ZINC000461109365 560761805 /nfs/dbraw/zinc/76/18/05/560761805.db2.gz BTUFPZMRQBFYQQ-QMMMGPOBSA-N 0 2 369.786 2.189 20 5 FEBDLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000466960642 560900531 /nfs/dbraw/zinc/90/05/31/560900531.db2.gz BLBBQJMFTCSNJP-UHFFFAOYSA-N 0 2 364.383 2.366 20 5 FEBDLN COC(=O)Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000466975952 560900736 /nfs/dbraw/zinc/90/07/36/560900736.db2.gz GXWHBVIXOXMGJK-UHFFFAOYSA-N 0 2 370.408 2.481 20 5 FEBDLN Cn1cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc(Br)c1=O ZINC000469706812 560962024 /nfs/dbraw/zinc/96/20/24/560962024.db2.gz XTMCPHICPMQTJA-UHFFFAOYSA-N 0 2 368.143 2.014 20 5 FEBDLN CCn1nnnc1-c1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC000469714715 560962350 /nfs/dbraw/zinc/96/23/50/560962350.db2.gz DNGRKBISOJCGGB-UHFFFAOYSA-N 0 2 354.326 2.226 20 5 FEBDLN COc1ccc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1[N+](=O)[O-] ZINC000475832858 561106566 /nfs/dbraw/zinc/10/65/66/561106566.db2.gz NFFTZEWRSWJNHS-UHFFFAOYSA-N 0 2 366.399 2.393 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nncs2)c(Br)c1 ZINC000534901571 562544860 /nfs/dbraw/zinc/54/48/60/562544860.db2.gz RUVKOMDGBMGEIN-UHFFFAOYSA-N 0 2 365.190 2.010 20 5 FEBDLN Cc1ccc(NC(=O)c2cccc(O)c2[N+](=O)[O-])cc1NS(C)(=O)=O ZINC000537260471 562588936 /nfs/dbraw/zinc/58/89/36/562588936.db2.gz GYATUEQYMYLPDU-UHFFFAOYSA-N 0 2 365.367 2.233 20 5 FEBDLN O=C(Nc1ccccc1CN1CCNC1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000537263318 562588954 /nfs/dbraw/zinc/58/89/54/562588954.db2.gz MLYDHEVITXXGGL-UHFFFAOYSA-N 0 2 356.338 2.078 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc2c1COC2=O ZINC000808126686 674443095 /nfs/dbraw/zinc/44/30/95/674443095.db2.gz DHTRDUOMFYDTSP-UHFFFAOYSA-N 0 2 364.335 2.075 20 5 FEBDLN O=C([O-])c1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000833301186 600960284 /nfs/dbraw/zinc/96/02/84/600960284.db2.gz QWROWYUPHMFWJO-MRXNPFEDSA-N 0 2 370.365 2.291 20 5 FEBDLN O=C([O-])c1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)cc([N+](=O)[O-])c1 ZINC000833301186 600960286 /nfs/dbraw/zinc/96/02/86/600960286.db2.gz QWROWYUPHMFWJO-MRXNPFEDSA-N 0 2 370.365 2.291 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2cnccc2-n2cccn2)cc1[N+](=O)[O-] ZINC000609321977 675918005 /nfs/dbraw/zinc/91/80/05/675918005.db2.gz RFFQJBOOFNRXLF-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)cn1 ZINC000577889618 671626960 /nfs/dbraw/zinc/62/69/60/671626960.db2.gz IFQBYCFFTYABBR-UHFFFAOYSA-N 0 2 365.367 2.194 20 5 FEBDLN Cc1cc(S(=O)(=O)Nc2ccc(NC(N)=O)cc2)c(F)cc1[N+](=O)[O-] ZINC000590597934 672594881 /nfs/dbraw/zinc/59/48/81/672594881.db2.gz APNQXOPELZJVOQ-UHFFFAOYSA-N 0 2 368.346 2.334 20 5 FEBDLN Cc1ccc(-c2nsc(NC(=O)c3nn(C)cc3[N+](=O)[O-])n2)s1 ZINC000539025502 673470908 /nfs/dbraw/zinc/47/09/08/673470908.db2.gz NGAOZXRHIGSBHI-UHFFFAOYSA-N 0 2 350.385 2.469 20 5 FEBDLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cc([N+](=O)[O-])c[nH]c1=O ZINC000542446472 673582679 /nfs/dbraw/zinc/58/26/79/673582679.db2.gz RAVBMKBFTJFNKG-UHFFFAOYSA-N 0 2 360.717 2.386 20 5 FEBDLN C[C@@](O)(C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)CC1)C(F)(F)F ZINC000548466818 673960961 /nfs/dbraw/zinc/96/09/61/673960961.db2.gz BAGFDBCTWSAHTP-CQSZACIVSA-N 0 2 362.304 2.466 20 5 FEBDLN COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c(OC)n1 ZINC000604471235 675805267 /nfs/dbraw/zinc/80/52/67/675805267.db2.gz MXGMYFLMQQPVRB-UHFFFAOYSA-N 0 2 353.356 2.116 20 5 FEBDLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000830820696 677063096 /nfs/dbraw/zinc/06/30/96/677063096.db2.gz GSZDAJIPQKDCJH-CYBMUJFWSA-N 0 2 363.267 2.017 20 5 FEBDLN O=C(NCCc1n[nH]c(=S)o1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000841423178 680880224 /nfs/dbraw/zinc/88/02/24/680880224.db2.gz ULWUIZWNMMPWQT-UHFFFAOYSA-N 0 2 362.289 2.258 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)o1 ZINC000775099212 681274505 /nfs/dbraw/zinc/27/45/05/681274505.db2.gz DNMVXXRAINRSNO-UHFFFAOYSA-N 0 2 366.277 2.192 20 5 FEBDLN CO[C@H](C)c1nsc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000788213780 682511540 /nfs/dbraw/zinc/51/15/40/682511540.db2.gz MMWLTLVPYVMVMO-MRVPVSSYSA-N 0 2 358.401 2.263 20 5 FEBDLN C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1NC(=O)C(F)(F)F ZINC000856418358 682779820 /nfs/dbraw/zinc/77/98/20/682779820.db2.gz CNFWFCNRRKAGEO-APPZFPTMSA-N 0 2 365.333 2.185 20 5 FEBDLN Cc1noc([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)n1 ZINC000795811462 683094600 /nfs/dbraw/zinc/09/46/00/683094600.db2.gz SLSWMMHFBHGIIK-YFKPBYRVSA-N 0 2 364.742 2.118 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765965 686905605 /nfs/dbraw/zinc/90/56/05/686905605.db2.gz JKAXDHXMQZSYHR-CQSZACIVSA-N 0 2 361.320 2.246 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879765965 686905608 /nfs/dbraw/zinc/90/56/08/686905608.db2.gz JKAXDHXMQZSYHR-CQSZACIVSA-N 0 2 361.320 2.246 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000014256233 539601186 /nfs/dbraw/zinc/60/11/86/539601186.db2.gz LDNHNDFWBTWDSF-UHFFFAOYSA-N 0 2 368.367 2.421 20 5 FEBDLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000055564322 540659413 /nfs/dbraw/zinc/65/94/13/540659413.db2.gz ISGQARUZJNACRV-UHFFFAOYSA-N 0 2 370.408 2.108 20 5 FEBDLN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000055611571 540663965 /nfs/dbraw/zinc/66/39/65/540663965.db2.gz JTFYONFYHZJBSP-UHFFFAOYSA-N 0 2 363.395 2.454 20 5 FEBDLN CNC(=O)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1Cl ZINC000055648506 540667862 /nfs/dbraw/zinc/66/78/62/540667862.db2.gz ALGJXNPBXRPAJK-UHFFFAOYSA-N 0 2 369.786 2.409 20 5 FEBDLN COC(=O)CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cc1 ZINC000064666037 541214545 /nfs/dbraw/zinc/21/45/45/541214545.db2.gz CIPYPYZYBRSSPL-UHFFFAOYSA-N 0 2 360.322 2.495 20 5 FEBDLN O=[N+]([O-])c1ccc(NCCO)c(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000072071328 541782474 /nfs/dbraw/zinc/78/24/74/541782474.db2.gz GCSHVJNRYCJCLN-UHFFFAOYSA-N 0 2 373.337 2.078 20 5 FEBDLN O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1[O-] ZINC000130379045 544148875 /nfs/dbraw/zinc/14/88/75/544148875.db2.gz YWWHQFHRNRWXTH-KRWDZBQOSA-N 0 2 371.393 2.104 20 5 FEBDLN O=C(NCc1ccccc1Cn1cccn1)c1cc([N+](=O)[O-])ccc1O ZINC000179401791 327641032 /nfs/dbraw/zinc/64/10/32/327641032.db2.gz PLRWXVLMUAHTDQ-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN O=C(N[C@@H]1CCN(C(=O)C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1O ZINC000184368062 327864526 /nfs/dbraw/zinc/86/45/26/327864526.db2.gz ZGRIVKTUDYXTGZ-CYBMUJFWSA-N 0 2 361.398 2.211 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c2ncccc12 ZINC000185692096 327928147 /nfs/dbraw/zinc/92/81/47/327928147.db2.gz ZMBIOBJBKMQOLY-UHFFFAOYSA-N 0 2 361.339 2.204 20 5 FEBDLN CCc1cc(N2CCC[C@H](NC(=O)c3ccc([N+](=O)[O-])c(O)c3)C2)ncn1 ZINC000112507825 325787036 /nfs/dbraw/zinc/78/70/36/325787036.db2.gz HDCWEEZJRZLJOB-AWEZNQCLSA-N 0 2 371.397 2.052 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000118301422 326087497 /nfs/dbraw/zinc/08/74/97/326087497.db2.gz HZGSVLNMAPAKIQ-UHFFFAOYSA-N 0 2 364.305 2.463 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2cc(C(N)=O)ccc2C)cc1[N+](=O)[O-] ZINC000119101039 326126753 /nfs/dbraw/zinc/12/67/53/326126753.db2.gz GTCAYMWGTXXECW-UHFFFAOYSA-N 0 2 355.397 2.173 20 5 FEBDLN O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cc([N+](=O)[O-])ccc1O ZINC000120886089 326296396 /nfs/dbraw/zinc/29/63/96/326296396.db2.gz BZCCHKAYHKVCAJ-UHFFFAOYSA-N 0 2 368.349 2.498 20 5 FEBDLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160001749 326950169 /nfs/dbraw/zinc/95/01/69/326950169.db2.gz IHQGESSWDRQMRE-UHFFFAOYSA-N 0 2 352.350 2.475 20 5 FEBDLN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000172315956 327195057 /nfs/dbraw/zinc/19/50/57/327195057.db2.gz RREMLGLEQSFEDD-UHFFFAOYSA-N 0 2 355.397 2.233 20 5 FEBDLN COc1ccccc1[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000367093630 330216068 /nfs/dbraw/zinc/21/60/68/330216068.db2.gz UORNWGYBTVZVBX-AWEZNQCLSA-N 0 2 357.366 2.096 20 5 FEBDLN COc1ccccc1N1CC[C@H](NC(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000155568470 545543662 /nfs/dbraw/zinc/54/36/62/545543662.db2.gz AIWUBOXRBMDBJF-ZDUSSCGKSA-N 0 2 357.366 2.318 20 5 FEBDLN O=[N+]([O-])c1cc(Br)ccc1S(=O)(=O)Nc1nncs1 ZINC000160570287 546052564 /nfs/dbraw/zinc/05/25/64/546052564.db2.gz HMAFVISVCYTUGN-UHFFFAOYSA-N 0 2 365.190 2.010 20 5 FEBDLN Cc1ccc(NCCCNC(=O)c2cccc3[nH]nnc32)c([N+](=O)[O-])c1 ZINC000180051750 547043958 /nfs/dbraw/zinc/04/39/58/547043958.db2.gz LIWJYRUVQJENRS-UHFFFAOYSA-N 0 2 354.370 2.407 20 5 FEBDLN COc1ccc(O)c(NS(=O)(=O)c2cc(F)c(OC)c([N+](=O)[O-])c2)c1 ZINC000488299438 561387683 /nfs/dbraw/zinc/38/76/83/561387683.db2.gz NMRNPYYSSKDIKA-UHFFFAOYSA-N 0 2 372.330 2.258 20 5 FEBDLN O=C(NC[C@@H](CO)c1ccccc1Cl)c1cccc(O)c1[N+](=O)[O-] ZINC000489722677 561417883 /nfs/dbraw/zinc/41/78/83/561417883.db2.gz RGJROVUKBJLWAV-JTQLQIEISA-N 0 2 350.758 2.460 20 5 FEBDLN COCCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC ZINC000254449177 549700115 /nfs/dbraw/zinc/70/01/15/549700115.db2.gz NHDUOFVZQXAHKT-HYXAFXHYSA-N 0 2 363.326 2.000 20 5 FEBDLN C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000263119558 549878984 /nfs/dbraw/zinc/87/89/84/549878984.db2.gz FCBFLXIQTIGCSH-AAEUAGOBSA-N 0 2 358.354 2.106 20 5 FEBDLN CCCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)s1 ZINC000268414132 550061675 /nfs/dbraw/zinc/06/16/75/550061675.db2.gz JQSXIYIHIDIIFQ-UHFFFAOYSA-N 0 2 358.401 2.208 20 5 FEBDLN CC(C)Sc1n[nH]c(NS(=O)(=O)Cc2ccccc2[N+](=O)[O-])n1 ZINC000494104712 561462625 /nfs/dbraw/zinc/46/26/25/561462625.db2.gz FOZZHTCZAQRLMJ-UHFFFAOYSA-N 0 2 357.417 2.155 20 5 FEBDLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)c1[N+](=O)[O-] ZINC000278444539 550786886 /nfs/dbraw/zinc/78/68/86/550786886.db2.gz WPAVNBVACMQAAX-SNVBAGLBSA-N 0 2 368.371 2.247 20 5 FEBDLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000280871208 551041099 /nfs/dbraw/zinc/04/10/99/551041099.db2.gz XWXYPZBZSDMKTC-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN C[C@@H](c1cccnc1)N1CCN(C(=O)c2cccc(O)c2[N+](=O)[O-])CC1 ZINC000280871208 551041101 /nfs/dbraw/zinc/04/11/01/551041101.db2.gz XWXYPZBZSDMKTC-ZDUSSCGKSA-N 0 2 356.382 2.214 20 5 FEBDLN O=C(C[C@H]1COCCN1C(=O)c1cccc(O)c1[N+](=O)[O-])c1ccco1 ZINC000281379165 551090134 /nfs/dbraw/zinc/09/01/34/551090134.db2.gz XCPNCAVMJVLYLI-NSHDSACASA-N 0 2 360.322 2.007 20 5 FEBDLN CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000285899000 551825163 /nfs/dbraw/zinc/82/51/63/551825163.db2.gz HLIYKOXVKWRDKW-GFCCVEGCSA-N 0 2 351.359 2.041 20 5 FEBDLN CC(C)OCc1nc([C@@H](C)NC(=O)c2cccc(O)c2[N+](=O)[O-])no1 ZINC000292059407 552689423 /nfs/dbraw/zinc/68/94/23/552689423.db2.gz UHOJQVQMKPJOLZ-SECBINFHSA-N 0 2 350.331 2.099 20 5 FEBDLN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc([N+](=O)[O-])s1 ZINC000292631366 552744618 /nfs/dbraw/zinc/74/46/18/552744618.db2.gz VSTRRRYLXOVMDN-HTQZYQBOSA-N 0 2 365.333 2.328 20 5 FEBDLN COCCCn1cc(C)c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000296725050 553203451 /nfs/dbraw/zinc/20/34/51/553203451.db2.gz NJTFLWKKPJBESY-UHFFFAOYSA-N 0 2 368.415 2.245 20 5 FEBDLN C[C@H](NC(=O)c1cc(O)ccc1[N+](=O)[O-])c1ccc(-n2cncn2)cc1 ZINC000505230459 561668358 /nfs/dbraw/zinc/66/83/58/561668358.db2.gz NEGMEODWYCGFPN-NSHDSACASA-N 0 2 353.338 2.372 20 5 FEBDLN COC(=O)c1cc(NS(=O)(=O)c2cncc(Cl)c2)cc([N+](=O)[O-])c1 ZINC000507008076 561713857 /nfs/dbraw/zinc/71/38/57/561713857.db2.gz RKQDWPBLVCNNKX-UHFFFAOYSA-N 0 2 371.758 2.231 20 5 FEBDLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000507018886 561714024 /nfs/dbraw/zinc/71/40/24/561714024.db2.gz BHMQMNWGZPQBMO-UHFFFAOYSA-N 0 2 350.352 2.434 20 5 FEBDLN O=[N+]([O-])c1cc(Br)cc(NS(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000330545035 554135925 /nfs/dbraw/zinc/13/59/25/554135925.db2.gz ZLDDPJXKRHVQNV-NSHDSACASA-N 0 2 365.205 2.278 20 5 FEBDLN O=[N+]([O-])c1ccc(-c2nc(CS(=O)(=O)c3ccccc3)no2)cc1O ZINC000350393668 554785931 /nfs/dbraw/zinc/78/59/31/554785931.db2.gz PJEBURTVCOHFFY-UHFFFAOYSA-N 0 2 361.335 2.324 20 5 FEBDLN O=C(c1cc(O)ccc1[N+](=O)[O-])N1CCC(c2nnc3ccccn32)CC1 ZINC000366003587 555724117 /nfs/dbraw/zinc/72/41/17/555724117.db2.gz MDWDFZXTCLXXHL-UHFFFAOYSA-N 0 2 367.365 2.363 20 5 FEBDLN CC(C)COC(=O)N1CCCN(C(=O)c2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000368453426 556313708 /nfs/dbraw/zinc/31/37/08/556313708.db2.gz GDNZXRLIMYUQRS-UHFFFAOYSA-N 0 2 365.386 2.241 20 5 FEBDLN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc([N+](=O)[O-])ccc2O)C1=O ZINC000373166830 557642633 /nfs/dbraw/zinc/64/26/33/557642633.db2.gz NQRFQZCKAUUMCA-JTQLQIEISA-N 0 2 357.322 2.053 20 5 FEBDLN O=C(N[C@H]1CCCN(c2ccccc2F)C1=O)c1cccc(O)c1[N+](=O)[O-] ZINC000374054805 557814895 /nfs/dbraw/zinc/81/48/95/557814895.db2.gz YDBDFYCIVFKRRI-ZDUSSCGKSA-N 0 2 373.340 2.365 20 5 FEBDLN C[C@@H](C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1)c1ccc([N+](=O)[O-])cc1F ZINC000412323003 559027895 /nfs/dbraw/zinc/02/78/95/559027895.db2.gz GTSOUDRSYWJFFB-ZJUUUORDSA-N 0 2 363.349 2.067 20 5 FEBDLN C[C@H]1CCCN(C(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)[C@H]1C(=O)[O-] ZINC000424258978 559659621 /nfs/dbraw/zinc/65/96/21/559659621.db2.gz OINFGLYKCNAJSJ-XHDPSFHLSA-N 0 2 358.354 2.106 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000435723905 559928832 /nfs/dbraw/zinc/92/88/32/559928832.db2.gz VMXKNMPSZUMJSR-UHFFFAOYSA-N 0 2 350.278 2.446 20 5 FEBDLN COC(=O)c1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2O)c(OC)c1 ZINC000436709029 559949510 /nfs/dbraw/zinc/94/95/10/559949510.db2.gz WXVVADDYAIVEJG-UHFFFAOYSA-N 0 2 374.349 2.068 20 5 FEBDLN COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436714313 559949858 /nfs/dbraw/zinc/94/98/58/559949858.db2.gz HVLWFDSQVVXFCY-IUODEOHRSA-N 0 2 372.377 2.451 20 5 FEBDLN COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000436961087 559957461 /nfs/dbraw/zinc/95/74/61/559957461.db2.gz ADRAWZAHCFGFMD-OAHLLOKOSA-N 0 2 356.334 2.041 20 5 FEBDLN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(O)c([N+](=O)[O-])c1 ZINC000436965925 559957729 /nfs/dbraw/zinc/95/77/29/559957729.db2.gz USRNOWHSUJKINQ-UHFFFAOYSA-N 0 2 359.338 2.263 20 5 FEBDLN O=C(N[C@H](Cc1ccccc1)[C@@H](O)C(F)F)c1ccc([N+](=O)[O-])cc1O ZINC000436999837 559959239 /nfs/dbraw/zinc/95/92/39/559959239.db2.gz RYPKHWBKDCCJGY-UKRRQHHQSA-N 0 2 366.320 2.268 20 5 FEBDLN C[C@@H](NC(=O)CCc1ccccc1)C(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000442894859 560061082 /nfs/dbraw/zinc/06/10/82/560061082.db2.gz VVPRGIZNXATOGV-GFCCVEGCSA-N 0 2 357.366 2.376 20 5 FEBDLN O=C(CSc1n[nH]c(=O)[nH]1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000446051727 560138756 /nfs/dbraw/zinc/13/87/56/560138756.db2.gz GTYMEJYXERMHCD-UHFFFAOYSA-N 0 2 363.277 2.168 20 5 FEBDLN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2O)C1 ZINC000446432270 560145900 /nfs/dbraw/zinc/14/59/00/560145900.db2.gz VFYXLBSOXIGFPY-QGZVFWFLSA-N 0 2 350.371 2.352 20 5 FEBDLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)cc1 ZINC000446955507 560154124 /nfs/dbraw/zinc/15/41/24/560154124.db2.gz BMGXAQJCLZJJIP-UHFFFAOYSA-N 0 2 366.380 2.431 20 5 FEBDLN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000456658461 560527652 /nfs/dbraw/zinc/52/76/52/560527652.db2.gz RLJYRGXCTOGZIU-NWDGAFQWSA-N 0 2 369.377 2.397 20 5 FEBDLN C[C@@H]1CN(CC(F)(F)F)CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)C1 ZINC000456729304 560531032 /nfs/dbraw/zinc/53/10/32/560531032.db2.gz JOHVEIPZUFCGTC-SNVBAGLBSA-N 0 2 361.320 2.257 20 5 FEBDLN CCOc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1OCC ZINC000461107714 560761548 /nfs/dbraw/zinc/76/15/48/560761548.db2.gz NDESSVNTLMDSJC-UHFFFAOYSA-N 0 2 367.383 2.010 20 5 FEBDLN Cc1ccc(S(=O)(=O)Nc2ccncc2[N+](=O)[O-])cc1Br ZINC000461116627 560761916 /nfs/dbraw/zinc/76/19/16/560761916.db2.gz YVDSLHQMFZPYRA-UHFFFAOYSA-N 0 2 372.200 2.283 20 5 FEBDLN Cc1sc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1[N+](=O)[O-] ZINC000466967701 560900587 /nfs/dbraw/zinc/90/05/87/560900587.db2.gz QEQBEEPREUYGAM-UHFFFAOYSA-N 0 2 369.424 2.467 20 5 FEBDLN COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1O ZINC000468355741 560927825 /nfs/dbraw/zinc/92/78/25/560927825.db2.gz IHNWRFRFQNPDPD-UHFFFAOYSA-N 0 2 370.314 2.027 20 5 FEBDLN COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Cl)cnc1N ZINC000533169164 562500239 /nfs/dbraw/zinc/50/02/39/562500239.db2.gz CHVNDEFXLQBRTM-UHFFFAOYSA-N 0 2 358.763 2.035 20 5 FEBDLN CC(C)c1nnc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])[nH]1 ZINC000534980500 562546804 /nfs/dbraw/zinc/54/68/04/562546804.db2.gz UABVWTMTDXBGSM-MRVPVSSYSA-N 0 2 357.367 2.015 20 5 FEBDLN CC(C)c1nc([C@@H](C)NS(=O)(=O)c2c(F)cccc2[N+](=O)[O-])n[nH]1 ZINC000534980500 562546805 /nfs/dbraw/zinc/54/68/05/562546805.db2.gz UABVWTMTDXBGSM-MRVPVSSYSA-N 0 2 357.367 2.015 20 5 FEBDLN NC(=O)N[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000535516748 562560275 /nfs/dbraw/zinc/56/02/75/562560275.db2.gz QPXSGJPQZUIMSW-SNVBAGLBSA-N 0 2 350.356 2.100 20 5 FEBDLN NC(=O)N[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)c1cccs1 ZINC000535516746 562560370 /nfs/dbraw/zinc/56/03/70/562560370.db2.gz QPXSGJPQZUIMSW-JTQLQIEISA-N 0 2 350.356 2.100 20 5 FEBDLN CC(=O)Nc1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000540963173 562598586 /nfs/dbraw/zinc/59/85/86/562598586.db2.gz VSGPGNSEBYZDAU-UHFFFAOYSA-N 0 2 359.338 2.068 20 5 FEBDLN O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549767805 562639444 /nfs/dbraw/zinc/63/94/44/562639444.db2.gz HAOJJDQCIGFKQJ-MRVPVSSYSA-N 0 2 351.750 2.092 20 5 FEBDLN CO[C@@H](C)CS(=O)(=O)Nc1cc(Br)cc([N+](=O)[O-])c1 ZINC000568304199 568001734 /nfs/dbraw/zinc/00/17/34/568001734.db2.gz CYMJXGYWQWWYPI-ZETCQYMHSA-N 0 2 353.194 2.134 20 5 FEBDLN CCN1CCc2nc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000568883297 568244372 /nfs/dbraw/zinc/24/43/72/568244372.db2.gz VSIBCOFWJTYTEI-UHFFFAOYSA-N 0 2 368.440 2.230 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000569278954 568329605 /nfs/dbraw/zinc/32/96/05/568329605.db2.gz NHIBNTZKHNGAEY-UHFFFAOYSA-N 0 2 367.774 2.400 20 5 FEBDLN C[C@H](C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1)c1ccc([N+](=O)[O-])cc1F ZINC000569579264 568408374 /nfs/dbraw/zinc/40/83/74/568408374.db2.gz IYJGGOBICHEQEF-VIFPVBQESA-N 0 2 363.349 2.067 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000740154863 602388598 /nfs/dbraw/zinc/38/85/98/602388598.db2.gz XEENZXQYMQNYIJ-UHFFFAOYSA-N 0 2 364.402 2.164 20 5 FEBDLN O=C([O-])NCC1(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CCCC1 ZINC000740613855 602443434 /nfs/dbraw/zinc/44/34/34/602443434.db2.gz XIEFHAKCGCSSTH-UHFFFAOYSA-N 0 2 373.369 2.091 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000830138084 603555382 /nfs/dbraw/zinc/55/53/82/603555382.db2.gz KJJYQGKMFSDAAK-WFASDCNBSA-N 0 2 364.402 2.352 20 5 FEBDLN Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)[O-] ZINC000830138084 603555384 /nfs/dbraw/zinc/55/53/84/603555384.db2.gz KJJYQGKMFSDAAK-WFASDCNBSA-N 0 2 364.402 2.352 20 5 FEBDLN C[C@H]1CN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000828488401 604270881 /nfs/dbraw/zinc/27/08/81/604270881.db2.gz UXIUGPSWWPLGFV-BONVTDFDSA-N 0 2 369.805 2.103 20 5 FEBDLN C[C@H]1C[C@H](NC(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000825831648 605851713 /nfs/dbraw/zinc/85/17/13/605851713.db2.gz MPARZMQYPKYWBT-WCQYABFASA-N 0 2 373.369 2.041 20 5 FEBDLN C[C@@H]1C[C@@H](NC(=O)[O-])CCN1C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000825831649 605851984 /nfs/dbraw/zinc/85/19/84/605851984.db2.gz MPARZMQYPKYWBT-YPMHNXCESA-N 0 2 373.369 2.041 20 5 FEBDLN Cc1cccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)c1-c1nn[nH]n1 ZINC000826304102 608754926 /nfs/dbraw/zinc/75/49/26/608754926.db2.gz WBQHTTQPMSGBGC-UHFFFAOYSA-N 0 2 374.382 2.193 20 5 FEBDLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccccn2)cc([N+](=O)[O-])c1C ZINC000609720624 675934364 /nfs/dbraw/zinc/93/43/64/675934364.db2.gz YKKFFIBDMMNNRV-UHFFFAOYSA-N 0 2 365.367 2.276 20 5 FEBDLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccn2)c1 ZINC000610058754 675949163 /nfs/dbraw/zinc/94/91/63/675949163.db2.gz QPYQKQREZNBJMN-UHFFFAOYSA-N 0 2 359.367 2.285 20 5 FEBDLN CO[C@@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)C(C)C ZINC000592351825 672790585 /nfs/dbraw/zinc/79/05/85/672790585.db2.gz CLNRDQWZHJWYFH-AWEZNQCLSA-N 0 2 368.415 2.398 20 5 FEBDLN CO[C@@H](CS(=O)(=O)Nc1cc(-c2cccc([N+](=O)[O-])c2)[nH]n1)C(C)C ZINC000592351825 672790589 /nfs/dbraw/zinc/79/05/89/672790589.db2.gz CLNRDQWZHJWYFH-AWEZNQCLSA-N 0 2 368.415 2.398 20 5 FEBDLN O=C([O-])c1cc(N2CCC[N@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000592972064 672860402 /nfs/dbraw/zinc/86/04/02/672860402.db2.gz QYLQBCJVHCIPMD-UHFFFAOYSA-N 0 2 362.411 2.462 20 5 FEBDLN O=C([O-])c1cc(N2CCC[N@@H+](Cc3cscn3)CC2)ccc1[N+](=O)[O-] ZINC000592972064 672860407 /nfs/dbraw/zinc/86/04/07/672860407.db2.gz QYLQBCJVHCIPMD-UHFFFAOYSA-N 0 2 362.411 2.462 20 5 FEBDLN COC(=O)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1O)c1cccs1 ZINC000612423385 676081495 /nfs/dbraw/zinc/08/14/95/676081495.db2.gz QTYWAPHHELTBKO-LLVKDONJSA-N 0 2 350.352 2.396 20 5 FEBDLN CCCCC(=O)N1CSC[C@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC000539970432 673516707 /nfs/dbraw/zinc/51/67/07/673516707.db2.gz BIASSKGNBFBMKG-LBPRGKRZSA-N 0 2 353.400 2.331 20 5 FEBDLN CCn1cc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c([N+](=O)[O-])n1 ZINC000546177399 673795480 /nfs/dbraw/zinc/79/54/80/673795480.db2.gz NWBPRXOZNHLXEQ-UHFFFAOYSA-N 0 2 370.353 2.355 20 5 FEBDLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818331702 675215030 /nfs/dbraw/zinc/21/50/30/675215030.db2.gz XQLQEOIXWSBHEF-XPTSAGLGSA-N 0 2 355.778 2.372 20 5 FEBDLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C(=O)[O-] ZINC000818331702 675215032 /nfs/dbraw/zinc/21/50/32/675215032.db2.gz XQLQEOIXWSBHEF-XPTSAGLGSA-N 0 2 355.778 2.372 20 5 FEBDLN CCOc1ncccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000619466667 676378165 /nfs/dbraw/zinc/37/81/65/676378165.db2.gz INAHCWWXMDMGJV-UHFFFAOYSA-N 0 2 353.356 2.198 20 5 FEBDLN COc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc2c(cc1C)OCO2 ZINC000619468125 676378411 /nfs/dbraw/zinc/37/84/11/676378411.db2.gz YLTCDXIPGCPPHX-UHFFFAOYSA-N 0 2 366.351 2.441 20 5 FEBDLN COc1cc(S(=O)(=O)Nc2ccc(C)nc2N(C)C)ccc1[N+](=O)[O-] ZINC000749754774 680072702 /nfs/dbraw/zinc/07/27/02/680072702.db2.gz UXFNFBBHMISWSO-UHFFFAOYSA-N 0 2 366.399 2.174 20 5 FEBDLN CC(C)(C)OC(=O)N1CC(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000753702805 680310329 /nfs/dbraw/zinc/31/03/29/680310329.db2.gz PKIORUUCDYLERE-UHFFFAOYSA-N 0 2 351.359 2.496 20 5 FEBDLN Cc1cnc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nc1 ZINC000758428320 680578800 /nfs/dbraw/zinc/57/88/00/680578800.db2.gz HACXMAUQPDXBPF-UHFFFAOYSA-N 0 2 373.188 2.257 20 5 FEBDLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2ccc(I)cc2)no1 ZINC000842491664 680950693 /nfs/dbraw/zinc/95/06/93/680950693.db2.gz SNHGBYIJYIEILA-RKDXNWHRSA-N 0 2 357.107 2.474 20 5 FEBDLN O=[N+]([O-])c1ccc(Cc2noc([C@@H]3C[C@H]3[N+](=O)[O-])n2)c(Br)c1 ZINC000842494925 680950845 /nfs/dbraw/zinc/95/08/45/680950845.db2.gz IQUKUTPFGQQATH-PSASIEDQSA-N 0 2 369.131 2.464 20 5 FEBDLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000768882971 680963202 /nfs/dbraw/zinc/96/32/02/680963202.db2.gz RWWJAFWCSILISN-UHFFFAOYSA-N 0 2 372.380 2.252 20 5 FEBDLN COCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000769674178 680991140 /nfs/dbraw/zinc/99/11/40/680991140.db2.gz UVNYCBUYDYZFMW-UHFFFAOYSA-N 0 2 367.339 2.450 20 5 FEBDLN O=C(c1cccc(Cl)c1O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000775656394 681322065 /nfs/dbraw/zinc/32/20/65/681322065.db2.gz SMBFWNWZWMEADV-UHFFFAOYSA-N 0 2 362.773 2.311 20 5 FEBDLN CCOC(=O)c1sc2nc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])sc2c1C ZINC000847116982 681334509 /nfs/dbraw/zinc/33/45/09/681334509.db2.gz RUWDLANQIFQNRA-RNFRBKRXSA-N 0 2 355.397 2.447 20 5 FEBDLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)cs1 ZINC000795664199 683078649 /nfs/dbraw/zinc/07/86/49/683078649.db2.gz VUIVVAIJHJJOQI-UHFFFAOYSA-N 0 2 366.380 2.431 20 5 FEBDLN O=[N+]([O-])c1cc(Cl)c(F)c(S(=O)(=O)NCCOC(F)(F)F)c1 ZINC000795944379 683111236 /nfs/dbraw/zinc/11/12/36/683111236.db2.gz JLVSHSFECQMKHN-UHFFFAOYSA-N 0 2 366.676 2.202 20 5 FEBDLN Cc1cc(S(=O)(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)c([N+](=O)[O-])s1 ZINC000921855205 683595228 /nfs/dbraw/zinc/59/52/28/683595228.db2.gz RRXHZXWBJPXMIJ-APPZFPTMSA-N 0 2 374.362 2.210 20 5 FEBDLN